- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=0.5 volume=0.001 rsupport=0.75 tsupport=1.0
        0 quality=0.2 violation=1.5
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.943, support = 3.35, residual support = 47.8:
      O   HA    MET   11 - HN    MET   11   2.81 +/- 0.16  82.925% * 91.9910% (0.95  10.0   3.36  48.29) =  98.631%  kept
          HA    ALA   12 - HN    MET   11   5.24 +/- 0.47  14.214% *  7.4380% (0.73   1.0   2.11  11.89) =   1.367%  kept
          HA    GLU-  14 - HN    MET   11  11.25 +/- 0.69   1.369% *  0.0590% (0.61   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    MET   11  21.65 +/- 5.02   0.567% *  0.0300% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  28.73 +/- 4.73   0.177% *  0.0898% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  31.42 +/- 6.54   0.126% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  31.04 +/- 6.22   0.129% *  0.0743% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  29.55 +/- 5.96   0.172% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  37.18 +/- 5.68   0.051% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  35.46 +/- 6.49   0.062% *  0.0668% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.55 +/- 6.35   0.132% *  0.0242% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  37.22 +/- 7.09   0.076% *  0.0217% (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 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.576, support = 2.78, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.67 +/- 0.27  44.433% * 68.6590% (0.71  10.0   2.38  12.48) =  64.713%  kept
      O   HA    MET   11 - HN    ALA   12   2.49 +/- 0.17  53.560% * 31.0568% (0.32  10.0   3.50  11.89) =  35.284%  kept
          HA    GLU-  14 - HN    ALA   12   8.30 +/- 0.89   1.708% *  0.0691% (0.72   1.0   0.02   0.02) =   0.003%
          HA    LEU  104 - HN    ALA   12  30.30 +/- 6.04   0.063% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  33.56 +/- 5.96   0.031% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  26.32 +/- 3.68   0.052% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.75 +/- 6.01   0.080% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  29.33 +/- 5.87   0.050% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  35.22 +/- 4.99   0.022% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.136, support = 1.72, residual support = 5.2:
      O   HA    ALA   12 - HN    SER   13   2.46 +/- 0.21  88.255% * 87.3830% (0.14  10.0   1.72   5.18) =  98.407%  kept
          HA    GLU-  14 - HN    SER   13   5.05 +/- 0.45  11.362% * 10.9767% (0.20   1.0   1.48   6.62) =   1.591%  kept
          HA    LEU  104 - HN    SER   13  27.64 +/- 5.83   0.146% *  0.3947% (0.53   1.0   0.02   0.02) =   0.001%
          HA    TRP   87 - HN    SER   13  30.76 +/- 5.03   0.071% *  0.7353% (0.98   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    SER   13  25.07 +/- 3.13   0.104% *  0.3947% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    SER   13  31.47 +/- 5.13   0.062% *  0.1157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 6.19:
      O   QB    SER   13 - HN    SER   13   3.02 +/- 0.38  91.260% * 99.5044% (0.87  10.0   2.06   6.19) =  99.989%  kept
          HB3   SER   37 - HN    SER   13  15.13 +/- 4.70   6.272% *  0.1124% (0.98   1.0   0.02   0.02) =   0.008%
          HB    THR   39 - HN    SER   13  15.79 +/- 4.55   2.121% *  0.1029% (0.90   1.0   0.02   0.02) =   0.002%
          HB    THR  118 - HN    SER   13  30.04 +/- 3.78   0.122% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  31.73 +/- 4.13   0.099% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  29.92 +/- 5.06   0.125% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 50.3:
      O   HA    GLN   17 - HN    VAL   18   2.52 +/- 0.16  84.669% * 99.5491% (0.81  10.0   5.46  50.34) =  99.993%  kept
          HA    SER   13 - HN    VAL   18  10.87 +/- 2.48   8.692% *  0.0297% (0.24   1.0   0.02   0.02) =   0.003%
          HA    VAL   42 - HN    VAL   18  13.34 +/- 4.10   1.380% *  0.1100% (0.89   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    VAL   18   7.53 +/- 0.43   3.376% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   18  16.91 +/- 3.45   0.531% *  0.0995% (0.81   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   18  17.77 +/- 4.53   0.378% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  15.57 +/- 3.48   0.647% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  21.37 +/- 3.05   0.182% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  23.70 +/- 5.24   0.144% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.363, support = 5.54, residual support = 75.3:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.04  85.169% * 86.1980% (0.36  10.0   5.58  76.31) =  98.724%  kept
          HA1   GLY   16 - HN    VAL   18   6.58 +/- 0.23   7.242% * 12.9243% (0.43   1.0   2.51   0.02) =   1.259%  kept
          HA    VAL   70 - HN    VAL   18  10.95 +/- 4.44   3.462% *  0.1992% (0.84   1.0   0.02   0.02) =   0.009%
          HB2   SER   37 - HN    VAL   18  14.81 +/- 4.02   1.513% *  0.1839% (0.77   1.0   0.02   0.02) =   0.004%
          HA    LYS+  33 - HN    VAL   18  15.84 +/- 2.51   0.933% *  0.1300% (0.55   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    VAL   18  15.70 +/- 3.09   1.069% *  0.0944% (0.40   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   18  20.90 +/- 2.29   0.246% *  0.1992% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    VAL   18  22.72 +/- 5.97   0.365% *  0.0709% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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   2.51 +/- 0.20  76.173% * 89.8007% (0.67  10.0   2.10   6.62) =  98.450%  kept
          HA    GLU-  15 - HN    GLU-  14   5.06 +/- 0.64  10.938% *  9.7704% (0.67   1.0   2.18   1.51) =   1.538%  kept
          HA    SER   37 - HN    GLU-  14  14.48 +/- 3.85   6.857% *  0.0676% (0.51   1.0   0.02   0.02) =   0.007%
          HA    GLN   17 - HN    GLU-  14   8.21 +/- 1.56   3.734% *  0.0676% (0.51   1.0   0.02   0.02) =   0.004%
          HA    LEU   40 - HN    GLU-  14  16.12 +/- 3.44   1.333% *  0.0777% (0.58   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLU-  14  22.28 +/- 4.14   0.187% *  0.0880% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  18.19 +/- 3.39   0.458% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  25.26 +/- 3.61   0.099% *  0.0745% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  25.09 +/- 7.01   0.135% *  0.0207% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  26.29 +/- 3.36   0.087% *  0.0144% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.7, residual support = 17.7:
          HN    GLN   17 - HN    GLY   16   2.39 +/- 0.12  96.704% * 87.0558% (0.13   3.70  17.69) =  99.934%  kept
          HN    TRP   27 - HN    GLY   16  15.40 +/- 2.73   0.895% *  2.3898% (0.67   0.02   0.02) =   0.025%
          HN    ALA   61 - HN    GLY   16  17.03 +/- 3.05   0.332% *  3.4483% (0.97   0.02   0.02) =   0.014%
          HE3   TRP   87 - HN    GLY   16  22.94 +/- 5.38   0.342% *  3.2116% (0.90   0.02   0.02) =   0.013%
          HN    THR   39 - HN    GLY   16  12.34 +/- 4.32   1.643% *  0.5368% (0.15   0.02   0.12) =   0.010%
          HN    ALA   91 - HN    GLY   16  27.43 +/- 3.84   0.084% *  3.3576% (0.94   0.02   0.02) =   0.003%
    Distance limit 4.43 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 = 3.7, residual support = 17.7:
        T HN    GLY   16 - HN    GLN   17   2.39 +/- 0.12  99.701% * 99.8536% (1.00 10.00   3.70  17.69) = 100.000%  kept
          HN    SER   82 - HN    GLN   17  24.13 +/- 5.70   0.204% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    GLN   17  25.27 +/- 2.52   0.095% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.495, support = 2.1, residual support = 5.89:
      O   HA    GLU-  15 - HN    GLY   16   2.47 +/- 0.19  83.350% * 75.0304% (0.47  10.0   2.05   5.39) =  95.895%  kept
          HA    GLN   17 - HN    GLY   16   4.95 +/- 0.11  10.976% * 24.3467% (0.97   1.0   3.19  17.69) =   4.098%  kept
          HA    SER   37 - HN    GLY   16  13.47 +/- 4.64   1.193% *  0.1528% (0.97   1.0   0.02   0.02) =   0.003%
          HA    SER   13 - HN    GLY   16   8.61 +/- 0.82   2.291% *  0.0750% (0.47   1.0   0.02   0.02) =   0.003%
          HA    VAL   42 - HN    GLY   16  14.92 +/- 3.98   0.645% *  0.1059% (0.67   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLY   16  13.16 +/- 3.81   1.067% *  0.0476% (0.30   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLY   16  22.22 +/- 3.75   0.149% *  0.1488% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  19.35 +/- 3.50   0.237% *  0.0691% (0.44   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  25.32 +/- 3.59   0.092% *  0.0238% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.796, support = 0.02, residual support = 0.02:
          HA    VAL   18 - HN    GLY   16   6.71 +/- 0.25  44.686% * 12.6997% (0.90   0.02   0.02) =  54.176%  kept
          HA    VAL   70 - HN    GLY   16  10.91 +/- 5.64  25.890% *  6.1679% (0.44   0.02   0.02) =  15.245%  kept
          HA    GLU-  29 - HN    GLY   16  15.59 +/- 3.74   9.598% * 12.3380% (0.87   0.02   0.02) =  11.305%  kept
          HA    LYS+  33 - HN    GLY   16  13.81 +/- 3.30   9.215% * 10.5138% (0.75   0.02   0.02) =   9.249%  kept
          HA    GLN   32 - HN    GLY   16  16.00 +/- 2.85   4.732% *  9.4500% (0.67   0.02   0.02) =   4.269%  kept
          HB2   SER   82 - HN    GLY   16  25.73 +/- 6.61   1.768% * 13.2768% (0.94   0.02   0.02) =   2.241%  kept
          HA    SER   48 - HN    GLY   16  24.56 +/- 5.07   1.111% * 12.6997% (0.90   0.02   0.02) =   1.347%  kept
          HA    ALA   88 - HN    GLY   16  28.02 +/- 4.62   0.987% *  9.9899% (0.71   0.02   0.02) =   0.942%  kept
          HA    GLN  116 - HN    GLY   16  24.10 +/- 2.89   1.185% *  6.1679% (0.44   0.02   0.02) =   0.698%  kept
          HD2   PRO   52 - HN    GLY   16  26.40 +/- 4.32   0.829% *  6.6964% (0.47   0.02   0.02) =   0.530%  kept
    Distance limit 3.53 A violated in 19 structures by 2.66 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.977, support = 5.17, residual support = 82.8:
      O   HA    GLN   17 - HN    GLN   17   2.90 +/- 0.02  53.960% * 95.6049% (0.99  10.0   5.27  85.22) =  97.109%  kept
          HA    GLU-  15 - HN    GLN   17   3.30 +/- 0.31  38.241% *  4.0053% (0.49   1.0   1.71   0.02) =   2.883%  kept
          HA    SER   13 - HN    GLN   17   8.40 +/- 1.39   4.301% *  0.0470% (0.49   1.0   0.02   0.02) =   0.004%
          HA    SER   37 - HN    GLN   17  14.39 +/- 3.91   0.982% *  0.0956% (0.99   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    GLN   17  14.26 +/- 3.84   0.798% *  0.0663% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLN   17  13.32 +/- 3.44   1.058% *  0.0298% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLN   17  20.82 +/- 3.84   0.188% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  18.09 +/- 3.29   0.355% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  24.08 +/- 3.23   0.117% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 85.2:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00  99.313% * 99.1229% (0.70  10.0 10.00   1.00  85.22) =  99.999%  kept
        T HE21  GLN   17 - HE22  GLN   32  21.39 +/- 5.32   0.188% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN   32  29.93 +/- 9.17   0.199% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  24.04 +/- 6.74   0.074% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  23.08 +/- 5.22   0.064% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  28.38 +/- 7.28   0.081% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  24.47 +/- 4.03   0.045% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  29.57 +/- 5.62   0.037% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 85.2:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00  99.670% * 99.4952% (0.63  10.0   1.00  85.22) = 100.000%  kept
          HE22  GLN   32 - HE21  GLN   17  21.39 +/- 5.32   0.189% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   17  21.04 +/- 3.87   0.080% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  26.09 +/- 3.58   0.035% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  30.52 +/- 4.95   0.026% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.46 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 = 22.0:
      O   HA1   GLY   16 - HN    GLN   17   3.24 +/- 0.09  68.096% * 63.2320% (0.22  10.0   3.26  17.69) =  86.622%  kept
          HA    VAL   18 - HN    GLN   17   5.02 +/- 0.21  18.705% * 35.3954% (0.65   1.0   3.85  50.34) =  13.319%  kept
          HA    VAL   70 - HN    GLN   17  10.61 +/- 4.95   5.980% *  0.2834% (1.00   1.0   0.02   0.02) =   0.034%
          HB2   SER   37 - HN    GLN   17  12.64 +/- 4.54   3.713% *  0.1494% (0.53   1.0   0.02   0.02) =   0.011%
          HA    LYS+  33 - HN    GLN   17  14.22 +/- 2.71   1.238% *  0.2372% (0.84   1.0   0.02   0.02) =   0.006%
          HA    GLU-  29 - HN    GLN   17  15.35 +/- 3.38   1.417% *  0.1951% (0.69   1.0   0.02   0.02) =   0.006%
          HA    GLN  116 - HN    GLN   17  23.10 +/- 2.51   0.214% *  0.2834% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLN   17  24.75 +/- 6.10   0.348% *  0.1608% (0.57   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   17  23.11 +/- 5.09   0.290% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 2.38, residual support = 5.82:
          HA    LEU   73 - HN    ILE   19   5.42 +/- 5.22 100.000% *100.0000% (0.87   2.38   5.82) = 100.000%  kept
    Distance limit 3.72 A violated in 6 structures by 2.45 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.84, residual support = 22.6:
      O   HA    VAL   18 - HN    ILE   19   2.23 +/- 0.05  93.017% * 91.4940% (0.65  10.0   4.85  22.62) =  99.828%  kept
          HA    VAL   70 - HN    ILE   19  10.49 +/- 3.96   1.806% *  7.9321% (1.00   1.0   1.12   0.12) =   0.168%  kept
          HB2   SER   37 - HN    ILE   19  13.19 +/- 3.99   1.007% *  0.0744% (0.53   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    ILE   19   8.22 +/- 0.70   1.957% *  0.0315% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    ILE   19  12.71 +/- 1.39   0.596% *  0.0972% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    ILE   19  13.35 +/- 1.47   0.484% *  0.1181% (0.84   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    ILE   19  18.83 +/- 4.88   0.754% *  0.0315% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  20.31 +/- 2.60   0.155% *  0.1411% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  20.59 +/- 5.93   0.222% *  0.0801% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 6.71, residual support = 170.0:
      O   HA    ILE   19 - HN    ILE   19   2.89 +/- 0.04  95.176% * 99.7071% (0.87  10.0   6.71 170.05) =  99.997%  kept
          HA    THR   26 - HN    ILE   19  10.92 +/- 2.02   2.946% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HA    GLU-  25 - HN    ILE   19  14.07 +/- 1.51   0.964% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ILE   19  18.95 +/- 2.54   0.408% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  21.62 +/- 5.31   0.331% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  24.25 +/- 1.93   0.175% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 25.5:
      O   HA    ILE   19 - HN    ALA   20   2.30 +/- 0.09  95.505% * 99.7374% (0.97  10.0   5.04  25.52) =  99.998%  kept
          HA    THR   26 - HN    ALA   20   8.95 +/- 1.99   3.106% *  0.0388% (0.38   1.0   0.02   0.14) =   0.001%
          HA    GLU-  25 - HN    ALA   20  12.02 +/- 1.94   0.944% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ALA   20  19.76 +/- 2.99   0.199% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  21.07 +/- 4.64   0.169% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.81 +/- 3.07   0.077% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 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   2.92 +/- 0.02  96.229% * 99.9455% (0.97  10.0   3.14  15.21) =  99.998%  kept
          HA    LEU   71 - HN    ALA   20  10.33 +/- 3.29   3.771% *  0.0545% (0.53   1.0   0.02   0.02) =   0.002%
    Distance limit 4.37 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 = 4.13, residual support = 10.1:
        T HN    LYS+  74 - HN    CYS   21   4.75 +/- 4.10  56.601% * 99.2410% (0.76 10.00   4.13  10.13) =  99.934%  kept
        T HN    LYS+  74 - HN    ILE  119  18.19 +/- 2.77   7.323% *  0.3136% (0.24 10.00   0.02   0.02) =   0.041%
          HN    THR   46 - HN    CYS   21  13.32 +/- 3.19   4.016% *  0.1299% (1.00  1.00   0.02   0.02) =   0.009%
          HN    THR   46 - HN    ILE  119  15.95 +/- 1.66   6.606% *  0.0410% (0.32  1.00   0.02   0.02) =   0.005%
          HN    LYS+ 112 - HN    ILE  119  10.48 +/- 0.56  15.247% *  0.0102% (0.08  1.00   0.02   0.02) =   0.003%
          HN    MET   92 - HN    CYS   21  20.48 +/- 3.05   1.266% *  0.1228% (0.95  1.00   0.02   0.02) =   0.003%
          HN    MET   92 - HN    ILE  119  17.35 +/- 1.50   3.387% *  0.0388% (0.30  1.00   0.02   0.02) =   0.002%
          HN    LYS+ 112 - HN    CYS   21  22.50 +/- 3.77   3.148% *  0.0324% (0.25  1.00   0.02   0.02) =   0.002%
          HN    MET   11 - HN    CYS   21  21.49 +/- 4.88   1.653% *  0.0534% (0.41  1.00   0.02   0.02) =   0.002%
          HN    MET   11 - HN    ILE  119  34.93 +/- 4.88   0.753% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 3 structures by 1.45 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 16.5:
      O   HA    ALA   20 - HN    CYS   21   2.24 +/- 0.03  97.482% * 99.8901% (0.95  10.0   3.44  16.54) =  99.999%  kept
          HA    LYS+ 102 - HN    CYS   21  20.13 +/- 5.50   0.903% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    CYS   21  11.45 +/- 2.82   1.025% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.30 +/- 3.65   0.225% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  20.25 +/- 3.60   0.164% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  18.57 +/- 2.48   0.202% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.83, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.75 +/- 0.06  98.008% * 99.8043% (0.83  10.0   3.83  41.00) =  99.998%  kept
          HB    THR   26 - HN    ASP-  62  17.45 +/- 4.15   1.026% *  0.1025% (0.85   1.0   0.02   0.02) =   0.001%
          HA    SER  117 - HN    ASP-  62  14.11 +/- 0.82   0.764% *  0.0751% (0.63   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    ASP-  62  22.54 +/- 2.18   0.202% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 6.46:
          HA    PHE   59 - HN    ASP-  62   3.83 +/- 0.22  83.777% * 92.4913% (0.52   1.50   6.47) =  99.738%  kept
          HA    ILE   56 - HN    ASP-  62   8.27 +/- 0.68   9.176% *  1.2332% (0.52   0.02   0.02) =   0.146%  kept
          HA    ASP- 113 - HN    ASP-  62  14.73 +/- 1.31   1.592% *  2.0287% (0.86   0.02   0.02) =   0.042%
          HA    LEU  123 - HN    ASP-  62  13.12 +/- 1.76   2.797% *  0.9897% (0.42   0.02   0.02) =   0.036%
          HA    LYS+  99 - HN    ASP-  62  17.63 +/- 3.00   1.196% *  1.6281% (0.69   0.02   0.02) =   0.025%
          HA    ASN   35 - HN    ASP-  62  21.09 +/- 2.89   0.629% *  1.3153% (0.56   0.02   0.02) =   0.011%
          HA    TRP   87 - HN    ASP-  62  19.69 +/- 2.52   0.833% *  0.3137% (0.13   0.02   0.02) =   0.003%
    Distance limit 3.92 A violated in 0 structures by 0.05 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 3.32, residual support = 21.6:
          HN    THR   23 - HN    HIS   22   2.79 +/- 0.97  89.409% * 97.2666% (0.69   3.32  21.60) =  99.915%  kept
          HE3   TRP   27 - HN    HIS   22   7.71 +/- 1.13   7.370% *  0.8508% (1.00   0.02   0.02) =   0.072%
          QE    PHE   95 - HN    HIS   22  15.81 +/- 2.85   0.731% *  0.6192% (0.73   0.02   0.02) =   0.005%
          QD    PHE   55 - HN    HIS   22  20.39 +/- 4.63   0.358% *  0.8508% (1.00   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    HIS   22  15.86 +/- 4.97   1.373% *  0.1493% (0.18   0.02   0.02) =   0.002%
          HN    LEU   67 - HN    HIS   22  15.83 +/- 3.07   0.759% *  0.2632% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 1.08, residual support = 6.17:
          HA    ALA   20 - HN    HIS   22   4.87 +/- 0.18  80.725% * 98.9138% (0.95   1.09   6.18) =  99.854%  kept
          HA    LYS+ 102 - HN    HIS   22  21.77 +/- 5.86  14.938% *  0.6572% (0.34   0.02   0.02) =   0.123%  kept
          HA    LEU   71 - HN    HIS   22  13.33 +/- 1.49   4.337% *  0.4290% (0.22   0.02   0.02) =   0.023%
    Distance limit 3.94 A violated in 0 structures by 0.89 A, kept.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 3.68, residual support = 13.2:
        T HN    THR   26 - HN    THR   23   4.69 +/- 0.16  80.161% * 98.2592% (0.69 10.00   3.69  13.25) =  99.688%  kept
          HN    LEU   80 - HN    THR   23  12.67 +/- 5.64  15.034% *  1.6242% (0.34  1.00   0.67   0.65) =   0.309%  kept
          HN    CYS   53 - HN    THR   23  20.47 +/- 3.88   1.656% *  0.0810% (0.57  1.00   0.02   0.02) =   0.002%
          HN    ALA   34 - HN    THR   23  13.98 +/- 0.73   3.148% *  0.0357% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.43 A violated in 0 structures by 0.24 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.32, residual support = 21.6:
        T HN    HIS   22 - HN    THR   23   2.79 +/- 0.97  92.209% * 99.9047% (0.99 10.00   3.32  21.60) =  99.992%  kept
          HN    ASP-  76 - HN    THR   23  10.19 +/- 3.34   7.791% *  0.0953% (0.95  1.00   0.02   0.02) =   0.008%
    Distance limit 3.54 A violated in 0 structures by 0.07 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 7.86, residual support = 34.6:
        T HN    GLU-  25 - HN    VAL   24   2.81 +/- 0.16  88.759% * 95.4269% (0.98 10.00   7.89  34.70) =  99.459%  kept
          HN    ASN   28 - HN    VAL   24   5.93 +/- 0.32  10.267% *  4.4766% (0.41  1.00   2.24  14.46) =   0.540%  kept
          HN    ASP-  44 - HN    VAL   24  13.91 +/- 2.40   0.974% *  0.0965% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.89, residual support = 34.7:
        T HN    VAL   24 - HN    GLU-  25   2.81 +/- 0.16 100.000% *100.0000% (1.00 10.00   7.89  34.70) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (8.12, 8.78, 120.28 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.45, residual support = 31.6:
        T HN    THR   26 - HN    GLU-  25   2.85 +/- 0.10  99.582% * 99.9840% (0.97 10.00   5.45  31.59) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  17.91 +/- 1.35   0.418% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 5.4, residual support = 30.9:
        T HN    GLU-  25 - HN    THR   26   2.85 +/- 0.10  74.275% * 93.4616% (0.98 10.00   5.45  31.59) =  97.727%  kept
          HN    ASN   28 - HN    THR   26   4.11 +/- 0.15  25.051% *  6.4439% (0.41  1.00   3.29   0.42) =   2.273%  kept
          HN    ASP-  44 - HN    THR   26  14.85 +/- 2.30   0.674% *  0.0945% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.46, residual support = 22.7:
          HN    TRP   27 - HN    THR   26   2.47 +/- 0.10  97.136% * 98.4555% (0.99   4.46  22.71) =  99.994%  kept
          HN    ALA   61 - HN    THR   26  17.99 +/- 3.82   0.524% *  0.3062% (0.69   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    THR   26  18.12 +/- 5.16   0.440% *  0.2704% (0.61   0.02   0.02) =   0.001%
          HN    THR   39 - HN    THR   26  16.89 +/- 1.27   0.325% *  0.2884% (0.65   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR   26  19.97 +/- 4.56   0.336% *  0.1673% (0.38   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR   26  23.64 +/- 3.31   0.129% *  0.3407% (0.76   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.61 +/- 0.81   0.395% *  0.1112% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  21.35 +/- 5.78   0.715% *  0.0603% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.902, support = 3.55, residual support = 13.6:
          HN    THR   23 - HN    THR   26   4.69 +/- 0.16  59.701% * 62.8899% (0.97   3.69  13.25) =  87.205%  kept
          HE3   TRP   27 - HN    THR   26   7.61 +/- 0.26  14.248% * 27.7699% (0.49   3.23  22.71) =   9.190%  kept
          HD2   HIS   22 - HN    THR   26   7.78 +/- 1.49  18.690% *  8.2184% (0.45   1.04   0.02) =   3.568%  kept
          HN    LEU   67 - HN    THR   26  18.10 +/- 3.93   2.437% *  0.3259% (0.92   0.02   0.02) =   0.018%
          QE    PHE   95 - HN    THR   26  17.94 +/- 1.84   1.202% *  0.3340% (0.95   0.02   0.02) =   0.009%
          QD    PHE   55 - HN    THR   26  23.05 +/- 4.49   1.042% *  0.1999% (0.57   0.02   0.02) =   0.005%
          HD1   TRP   49 - HN    THR   26  23.55 +/- 3.76   0.688% *  0.2142% (0.61   0.02   0.02) =   0.003%
          HD21  ASN   35 - HN    THR   26  15.51 +/- 1.64   1.992% *  0.0478% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.49 A violated in 0 structures by 0.12 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.874, support = 4.46, residual support = 61.4:
          HE3   TRP   27 - HN    TRP   27   5.19 +/- 0.21  30.819% * 70.6773% (1.00   5.33 100.96) =  60.356%  kept
          HN    THR   23 - HN    TRP   27   4.37 +/- 0.47  49.973% * 28.6082% (0.69   3.13   1.20) =  39.614%  kept
          QD    PHE   55 - HN    TRP   27  21.64 +/- 4.06   0.945% *  0.2652% (1.00   0.02   0.02) =   0.007%
          QE    PHE   95 - HN    TRP   27  16.13 +/- 1.80   1.244% *  0.1930% (0.73   0.02   0.02) =   0.007%
          HN    LEU   67 - HN    TRP   27  16.37 +/- 3.57   2.531% *  0.0820% (0.31   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    TRP   27  16.17 +/- 6.44   2.936% *  0.0465% (0.18   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    ALA   91  10.35 +/- 1.84   4.896% *  0.0238% (0.09   0.02   0.02) =   0.003%
          QD    PHE   55 - HN    ALA   91  14.36 +/- 2.97   2.145% *  0.0328% (0.12   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    ALA   91  19.34 +/- 2.86   0.727% *  0.0328% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    ALA   91  12.75 +/- 2.21   2.441% *  0.0058% (0.02   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  21.31 +/- 3.42   0.550% *  0.0226% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  20.72 +/- 3.03   0.794% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.14 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.46, residual support = 22.7:
        T HN    THR   26 - HN    TRP   27   2.47 +/- 0.10  99.166% * 99.8587% (0.97 10.00   4.46  22.71) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  23.64 +/- 3.31   0.132% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  14.38 +/- 1.08   0.540% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  22.15 +/- 2.29   0.162% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.75, residual support = 32.3:
        T HN    GLN   90 - HN    ALA   91   2.23 +/- 0.51  89.526% * 91.0962% (0.12 10.00   6.75  32.35) =  99.966%  kept
        T HN    GLN   90 - HN    TRP   27  20.95 +/- 3.68   0.171% *  7.3725% (0.95 10.00   0.02   0.02) =   0.015%
          HN    ILE  103 - HN    TRP   27  19.80 +/- 5.30   1.191% *  0.7794% (1.00  1.00   0.02   0.02) =   0.011%
          HN    GLY  109 - HN    ALA   91   8.13 +/- 4.12   7.372% *  0.0507% (0.07  1.00   0.02   0.02) =   0.005%
          HN    SER   82 - HN    TRP   27  16.47 +/- 6.92   0.672% *  0.1735% (0.22  1.00   0.02   0.02) =   0.001%
          HN    GLY  109 - HN    TRP   27  24.06 +/- 2.01   0.099% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.20 +/- 1.97   0.271% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.93 +/- 1.74   0.698% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 4.9, residual support = 46.5:
        T HN    ASN   28 - HN    TRP   27   2.81 +/- 0.08  73.188% * 94.7439% (0.99 10.00   4.94  47.32) =  98.284%  kept
          HN    GLU-  25 - HN    TRP   27   4.11 +/- 0.18  24.015% *  5.0382% (0.38  1.00   2.81   0.62) =   1.715%  kept
          HN    ASP-  44 - HN    TRP   27  12.68 +/- 2.29   1.042% *  0.0393% (0.41  1.00   0.02   0.02) =   0.001%
        T HN    ASN   28 - HN    ALA   91  22.36 +/- 3.58   0.180% *  0.1171% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  18.02 +/- 2.48   0.390% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.85 +/- 0.96   0.812% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  23.58 +/- 3.28   0.196% *  0.0057% (0.06  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  23.12 +/- 4.21   0.176% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 101.0:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  96.372% * 99.6381% (0.76  10.0   1.97 100.96) =  99.995%  kept
          HE21  GLN   30 - HE1   TRP   27   9.71 +/- 1.26   2.296% *  0.1311% (0.99   1.0   0.02   0.02) =   0.003%
          QD    PHE   59 - HE1   TRP   27  16.39 +/- 3.47   0.986% *  0.1011% (0.76   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HE1   TRP   27  21.85 +/- 4.79   0.346% *  0.1297% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 100.9:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  92.880% * 99.8511% (0.45  10.0   1.46 100.96) =  99.989%  kept
          HZ    PHE   72 - HE1   TRP   27  13.20 +/- 3.78   7.120% *  0.1489% (0.49   1.0   0.02   0.02) =   0.011%
    Distance limit 4.01 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 = 0.937, support = 4.82, residual support = 29.7:
          HN    GLU-  29 - HN    ASN   28   2.83 +/- 0.09  68.509% * 56.2591% (0.98   4.88  32.92) =  75.987%  kept
          HN    GLN   30 - HN    ASN   28   3.83 +/- 0.11  28.045% * 43.4209% (0.80   4.61  19.60) =  24.007%  kept
          HN    ASP-  86 - HN    ASN   28  17.61 +/- 6.56   0.701% *  0.2040% (0.87   0.02   0.02) =   0.003%
          HN    GLU-  14 - HN    ASN   28  17.16 +/- 3.72   1.370% *  0.0524% (0.22   0.02   0.02) =   0.001%
          HN    VAL   18 - HN    ASN   28  14.63 +/- 2.26   0.755% *  0.0318% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  19.69 +/- 5.46   0.620% *  0.0318% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 4.94, residual support = 47.3:
          HN    TRP   27 - HN    ASN   28   2.81 +/- 0.08  93.853% * 98.6039% (0.99   4.94  47.32) =  99.988%  kept
          HD1   TRP   87 - HN    ASN   28  16.18 +/- 5.62   1.137% *  0.2444% (0.61   0.02   0.02) =   0.003%
          HN    ALA   61 - HN    ASN   28  17.32 +/- 3.60   0.904% *  0.2768% (0.69   0.02   0.02) =   0.003%
          HN    THR   39 - HN    ASN   28  14.22 +/- 0.94   0.752% *  0.2607% (0.65   0.02   0.02) =   0.002%
          HE3   TRP   87 - HN    ASN   28  17.41 +/- 5.24   0.919% *  0.1512% (0.38   0.02   0.02) =   0.002%
          HN    GLU-  36 - HN    ASN   28  13.00 +/- 0.55   0.967% *  0.1005% (0.25   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   28  22.36 +/- 3.58   0.233% *  0.3079% (0.76   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    ASN   28  18.47 +/- 5.31   1.235% *  0.0545% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.62 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 = 0.421, support = 4.95, residual support = 46.6:
          HD1   TRP   27 - HN    ASN   28   3.00 +/- 0.41  89.539% * 78.8018% (0.41   5.06  47.32) =  97.304%  kept
          HE21  GLN   30 - HN    ASN   28   7.57 +/- 1.72   9.665% * 20.1883% (0.76   0.70  19.60) =   2.691%  kept
          HH2   TRP   49 - HN    ASN   28  24.05 +/- 4.20   0.268% *  0.6987% (0.92   0.02   0.02) =   0.003%
          QD    PHE   59 - HN    ASN   28  18.06 +/- 3.25   0.528% *  0.3112% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.12 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 = 2.59, residual support = 94.8:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.268% * 99.9543% (0.98  10.0   2.59  94.83) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  12.59 +/- 2.83   0.732% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.996, support = 1.36, residual support = 3.82:
          HA    GLU-  25 - HD21  ASN   28   4.82 +/- 0.29  75.414% * 96.8259% (1.00   1.37   3.84) =  99.665%  kept
          HA    CYS   53 - HD21  ASN   28  21.99 +/- 4.59   8.507% *  1.0298% (0.73   0.02   0.02) =   0.120%  kept
          HA    SER   82 - HD21  ASN   28  16.70 +/- 8.39  10.710% *  0.8029% (0.57   0.02   0.02) =   0.117%  kept
          HA    ILE   19 - HD21  ASN   28  12.96 +/- 1.72   5.368% *  1.3415% (0.95   0.02   0.02) =   0.098%
    Distance limit 4.40 A violated in 0 structures by 0.40 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.827, support = 5.62, residual support = 90.8:
      O   HA    ASN   28 - HN    ASN   28   2.72 +/- 0.04  74.648% * 85.5137% (0.84  10.0   5.68  94.83) =  95.725%  kept
          HA    THR   26 - HN    ASN   28   4.24 +/- 0.20  20.275% * 14.0453% (0.65   1.0   4.24   0.42) =   4.270%  kept
          HA1   GLY  101 - HN    ASN   28  17.10 +/- 5.81   1.474% *  0.1022% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    ASN   28  11.53 +/- 0.56   1.013% *  0.0988% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ARG+  54 - HN    ASN   28  22.99 +/- 5.00   2.085% *  0.0316% (0.31   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASN   28  23.05 +/- 3.12   0.155% *  0.0888% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.91 +/- 3.13   0.090% *  0.0968% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  27.28 +/- 7.00   0.260% *  0.0228% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 4.76, residual support = 94.0:
      O   HA    TRP   27 - HN    TRP   27   2.74 +/- 0.02  52.424% * 90.4766% (0.97  10.0   4.96 100.96) =  92.127%  kept
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.03  43.697% *  9.2758% (0.10  10.0   2.45  12.83) =   7.873%  kept
          HA    PRO   52 - HN    TRP   27  23.96 +/- 4.43   0.149% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  22.94 +/- 3.13   0.106% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  11.52 +/- 2.29   1.045% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.45 +/- 1.79   0.102% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  14.75 +/- 3.55   0.537% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  11.83 +/- 3.66   1.736% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  21.29 +/- 2.78   0.130% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  25.92 +/- 3.45   0.074% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.46, residual support = 22.7:
          HB    THR   26 - HN    TRP   27   2.86 +/- 0.12  95.498% * 99.0057% (0.99   4.46  22.71) =  99.993%  kept
          HA    ASP-  62 - HN    TRP   27  16.65 +/- 4.25   0.981% *  0.4323% (0.97   0.02   0.02) =   0.004%
          HA    SER   82 - HN    TRP   27  18.19 +/- 6.93   0.946% *  0.0785% (0.18   0.02   0.02) =   0.001%
          HA    SER  117 - HN    TRP   27  26.13 +/- 3.82   0.181% *  0.3253% (0.73   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    ALA   91  18.80 +/- 3.15   0.516% *  0.0534% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  19.24 +/- 2.88   0.378% *  0.0402% (0.09   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.50 +/- 1.57   1.303% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  23.61 +/- 2.89   0.196% *  0.0549% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  23.83 +/- 3.49 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.43 A violated in 20 structures by 19.40 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.339, support = 4.64, residual support = 33.3:
      O   HB    THR   26 - HN    THR   26   2.17 +/- 0.09  79.320% * 21.3631% (0.15  10.0   4.16  34.67) =  55.100%  kept
      O   HA    GLU-  25 - HN    THR   26   3.60 +/- 0.03  17.613% * 78.3875% (0.57  10.0   5.23  31.59) =  44.894%  kept
          HA    ILE   19 - HN    THR   26  10.14 +/- 2.24   2.315% *  0.0472% (0.34   1.0   0.02   0.02) =   0.004%
          HA    SER   82 - HN    THR   26  19.23 +/- 7.41   0.312% *  0.1381% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    THR   26  18.32 +/- 4.66   0.329% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  22.90 +/- 3.97   0.112% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.791, support = 3.08, residual support = 6.43:
          HA    THR   23 - HN    GLU-  25   3.86 +/- 0.42  44.307% * 59.6886% (0.98   2.81   6.44) =  58.494%  kept
          HB    THR   23 - HN    GLU-  25   3.79 +/- 0.57  47.465% * 39.4839% (0.53   3.47   6.44) =  41.451%  kept
          HA    LEU   80 - HN    GLU-  25  14.39 +/- 7.53   7.182% *  0.2975% (0.69   0.02   0.02) =   0.047%
          HA    ASP-  78 - HN    GLU-  25  17.47 +/- 3.88   0.773% *  0.4097% (0.95   0.02   0.02) =   0.007%
          HA    ASP- 105 - HN    GLU-  25  24.16 +/- 4.04   0.273% *  0.1204% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.88, residual support = 127.4:
      O   HA    GLU-  25 - HN    GLU-  25   2.72 +/- 0.04  96.614% * 99.7793% (0.87  10.0   5.88 127.45) =  99.997%  kept
          HA    SER   82 - HN    GLU-  25  17.93 +/- 8.34   1.418% *  0.1032% (0.90   1.0   0.02   0.02) =   0.002%
          HA    ILE   19 - HN    GLU-  25  12.34 +/- 2.09   1.646% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLU-  25  23.08 +/- 4.10   0.321% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.709, support = 5.37, residual support = 25.7:
      O   HA    THR   23 - HN    VAL   24   2.40 +/- 0.22  64.348% * 90.8978% (0.73  10.0   5.38  25.76) =  96.636%  kept
          HB    THR   23 - HN    VAL   24   3.75 +/- 0.67  25.667% *  7.3583% (0.22   1.0   5.28  25.76) =   3.120%  kept
          HA    LEU   80 - HN    VAL   24  12.27 +/- 7.41   9.175% *  1.6012% (0.34   1.0   0.75   4.26) =   0.243%  kept
          HA    ASP-  78 - HN    VAL   24  15.29 +/- 3.91   0.416% *  0.1208% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    VAL   24  15.10 +/- 3.25   0.394% *  0.0219% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.773, support = 3.43, residual support = 19.1:
      O   HA    THR   23 - HN    THR   23   2.71 +/- 0.28  67.105% * 36.8873% (0.61  10.0   3.04  19.14) =  57.223%  kept
      O   HB    THR   23 - HN    THR   23   3.68 +/- 0.28  30.424% * 60.6818% (1.00  10.0   3.95  19.14) =  42.680%  kept
          HA    LEU   80 - HN    THR   23  13.15 +/- 6.30   1.772% *  2.3560% (0.95   1.0   0.82   0.65) =   0.097%
          HA    ASP- 105 - HN    THR   23  22.58 +/- 3.80   0.226% *  0.0561% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    THR   23  15.35 +/- 3.35   0.473% *  0.0188% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 2.21, residual support = 2.73:
          HA    ALA   20 - HN    THR   23   5.65 +/- 0.56  93.026% * 98.9716% (0.73   2.21   2.73) =  99.922%  kept
          HA    LEU   71 - HN    THR   23  14.18 +/- 1.60   6.974% *  1.0284% (0.84   0.02   0.02) =   0.078%
    Distance limit 3.98 A violated in 13 structures by 1.68 A, kept.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.59, residual support = 13.2:
          HB    THR   26 - HN    THR   23   4.04 +/- 0.29  91.006% * 91.8358% (0.99   2.61  13.25) =  99.423%  kept
          HA    ASP-  62 - HN    THR   23  15.80 +/- 4.09   6.377% *  7.5235% (0.97   0.22   0.02) =   0.571%  kept
          HA    SER  117 - HN    THR   23  25.81 +/- 4.06   0.588% *  0.5161% (0.73   0.02   0.02) =   0.004%
          HA    SER   82 - HN    THR   23  17.91 +/- 6.31   2.030% *  0.1245% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.70 A violated in 0 structures by 0.34 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.59, residual support = 94.8:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  97.174% * 99.7763% (0.98  10.0   2.59  94.83) =  99.998%  kept
          HZ2   TRP   87 - HD22  ASN   28  12.74 +/- 6.69   1.728% *  0.1009% (0.99   1.0   0.02   0.02) =   0.002%
          QE    PHE   60 - HD22  ASN   28  13.82 +/- 2.96   0.341% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  22.20 +/- 4.30   0.469% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  16.98 +/- 3.97   0.288% *  0.0418% (0.41   1.0   0.02   0.19) =   0.000%
    Distance limit 2.53 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 = 32.9:
        T HN    ASN   28 - HN    GLU-  29   2.83 +/- 0.09  90.633% * 99.0079% (0.76 10.00   4.88  32.92) =  99.921%  kept
          HN    GLU-  25 - HN    GLU-  29   6.38 +/- 0.29   8.117% *  0.8675% (0.73  1.00   0.18   0.02) =   0.078%
          HN    ASP-  44 - HN    GLU-  29  14.98 +/- 1.87   0.718% *  0.0990% (0.76  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    GLU-  29  18.62 +/- 3.07   0.532% *  0.0256% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 7.21, residual support = 51.1:
        T HN    LEU   31 - HN    GLN   30   2.55 +/- 0.09  96.606% * 98.4622% (0.73 10.00   7.21  51.14) =  99.996%  kept
        T HN    PHE   55 - HN    GLN   30  24.56 +/- 3.63   0.221% *  1.3086% (0.97 10.00   0.02   0.02) =   0.003%
          HN    ASP-  62 - HN    GLN   30  17.50 +/- 3.59   0.558% *  0.0877% (0.65  1.00   0.02   0.02) =   0.001%
          HN    ALA   88 - HN    GLN   30  20.97 +/- 4.45   0.256% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  24.13 +/- 3.70   0.321% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  15.00 +/- 3.53   0.836% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  16.31 +/- 2.20   0.583% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.14 +/- 2.82   0.341% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  23.94 +/- 2.42   0.136% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  24.07 +/- 2.81   0.142% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 5.86, residual support = 44.4:
        T HN    LEU   31 - HN    GLN   32   2.63 +/- 0.16  95.905% * 99.0995% (0.98 10.00   5.86  44.45) =  99.997%  kept
        T HN    PHE   55 - HN    GLN   32  26.46 +/- 3.57   0.268% *  0.6945% (0.69 10.00   0.02   0.02) =   0.002%
          HN    LYS+  38 - HN    GLN   32   9.00 +/- 0.52   2.744% *  0.0225% (0.22  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   32  19.49 +/- 3.29   0.384% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  26.14 +/- 3.87   0.445% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  21.67 +/- 5.00   0.254% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 44.6:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00  99.630% * 99.4510% (0.87  10.0   1.00  44.64) =  99.999%  kept
          HE22  GLN   17 - HE21  GLN   32  20.93 +/- 5.24   0.251% *  0.2248% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - HE21  GLN   32  25.70 +/- 5.64   0.066% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  30.05 +/- 5.08   0.026% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  32.54 +/- 5.61   0.027% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (7.58, 6.80, 112.28 ppm):
    15 chemical-shift based assignments, quality = 0.835, support = 1.0, residual support = 44.6:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  97.771% * 98.9152% (0.83  10.0 10.00   1.00  44.64) =  99.999%  kept
          HN    ALA   84 - HE22  GLN   90  11.05 +/- 2.73   0.728% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  20.93 +/- 5.24   0.246% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  15.65 +/- 5.22   0.505% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  30.05 +/- 5.08   0.026% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  23.47 +/- 6.72   0.074% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  23.51 +/- 3.94   0.057% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  29.36 +/- 3.74   0.030% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  20.61 +/- 3.34   0.074% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  15.19 +/- 2.53   0.256% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  32.55 +/- 3.87   0.017% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  22.35 +/- 2.01   0.050% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  24.41 +/- 4.95   0.086% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  22.84 +/- 2.79   0.054% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  29.02 +/- 3.88   0.026% *  0.0141% (0.12   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 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.9, support = 5.7, residual support = 49.6:
          HN    GLU-  36 - HN    ASN   35   2.49 +/- 0.27  86.013% * 75.6032% (0.90   5.87  51.76) =  95.807%  kept
          HN    THR   39 - HN    ASN   35   5.55 +/- 0.68  11.971% * 23.7443% (0.97   1.71   0.02) =   4.188%  kept
          HN    LYS+ 102 - HN    ASN   35  15.60 +/- 5.07   0.949% *  0.2085% (0.73   0.02   0.02) =   0.003%
          HN    TRP   27 - HN    ASN   35  12.71 +/- 0.49   0.743% *  0.1181% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    ASN   35  20.66 +/- 4.03   0.234% *  0.2815% (0.98   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   35  26.55 +/- 2.32   0.091% *  0.0443% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 54.6:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  54.62) = 100.000%  kept
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 54.6:
      O   HA    ASN   35 - HN    ASN   35   2.81 +/- 0.05  89.119% * 99.5029% (0.98  10.0   4.55  54.62) =  99.993%  kept
          HA    LEU   40 - HN    ASN   35   8.60 +/- 1.34   5.157% *  0.0494% (0.49   1.0   0.02   0.02) =   0.003%
          HA    LYS+  99 - HN    ASN   35  13.15 +/- 4.84   2.041% *  0.0910% (0.90   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    ASN   35  24.14 +/- 8.16   1.374% *  0.1013% (1.00   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ASN   35  13.99 +/- 2.28   1.061% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  16.86 +/- 3.24   0.808% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  25.80 +/- 2.69   0.131% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  22.63 +/- 3.57   0.220% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.82 +/- 3.52   0.089% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 2.39, residual support = 158.4:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  98.330% * 99.6989% (0.90  10.0   2.39 158.42) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   7.84 +/- 1.30   1.380% *  0.1102% (0.99   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HE22  GLN   30  15.64 +/- 2.84   0.202% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  22.77 +/- 4.44   0.088% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 2.39, residual support = 158.4:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.696% * 99.8775% (0.92  10.0 10.00   2.39 158.42) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  14.84 +/- 2.80   0.229% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  21.98 +/- 3.56   0.074% *  0.0569% (0.53   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 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    VAL   42 - HN    GLN   30  12.86 +/- 1.97  17.826% *  6.4793% (0.25   0.02   0.02) =  31.446%  kept
          HA    GLN   90 - HN    GLN   30  23.16 +/- 3.62   2.534% * 25.0767% (0.97   0.02   0.02) =  17.303%  kept
          HA    PHE   55 - HN    GLN   30  25.33 +/- 3.77   2.714% * 21.7040% (0.84   0.02   0.02) =  16.036%  kept
          HA    ALA  110 - HN    GLN   30  26.81 +/- 3.11   1.740% * 25.9267% (1.00   0.02   0.02) =  12.281%  kept
          HA    VAL  107 - HN    GLN   30  22.71 +/- 1.65   2.666% *  8.8635% (0.34   0.02   0.02) =   6.434%  kept
          HA    VAL   42 - HN    LYS+  99   9.17 +/- 3.40  42.093% *  0.4257% (0.02   0.02   0.02) =   4.878%  kept
          HA    GLN   90 - HN    LYS+  99  19.82 +/- 3.15   9.897% *  1.6475% (0.06   0.02   0.02) =   4.439%  kept
          HA    ALA   91 - HN    GLN   30  24.77 +/- 2.40   1.836% *  5.7850% (0.22   0.02   0.02) =   2.892%  kept
          HA    ALA  110 - HN    LYS+  99  21.63 +/- 1.62   3.386% *  1.7034% (0.07   0.02   0.02) =   1.570%  kept
          HA    VAL  107 - HN    LYS+  99  14.32 +/- 0.48   9.722% *  0.5823% (0.02   0.02   0.02) =   1.541%  kept
          HA    PHE   55 - HN    LYS+  99  24.74 +/- 2.49   2.109% *  1.4259% (0.05   0.02   0.02) =   0.819%  kept
          HA    ALA   91 - HN    LYS+  99  21.77 +/- 2.44   3.477% *  0.3801% (0.01   0.02   0.02) =   0.360%  kept
    Distance limit 4.31 A violated in 20 structures by 3.55 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.793, support = 4.71, residual support = 37.8:
          HN    ALA   34 - HN    LYS+  33   2.43 +/- 0.13  58.890% * 79.2968% (0.90   4.61  41.78) =  85.168%  kept
          HN    GLN   32 - HN    LYS+  33   2.77 +/- 0.16  40.751% * 19.9527% (0.20   5.26  14.92) =  14.829%  kept
          HN    LEU   80 - HN    LYS+  33  20.15 +/- 4.86   0.272% *  0.3702% (0.97   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    LYS+  33  26.28 +/- 3.51   0.087% *  0.3802% (0.99   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 54.6:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00  99.570% * 99.5403% (0.73  10.0   2.00  54.62) = 100.000%  kept
          HD1   TRP   49 - HD22  ASN   35  30.17 +/- 6.39   0.114% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HD22  ASN   35  20.55 +/- 2.34   0.069% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  20.28 +/- 3.61   0.091% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.19 +/- 2.01   0.083% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  20.78 +/- 2.94   0.073% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.70 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   2.49 +/- 0.27  98.262% * 99.7986% (0.99 10.00   5.87  51.76) =  99.998%  kept
        T HN    LYS+  99 - HN    GLU-  36  16.14 +/- 5.02   1.132% *  0.1363% (0.14 10.00   0.02   0.02) =   0.002%
          HN    ALA   12 - HN    GLU-  36  18.93 +/- 4.55   0.606% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.433, support = 4.06, residual support = 12.1:
          HN    GLU-  36 - HN    SER   37   2.53 +/- 0.22  69.778% * 31.8628% (0.25   4.47  19.00) =  53.902%  kept
          HN    THR   39 - HN    SER   37   3.45 +/- 0.23  28.759% * 66.1039% (0.65   3.58   4.04) =  46.088%  kept
          HN    TRP   27 - HN    SER   37  15.18 +/- 0.97   0.338% *  0.5662% (0.99   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    SER   37  20.70 +/- 3.12   0.170% *  0.3924% (0.69   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    SER   37  16.24 +/- 5.43   0.600% *  0.0773% (0.14   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    SER   37  22.31 +/- 3.03   0.120% *  0.3465% (0.61   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    SER   37  21.08 +/- 4.28   0.177% *  0.2144% (0.38   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    SER   37  27.81 +/- 1.93   0.058% *  0.4366% (0.76   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.908, support = 4.96, residual support = 21.1:
          HN    THR   39 - HN    LYS+  38   2.73 +/- 0.14  67.044% * 80.0389% (0.95   5.28  23.11) =  90.085%  kept
          HN    GLU-  36 - HN    LYS+  38   3.56 +/- 0.24  31.045% * 19.0152% (0.57   2.10   2.53) =   9.910%  kept
          HN    LYS+ 102 - HN    LYS+  38  15.60 +/- 5.43   0.857% *  0.1203% (0.38   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    LYS+  38  15.65 +/- 0.77   0.373% *  0.2450% (0.76   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    LYS+  38  21.99 +/- 2.94   0.150% *  0.2960% (0.92   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    LYS+  38  20.47 +/- 3.20   0.216% *  0.1094% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  20.55 +/- 4.18   0.240% *  0.0434% (0.14   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  27.54 +/- 1.97   0.075% *  0.1318% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.65, residual support = 49.5:
      O   HA    ASN   35 - HN    GLU-  36   3.57 +/- 0.04  63.809% * 82.0157% (0.38  10.0   4.70  51.76) =  93.235%  kept
          HA    SER   37 - HN    GLU-  36   5.06 +/- 0.20  22.605% * 16.7021% (0.38   1.0   4.07  19.00) =   6.726%  kept
          HA    LEU   40 - HN    GLU-  36   9.62 +/- 1.27   4.793% *  0.2185% (1.00   1.0   0.02   0.02) =   0.019%
          HA    SER   13 - HN    GLU-  36  16.52 +/- 3.46   1.776% *  0.2067% (0.95   1.0   0.02   0.02) =   0.007%
          HA    GLU-  15 - HN    GLU-  36  14.08 +/- 2.34   1.494% *  0.2067% (0.95   1.0   0.02   0.02) =   0.006%
          HA    LYS+  99 - HN    GLU-  36  14.31 +/- 5.36   2.910% *  0.0545% (0.25   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    GLU-  36  25.22 +/- 8.12   0.986% *  0.1150% (0.53   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    GLU-  36  16.53 +/- 2.79   0.991% *  0.0820% (0.38   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLU-  36  24.03 +/- 3.65   0.265% *  0.2109% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLU-  36  24.84 +/- 2.02   0.211% *  0.0980% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  27.27 +/- 2.74   0.160% *  0.0898% (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 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.05, residual support = 86.3:
      O   HA    GLU-  36 - HN    GLU-  36   2.80 +/- 0.05  98.146% * 99.7892% (0.69  10.0   6.05  86.30) =  99.999%  kept
          HA    LYS+  66 - HN    GLU-  36  20.49 +/- 3.72   0.736% *  0.0998% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    GLU-  36  26.54 +/- 9.49   0.938% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  26.05 +/- 4.14   0.180% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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  89.433% * 99.4774% (0.97  10.0   4.47  29.72) =  99.992%  kept
          HA    LEU   40 - HN    SER   37   8.25 +/- 0.89   4.642% *  0.0542% (0.53   1.0   0.02   0.58) =   0.003%
          HA    GLU-  15 - HN    SER   37  13.20 +/- 2.97   1.837% *  0.0748% (0.73   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    SER   37  15.83 +/- 3.56   1.737% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    SER   37  15.65 +/- 3.20   1.063% *  0.0995% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    SER   37  13.67 +/- 0.69   0.894% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.33 +/- 1.90   0.170% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  23.31 +/- 3.49   0.225% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 19.0:
      O   HA    GLU-  36 - HN    SER   37   3.52 +/- 0.07  97.885% * 99.6452% (0.34  10.0   4.29  19.00) =  99.995%  kept
          HA    LYS+  66 - HN    SER   37  19.30 +/- 3.19   1.732% *  0.2819% (0.97   1.0   0.02   0.02) =   0.005%
          HA    LYS+  81 - HN    SER   37  26.00 +/- 3.63   0.383% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.727, support = 4.95, residual support = 20.5:
      O   HA    SER   37 - HN    LYS+  38   3.40 +/- 0.07  81.790% * 95.0646% (0.73  10.0   4.97  20.57) =  99.527%  kept
          HA    LEU   40 - HN    LYS+  38   7.33 +/- 0.41   8.422% *  4.2837% (0.84   1.0   0.78   0.78) =   0.462%  kept
          HA    GLU-  15 - HN    LYS+  38  13.53 +/- 2.79   2.810% *  0.1263% (0.97   1.0   0.02   0.02) =   0.005%
          HA    SER   13 - HN    LYS+  38  16.44 +/- 3.46   1.926% *  0.1263% (0.97   1.0   0.02   0.02) =   0.003%
          HA    GLN   17 - HN    LYS+  38  15.78 +/- 3.08   1.313% *  0.0951% (0.73   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    LYS+  38  24.04 +/- 7.83   1.515% *  0.0291% (0.22   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LYS+  38  23.04 +/- 3.65   0.351% *  0.1238% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    LYS+  38  13.20 +/- 0.48   1.423% *  0.0259% (0.20   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.16 +/- 1.93   0.254% *  0.1048% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  26.31 +/- 2.60   0.196% *  0.0202% (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 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 2.08, residual support = 2.53:
          HA    GLU-  36 - HN    LYS+  38   4.24 +/- 0.32  93.024% * 97.9472% (0.97   2.08   2.53) =  99.965%  kept
          HA    ALA  124 - HN    LYS+  38  25.41 +/- 8.94   3.197% *  0.4758% (0.49   0.02   0.02) =   0.017%
          HA    LYS+  66 - HN    LYS+  38  19.10 +/- 2.97   2.616% *  0.3334% (0.34   0.02   0.02) =   0.010%
          HA    LYS+  81 - HN    LYS+  38  25.95 +/- 3.49   0.677% *  0.8767% (0.90   0.02   0.02) =   0.007%
          HA    ARG+  54 - HN    LYS+  38  27.72 +/- 4.12   0.487% *  0.3669% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 36.9:
      O   HA    THR   39 - HN    THR   39   2.87 +/- 0.03  96.115% * 99.4345% (1.00  10.0   3.72  36.87) =  99.997%  kept
          HA    ILE  103 - HN    THR   39  15.54 +/- 3.67   0.833% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    THR   39  22.56 +/- 4.50   0.903% *  0.0603% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    THR   39  20.19 +/- 4.74   0.792% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  22.72 +/- 2.97   0.288% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.68 +/- 0.64   0.499% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  21.90 +/- 3.06   0.278% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  28.74 +/- 4.38   0.136% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  25.19 +/- 2.49   0.156% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 4.33, residual support = 25.0:
      O   HA    THR   39 - HN    LEU   40   2.26 +/- 0.06  97.751% * 99.4345% (1.00  10.0   4.33  24.98) =  99.998%  kept
          HA    ILE  103 - HN    LEU   40  13.62 +/- 3.87   0.653% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  13.87 +/- 0.60   0.431% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  20.49 +/- 3.50   0.312% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  18.97 +/- 3.27   0.229% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  21.32 +/- 2.59   0.144% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.61 +/- 4.39   0.266% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  25.84 +/- 4.44   0.117% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  23.39 +/- 2.20   0.096% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 0.997, support = 5.24, residual support = 104.5:
      O   HA    LEU   40 - HN    LEU   40   2.84 +/- 0.06  70.623% * 95.0339% (1.00  10.0   5.25 104.88) =  99.649%  kept
          HA    LYS+  99 - HN    LEU   40   9.83 +/- 6.21   6.981% *  1.6843% (0.25   1.0   1.42   9.29) =   0.175%  kept
          HA    SER   37 - HN    LEU   40   8.21 +/- 0.24   2.966% *  2.4981% (0.38   1.0   1.40   0.58) =   0.110%  kept
          HA    GLU-  15 - HN    LEU   40  12.46 +/- 4.37   9.816% *  0.3991% (0.95   1.0   0.09   0.02) =   0.058%
          HA    SER   13 - HN    LEU   40  16.48 +/- 3.89   2.966% *  0.0899% (0.95   1.0   0.02   0.02) =   0.004%
          HA    ASN   35 - HN    LEU   40   8.47 +/- 0.87   3.146% *  0.0357% (0.38   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    LEU   40  20.02 +/- 7.46   1.155% *  0.0500% (0.53   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   40  18.32 +/- 3.68   0.533% *  0.0917% (0.97   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   40  12.98 +/- 4.43   1.353% *  0.0357% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    LEU   40  19.48 +/- 1.65   0.244% *  0.0426% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.32 +/- 2.91   0.217% *  0.0391% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.5, residual support = 76.1:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.02  98.109% * 99.4222% (0.22  10.0   4.50  76.13) =  99.996%  kept
          HA    PHE   45 - HN    VAL   41  14.03 +/- 0.82   0.933% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   41  20.60 +/- 2.82   0.494% *  0.1676% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    VAL   41  18.22 +/- 1.96   0.464% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 5.13, residual support = 21.2:
      O   HA    LEU   40 - HN    VAL   41   2.28 +/- 0.07  76.596% * 97.5687% (1.00  10.0   5.14  21.29) =  99.607%  kept
          HA    LYS+  99 - HN    VAL   41   7.02 +/- 5.51  15.236% *  1.9075% (0.25   1.0   1.57   0.02) =   0.387%  kept
          HA    LEU  123 - HN    VAL   41  19.08 +/- 7.27   1.631% *  0.0513% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    VAL   41  14.02 +/- 4.00   2.206% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    VAL   41  14.25 +/- 3.38   0.719% *  0.0923% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    VAL   41  18.36 +/- 3.96   0.716% *  0.0923% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    VAL   41   9.11 +/- 1.33   1.458% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    VAL   41  17.05 +/- 3.37   0.309% *  0.0942% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.85 +/- 0.72   0.748% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  16.91 +/- 1.82   0.236% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  19.52 +/- 2.60   0.145% *  0.0401% (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 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.04, residual support = 22.3:
        T HN    LEU   98 - HN    VAL   41   6.95 +/- 4.41 100.000% *100.0000% (0.97 10.00   5.04  22.29) = 100.000%  kept
    Distance limit 4.19 A violated in 7 structures by 2.90 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.13, residual support = 4.45:
          HA    PHE   72 - HN    VAL   42   4.68 +/- 2.04 100.000% *100.0000% (0.22   1.13   4.45) = 100.000%  kept
    Distance limit 4.23 A violated in 4 structures by 0.96 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.3, residual support = 28.6:
      O   HA    VAL   41 - HN    VAL   42   2.27 +/- 0.07  98.317% * 99.4222% (0.22  10.0   5.30  28.65) =  99.996%  kept
          HA    PHE   45 - HN    VAL   42  10.56 +/- 0.66   1.029% *  0.3413% (0.76   1.0   0.02   0.02) =   0.004%
          HA    ASP-  78 - HN    VAL   42  17.46 +/- 1.86   0.317% *  0.1676% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    VAL   42  15.87 +/- 2.11   0.337% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 89.6:
      O   HA    VAL   42 - HN    VAL   42   2.90 +/- 0.03  93.389% * 99.6568% (0.87  10.0   5.45  89.61) =  99.997%  kept
          HA    GLN   17 - HN    VAL   42  12.58 +/- 4.93   3.211% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    VAL   42  19.54 +/- 2.71   0.394% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  13.22 +/- 0.77   1.031% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  17.46 +/- 1.27   0.456% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  13.58 +/- 1.41   1.124% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  19.61 +/- 3.02   0.394% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.99, residual support = 39.6:
      O   HA    VAL   42 - HN    VAL   43   2.24 +/- 0.04  96.297% * 99.7026% (1.00  10.0   4.99  39.57) =  99.998%  kept
          HA    THR   46 - HN    VAL   43  11.09 +/- 1.39   1.551% *  0.0566% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    VAL   43  14.67 +/- 4.47   0.972% *  0.0646% (0.65   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   43  16.92 +/- 0.71   0.229% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  14.25 +/- 1.03   0.394% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  17.96 +/- 2.19   0.229% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  16.44 +/- 2.67   0.328% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.274, support = 2.52, residual support = 4.77:
          HA    LYS+  74 - HN    ASP-  44   5.69 +/- 2.95  65.375% * 83.1023% (0.28   2.65   5.10) =  93.661%  kept
          HA    VAL   41 - HN    ASP-  44   8.03 +/- 0.74  25.604% * 13.7539% (0.20   0.62   0.02) =   6.071%  kept
          HA    MET   92 - HN    ASP-  44  11.90 +/- 1.28   6.243% *  1.9569% (0.87   0.02   0.02) =   0.211%  kept
          HA    HIS  122 - HN    ASP-  44  16.53 +/- 3.83   2.778% *  1.1869% (0.53   0.02   0.02) =   0.057%
    Distance limit 3.75 A violated in 3 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 = 16.4:
      O   HA    VAL   43 - HN    ASP-  44   2.25 +/- 0.10  97.507% * 99.8182% (0.87  10.0   3.90  16.39) =  99.999%  kept
          HA    LEU   71 - HN    ASP-  44  10.10 +/- 1.74   1.343% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASP-  44  13.27 +/- 2.59   0.734% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  14.21 +/- 1.22   0.416% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 3.85, residual support = 39.9:
      O   HA    ASP-  44 - HN    ASP-  44   2.89 +/- 0.03  92.470% * 98.9185% (0.49  10.0   3.85  39.92) =  99.991%  kept
          HB    THR   77 - HN    ASP-  44  10.72 +/- 2.70   2.615% *  0.0835% (0.41   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    ASP-  44  14.42 +/- 1.60   0.864% *  0.2028% (1.00   1.0   0.02   0.02) =   0.002%
          HA    LEU  104 - HN    ASP-  44  14.97 +/- 1.72   0.796% *  0.1396% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP-  44  18.33 +/- 3.17   0.475% *  0.1992% (0.98   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ASP-  44  12.40 +/- 1.55   1.504% *  0.0627% (0.31   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  44  14.48 +/- 1.38   0.815% *  0.0835% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP-  44  23.78 +/- 3.74   0.239% *  0.2032% (1.00   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP-  44  26.00 +/- 4.29   0.223% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.43, residual support = 27.1:
        T HN    THR   94 - HN    PHE   45   3.24 +/- 1.05  93.197% * 99.8815% (0.84 10.00   3.43  27.12) =  99.991%  kept
          HN    GLU-  79 - HN    PHE   45  10.81 +/- 1.89   6.803% *  0.1185% (0.99  1.00   0.02   0.02) =   0.009%
    Distance limit 4.16 A violated in 1 structures by 0.16 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.74, residual support = 80.0:
          QD    PHE   45 - HN    PHE   45   2.37 +/- 0.76  97.838% * 98.5701% (0.53   5.74  80.03) =  99.987%  kept
          HD2   HIS  122 - HN    PHE   45  13.49 +/- 2.44   1.199% *  0.6304% (0.97   0.02   0.02) =   0.008%
          HE22  GLN  116 - HN    PHE   45  17.19 +/- 1.65   0.644% *  0.6179% (0.95   0.02   0.02) =   0.004%
          HE22  GLN   17 - HN    PHE   45  19.72 +/- 4.12   0.319% *  0.1816% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.02 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   3.96 +/- 0.99 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.63 A violated in 1 structures by 0.20 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.96, residual support = 80.0:
      O   HA    PHE   45 - HN    PHE   45   2.91 +/- 0.03  96.186% * 99.9134% (0.99  10.0   3.96  80.03) =  99.999%  kept
          HA    VAL   41 - HN    PHE   45  11.45 +/- 0.76   1.666% *  0.0530% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    PHE   45  12.45 +/- 2.37   1.489% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  16.78 +/- 2.91   0.659% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 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   2.32 +/- 0.17  91.146% * 97.5246% (1.00  10.0   4.07  19.16) =  99.924%  kept
          HB    THR   77 - HN    PHE   45   9.51 +/- 3.75   3.416% *  1.8938% (0.99   1.0   0.39  10.19) =   0.073%
          HA    ILE  103 - HN    PHE   45  13.02 +/- 1.22   0.649% *  0.0923% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    PHE   45  12.79 +/- 1.35   0.594% *  0.0967% (0.99   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    PHE   45  12.49 +/- 1.57   0.780% *  0.0592% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    PHE   45  10.80 +/- 2.47   1.889% *  0.0171% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  13.84 +/- 1.65   0.531% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  13.72 +/- 0.95   0.467% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  17.59 +/- 0.81   0.248% *  0.0513% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  29.47 +/- 4.42   0.070% *  0.0973% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  21.83 +/- 3.09   0.136% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.27 +/- 3.77   0.074% *  0.0475% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.222, support = 4.38, residual support = 12.4:
          QD    PHE   45 - HN    THR   46   4.37 +/- 0.57  90.159% * 90.6626% (0.22   4.39  12.38) =  99.809%  kept
          HE22  GLN   17 - HN    THR   46  20.71 +/- 4.43   1.475% *  5.0893% (0.61   0.09   0.02) =   0.092%
          HD2   HIS  122 - HN    THR   46  16.37 +/- 2.29   2.404% *  1.7564% (0.95   0.02   0.02) =   0.052%
          HE22  GLN  116 - HN    THR   46  18.98 +/- 2.56   1.389% *  1.7918% (0.97   0.02   0.02) =   0.030%
          HE22  GLN   90 - HN    THR   46  14.22 +/- 2.25   3.689% *  0.2865% (0.15   0.02   0.02) =   0.013%
          HE22  GLN   32 - HN    THR   46  24.09 +/- 3.32   0.884% *  0.4134% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.57 A violated in 0 structures by 0.12 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 2.7, residual support = 3.71:
          HA    ASP-  76 - HN    THR   46   6.67 +/- 4.54  80.232% * 98.7987% (0.53   2.71   3.72) =  99.701%  kept
          HA    LEU   67 - HN    THR   46  15.72 +/- 2.38  19.768% *  1.2013% (0.87   0.02   0.02) =   0.299%  kept
    Distance limit 4.08 A violated in 12 structures by 2.85 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  96.686% * 99.9017% (0.76  10.0   3.96  12.38) =  99.999%  kept
          HA    ASP-  78 - HN    THR   46  10.21 +/- 4.03   2.268% *  0.0491% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    THR   46  14.03 +/- 1.66   0.546% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  16.02 +/- 3.64   0.500% *  0.0202% (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 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   2.90 +/- 0.05  86.852% * 99.4016% (0.57  10.0   3.25  34.14) =  99.988%  kept
          HA    GLN   90 - HN    THR   46   9.61 +/- 2.82   8.076% *  0.0599% (0.34   1.0   0.02   0.02) =   0.006%
          HA    VAL   42 - HN    THR   46  11.54 +/- 1.18   1.764% *  0.1752% (1.00   1.0   0.02   0.02) =   0.004%
          HA    PHE   55 - HN    THR   46  13.64 +/- 2.13   1.318% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   46  18.32 +/- 4.75   0.609% *  0.1136% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    THR   46  13.95 +/- 2.70   1.227% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   46  24.43 +/- 1.86   0.154% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 3.2, residual support = 10.9:
          HN    THR   77 - HN    THR   46   6.31 +/- 4.98 100.000% *100.0000% (1.00   3.20  10.89) = 100.000%  kept
    Distance limit 4.74 A violated in 6 structures by 2.44 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 2.28, residual support = 10.7:
      O   HA    ALA   47 - HN    ALA   47   2.90 +/- 0.04  61.115% * 96.8065% (0.90  10.0   2.31  10.76) =  98.522%  kept
          HA    CYS   50 - HN    ALA   47   4.71 +/- 1.70  30.012% *  2.9393% (0.73   1.0   0.75   6.88) =   1.469%  kept
          HA    TRP   49 - HN    ALA   47   6.81 +/- 0.77   5.875% *  0.0568% (0.53   1.0   0.02  15.67) =   0.006%
          HA    VAL  108 - HN    ALA   47  12.34 +/- 2.43   1.042% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    ALA   47  14.34 +/- 3.10   0.718% *  0.0741% (0.69   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA   47  17.17 +/- 3.44   1.239% *  0.0368% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 3.92 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   2.56 +/- 0.19  90.342% * 99.4016% (0.57  10.0   3.07  11.18) =  99.992%  kept
          HA    GLN   90 - HN    ALA   47  10.80 +/- 3.28   4.633% *  0.0599% (0.34   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    ALA   47  11.47 +/- 2.04   2.475% *  0.0924% (0.53   1.0   0.02   0.02) =   0.003%
          HA    VAL   42 - HN    ALA   47  14.71 +/- 1.83   0.861% *  0.1752% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ALA  110 - HN    ALA   47  13.12 +/- 3.11   1.369% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ALA   47  20.72 +/- 4.62   0.224% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  27.41 +/- 2.74   0.096% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 4.11, residual support = 14.2:
        T HN    TRP   49 - HN    SER   48   2.70 +/- 0.17  79.006% * 93.5735% (0.84 10.00   4.14  14.40) =  98.329%  kept
          HN    CYS   50 - HN    SER   48   4.71 +/- 1.05  19.748% *  6.3583% (0.61  1.00   1.87   0.02) =   1.670%  kept
          HN    VAL   83 - HN    SER   48  14.59 +/- 3.64   0.870% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  20.23 +/- 3.46   0.376% *  0.0461% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 6.29:
      O   HA    ALA   47 - HN    SER   48   2.32 +/- 0.10  84.580% * 88.2294% (0.90  10.0   2.21   6.24) =  98.960%  kept
          HA    TRP   49 - HN    SER   48   5.23 +/- 0.12   7.567% *  8.1085% (0.53   1.0   3.13  14.40) =   0.814%  kept
          HA    CYS   50 - HN    SER   48   6.39 +/- 0.96   4.853% *  3.4822% (0.73   1.0   0.97   0.02) =   0.224%  kept
          HA    CYS   21 - HN    SER   48  18.19 +/- 4.40   2.153% *  0.0336% (0.34   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    SER   48  14.93 +/- 2.98   0.490% *  0.0788% (0.80   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    SER   48  16.73 +/- 3.67   0.357% *  0.0676% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 4.89, residual support = 85.9:
          HD1   TRP   49 - HN    TRP   49   2.68 +/- 1.04  73.915% * 98.2862% (0.92   4.89  85.95) =  99.892%  kept
          HD2   HIS   22 - HN    TRP   49  20.38 +/- 5.12  15.172% *  0.3485% (0.80   0.02   0.02) =   0.073%
          QE    PHE   95 - HN    TRP   49  11.57 +/- 2.97   3.665% *  0.2816% (0.65   0.02   0.02) =   0.014%
          HN    THR   23 - HN    TRP   49  19.74 +/- 4.01   2.188% *  0.2990% (0.69   0.02   0.02) =   0.009%
          HN    LEU   67 - HN    TRP   49  19.15 +/- 3.71   0.901% *  0.4267% (0.98   0.02   0.02) =   0.005%
          QD    PHE   55 - HN    TRP   49  11.98 +/- 1.56   2.471% *  0.1085% (0.25   0.02   0.02) =   0.004%
          HD21  ASN   35 - HN    TRP   49  29.40 +/- 5.68   0.785% *  0.1634% (0.38   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    TRP   49  19.48 +/- 3.16   0.904% *  0.0861% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 1 structures by 0.12 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.14, residual support = 14.4:
        T HN    SER   48 - HN    TRP   49   2.70 +/- 0.17 100.000% *100.0000% (0.84 10.00   4.14  14.40) = 100.000%  kept
    Distance limit 3.76 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 = 0.937, support = 2.23, residual support = 6.57:
      O   HA    CYS   50 - HN    CYS   50   2.48 +/- 0.31  54.876% * 51.6505% (0.98  10.0   1.97   7.59) =  62.442%  kept
      O   HA    TRP   49 - HN    CYS   50   3.07 +/- 0.43  36.430% * 46.4122% (0.87  10.0   2.68   4.86) =  37.249%  kept
          HA    ALA   47 - HN    CYS   50   5.24 +/- 1.26   7.742% *  1.8067% (0.57   1.0   1.19   6.88) =   0.308%  kept
          HA1   GLY  109 - HN    CYS   50  16.70 +/- 3.90   0.257% *  0.0516% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  15.30 +/- 3.29   0.400% *  0.0240% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  19.47 +/- 3.96   0.199% *  0.0368% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  25.32 +/- 4.23   0.097% *  0.0183% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.86, support = 4.54, residual support = 80.4:
      O   HA    TRP   49 - HN    TRP   49   2.86 +/- 0.09  59.069% * 79.3436% (0.87  10.0   4.67  85.95) =  92.644%  kept
          HA    ALA   47 - HN    TRP   49   3.91 +/- 0.29  24.681% *  7.8791% (0.57   1.0   3.04  15.67) =   3.844%  kept
          HA    CYS   50 - HN    TRP   49   4.77 +/- 0.51  14.142% * 12.5540% (0.98   1.0   2.80   4.86) =   3.509%  kept
          HA    CYS   21 - HN    TRP   49  19.53 +/- 4.14   0.885% *  0.0628% (0.69   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    TRP   49  16.95 +/- 3.82   0.424% *  0.0883% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    TRP   49  15.51 +/- 3.19   0.594% *  0.0410% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  25.04 +/- 5.03   0.204% *  0.0312% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.31, residual support = 85.9:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  91.754% * 99.6863% (0.92  10.0   2.31  85.95) =  99.997%  kept
          QE    PHE   95 - HE1   TRP   49  11.14 +/- 2.96   6.641% *  0.0240% (0.22   1.0   0.02   0.02) =   0.002%
          HD21  ASN   35 - HE1   TRP   49  28.80 +/- 6.20   0.414% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  21.36 +/- 3.80   0.346% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  19.34 +/- 4.36   0.565% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  20.56 +/- 3.18   0.280% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.05 +/- 0.42  66.446% * 95.0504% (0.98  10.0   1.38   1.36) =  98.361%  kept
          HA    TRP   49 - HN    GLY   51   5.06 +/- 1.03  23.055% *  4.5269% (0.87   1.0   0.74   0.02) =   1.625%  kept
          HA    ALA   47 - HN    GLY   51   7.22 +/- 1.44   7.855% *  0.0796% (0.57   1.0   0.02   0.02) =   0.010%
          HA1   GLY  109 - HN    GLY   51  16.65 +/- 3.48   0.687% *  0.1356% (0.97   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    GLY   51  20.43 +/- 4.11   0.791% *  0.0965% (0.69   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    GLY   51  15.62 +/- 2.84   0.922% *  0.0630% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HN    GLY   51  26.32 +/- 4.64   0.244% *  0.0479% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.73, residual support = 10.2:
      O   HA1   GLY   51 - HN    GLY   51   2.52 +/- 0.31  91.469% * 99.5416% (0.92  10.0   2.73  10.17) =  99.994%  kept
          HA    GLU-  79 - HN    GLY   51  17.41 +/- 5.03   2.911% *  0.0824% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ALA   57 - HN    GLY   51  10.35 +/- 1.60   2.173% *  0.1069% (0.99   1.0   0.02   0.02) =   0.003%
          HB    THR   77 - HN    GLY   51  13.56 +/- 5.42   1.225% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  13.50 +/- 1.58   0.955% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  22.93 +/- 4.27   0.461% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  26.18 +/- 4.25   0.180% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  19.35 +/- 3.50   0.322% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  20.09 +/- 2.58   0.248% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  35.10 +/- 6.29   0.056% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.18, residual support = 31.7:
        T HN    ARG+  54 - HN    CYS   53   2.69 +/- 0.15  98.079% * 99.1159% (0.98 10.00   6.18  31.75) =  99.989%  kept
        T HN    ASP-  62 - HN    CYS   53  12.33 +/- 1.88   1.397% *  0.7343% (0.73 10.00   0.02   0.02) =   0.011%
          HN    LEU   31 - HN    CYS   53  23.61 +/- 3.63   0.411% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  28.04 +/- 3.23   0.112% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.18, residual support = 31.7:
        T HN    CYS   53 - HN    ARG+  54   2.69 +/- 0.15  96.032% * 99.6035% (0.85 10.00   6.18  31.75) =  99.996%  kept
        T HN    CYS   53 - HN    ASP-  62  12.33 +/- 1.88   1.368% *  0.1864% (0.16 10.00   0.02   0.02) =   0.003%
          HN    LEU   80 - HN    ARG+  54  18.21 +/- 3.87   0.559% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.83 +/- 4.36   0.393% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  25.75 +/- 3.23   0.193% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  17.19 +/- 2.19   0.463% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  18.37 +/- 3.01   0.402% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  18.43 +/- 4.26   0.590% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.516, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ARG+  54  21.87 +/- 4.48  12.087% * 31.3037% (0.72   0.02   0.02) =  30.090%  kept
          HN    TRP   87 - HN    ARG+  54  20.15 +/- 2.49  12.054% * 29.7440% (0.69   0.02   0.02) =  28.511%  kept
          HD21  ASN   69 - HN    ASP-  62  14.05 +/- 2.01  30.863% *  5.8573% (0.14   0.02   0.02) =  14.376%  kept
          HN    GLN   17 - HN    ARG+  54  23.73 +/- 3.01   6.791% * 23.1904% (0.54   0.02   0.02) =  12.525%  kept
          HN    GLN   17 - HN    ASP-  62  15.46 +/- 2.64  24.718% *  4.3392% (0.10   0.02   0.02) =   8.530%  kept
          HN    TRP   87 - HN    ASP-  62  19.31 +/- 2.03  13.487% *  5.5654% (0.13   0.02   0.02) =   5.969%  kept
    Distance limit 3.91 A violated in 20 structures by 8.22 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 = 22.1:
          HN    PHE   55 - HN    ILE   56   2.59 +/- 0.19  91.485% * 99.1151% (0.95   3.93  22.07) =  99.993%  kept
          HN    ASP-  62 - HN    ILE   56   9.23 +/- 0.75   2.281% *  0.1646% (0.31   0.02   0.02) =   0.004%
          HN    ALA   88 - HN    ILE   56  20.43 +/- 2.19   0.225% *  0.4625% (0.87   0.02   0.02) =   0.001%
          HN    LEU   31 - HN    ILE   56  22.72 +/- 3.24   0.377% *  0.2001% (0.38   0.02   0.02) =   0.001%
          HN    ALA   88 - HZ2   TRP   87   8.52 +/- 0.25   2.702% *  0.0201% (0.04   0.02   4.96) =   0.001%
          HN    LEU   31 - HZ2   TRP   87  13.98 +/- 6.22   2.390% *  0.0087% (0.02   0.02   1.72) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.68 +/- 1.71   0.177% *  0.0219% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  17.63 +/- 1.94   0.361% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.866, support = 5.03, residual support = 31.0:
          HN    ALA   57 - HN    ILE   56   3.32 +/- 0.65  82.026% * 91.0969% (0.87   5.10  31.47) =  98.626%  kept
          HE21  GLN  116 - HN    ILE   56  11.12 +/- 3.41  12.445% *  8.3110% (0.80   0.50   0.02) =   1.365%  kept
          HN    ALA  120 - HN    ILE   56  12.87 +/- 1.60   2.361% *  0.1694% (0.41   0.02   0.02) =   0.005%
          HE21  GLN   90 - HN    ILE   56  19.64 +/- 3.44   0.631% *  0.3695% (0.90   0.02   0.02) =   0.003%
          HE21  GLN   90 - HZ2   TRP   87  14.76 +/- 1.57   1.316% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  20.34 +/- 1.57   0.467% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  23.82 +/- 2.12   0.293% *  0.0143% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  21.55 +/- 3.43   0.461% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.28 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.158, support = 5.0, residual support = 124.4:
      O   HA    ILE   56 - HN    ILE   56   2.80 +/- 0.17  76.921% * 87.8287% (0.15  10.0   5.03 125.03) =  99.466%  kept
          HA    PRO   58 - HN    ILE   56   7.80 +/- 0.44   3.822% *  8.9137% (0.95   1.0   0.33   0.02) =   0.502%  kept
          HA    THR   46 - HN    ILE   56   9.54 +/- 2.04   3.292% *  0.4558% (0.80   1.0   0.02   0.02) =   0.022%
          HA    GLN   17 - HZ2   TRP   87  19.51 +/- 5.95   7.102% *  0.0179% (0.03   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HN    ILE   56  20.98 +/- 3.11   0.244% *  0.4755% (0.84   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    ILE   56  20.71 +/- 2.80   0.223% *  0.4133% (0.73   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ILE   56  15.99 +/- 2.69   0.583% *  0.1267% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ILE   56  24.55 +/- 2.41   0.127% *  0.5493% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ILE   56  16.14 +/- 2.22   0.561% *  0.1126% (0.20   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ILE   56  28.13 +/- 3.71   0.099% *  0.5493% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    ILE   56  28.15 +/- 3.02   0.092% *  0.4133% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HZ2   TRP   87  21.15 +/- 5.68   1.450% *  0.0238% (0.04   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HZ2   TRP   87  14.48 +/- 3.82   0.891% *  0.0206% (0.04   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  14.34 +/- 2.01   0.681% *  0.0198% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  10.06 +/- 2.71   2.744% *  0.0049% (0.01   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  25.08 +/- 5.73   0.289% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  19.92 +/- 2.19   0.250% *  0.0234% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  21.13 +/- 4.36   0.233% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  24.41 +/- 4.50   0.172% *  0.0055% (0.01   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  20.70 +/- 2.19   0.223% *  0.0038% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.1, residual support = 31.4:
          HN    ILE   56 - HN    ALA   57   3.32 +/- 0.65  83.703% * 98.5456% (0.98   5.10  31.47) =  99.947%  kept
          HN    LEU   63 - HN    ALA   57   8.76 +/- 0.76   6.707% *  0.3641% (0.92   0.02   0.02) =   0.030%
          HN    LYS+ 111 - HN    ALA   57  13.42 +/- 2.52   3.008% *  0.3537% (0.90   0.02   0.02) =   0.013%
          HD21  ASN   28 - HN    ALA   57  21.65 +/- 4.72   5.355% *  0.1217% (0.31   0.02   0.02) =   0.008%
          HN    ALA   84 - HN    ALA   57  20.01 +/- 2.35   0.464% *  0.3537% (0.90   0.02   0.02) =   0.002%
          HE21  GLN   32 - HN    ALA   57  27.97 +/- 4.06   0.283% *  0.1920% (0.49   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   57  20.34 +/- 1.57   0.479% *  0.0691% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.27 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.28, residual support = 20.2:
        T HN    PHE   60 - HN    PHE   59   2.67 +/- 0.19  93.304% * 97.7864% (0.47 10.00   4.28  20.19) =  99.979%  kept
        T HN    THR  118 - HN    PHE   59   9.44 +/- 0.91   2.420% *  0.6051% (0.29 10.00   0.02  12.22) =   0.016%
        T HN    GLU-  15 - HN    PHE   59  22.46 +/- 2.68   0.217% *  1.5803% (0.76 10.00   0.02   0.02) =   0.004%
          HN    GLN  116 - HN    PHE   59   8.59 +/- 1.16   4.059% *  0.0282% (0.14  1.00   0.02   0.27) =   0.001%
    Distance limit 3.36 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 = 0.276, support = 4.64, residual support = 54.9:
      O   HA    PHE   59 - HN    PHE   59   2.80 +/- 0.05  64.860% * 83.7407% (0.24  10.0   4.95  57.80) =  91.747%  kept
          HA    ILE   56 - HN    PHE   59   3.94 +/- 0.84  32.046% * 15.2257% (0.69   1.0   1.25  22.18) =   8.242%  kept
          HA    ASP- 113 - HN    PHE   59  11.14 +/- 1.28   1.346% *  0.2433% (0.69   1.0   0.02   0.02) =   0.006%
          HA    LEU  123 - HN    PHE   59  12.18 +/- 1.49   0.984% *  0.2173% (0.62   1.0   0.02   0.02) =   0.004%
          HA    LYS+  99 - HN    PHE   59  19.48 +/- 2.96   0.270% *  0.2689% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   59  23.76 +/- 3.03   0.125% *  0.2505% (0.71   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    PHE   59  17.97 +/- 3.07   0.369% *  0.0537% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.75 +/- 0.18  93.689% * 99.2309% (0.76  10.0   4.46  24.24) =  99.993%  kept
          HA1   GLY   51 - HN    ALA   57  10.85 +/- 1.23   1.872% *  0.1273% (0.98   1.0   0.02   0.02) =   0.003%
          HA    GLU-  79 - HN    ALA   57  19.59 +/- 4.27   1.227% *  0.1287% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   57  11.39 +/- 1.41   1.575% *  0.0683% (0.53   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   57  15.84 +/- 3.65   0.806% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   57  20.10 +/- 2.53   0.314% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  22.40 +/- 3.42   0.226% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  22.12 +/- 1.94   0.200% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  31.69 +/- 5.01   0.090% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.976, support = 4.6, residual support = 31.3:
      O   HA    ILE   56 - HN    ALA   57   2.88 +/- 0.43  77.419% * 90.7527% (0.99  10.0   4.58  31.47) =  97.739%  kept
          HA    PRO   58 - HN    ALA   57   4.91 +/- 0.30  18.370% *  8.8311% (0.34   1.0   5.66  25.50) =   2.257%  kept
          HA    LEU  123 - HN    ALA   57  14.46 +/- 2.72   1.219% *  0.0914% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ASP- 113 - HN    ALA   57  11.74 +/- 1.63   1.790% *  0.0518% (0.57   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ALA   57  21.65 +/- 2.87   0.251% *  0.0821% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  19.91 +/- 3.42   0.422% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  25.67 +/- 3.21   0.159% *  0.0897% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  22.97 +/- 2.65   0.210% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  26.48 +/- 4.00   0.160% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 5.24, residual support = 41.6:
        T HN    PHE   60 - HN    ALA   61   2.80 +/- 0.20  96.851% * 97.7864% (0.61 10.00   5.24  41.63) =  99.984%  kept
        T HN    THR  118 - HN    ALA   61  12.32 +/- 1.03   1.271% *  0.6051% (0.38 10.00   0.02   0.02) =   0.008%
        T HN    GLU-  15 - HN    ALA   61  18.95 +/- 2.93   0.427% *  1.5803% (0.98 10.00   0.02   0.02) =   0.007%
          HN    GLN  116 - HN    ALA   61  11.96 +/- 1.23   1.451% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.55, support = 4.39, residual support = 33.2:
          QD    PHE   60 - HN    ALA   61   3.12 +/- 0.56  62.359% * 49.3389% (0.57   4.77  41.63) =  79.491%  kept
          HN    PHE   59 - HN    ALA   61   4.48 +/- 0.37  26.246% * 24.1351% (0.41   3.21   0.51) =  16.366%  kept
          QE    PHE   59 - HN    ALA   61   7.50 +/- 0.88   6.081% * 26.0764% (0.80   1.78   0.51) =   4.097%  kept
          HN    LYS+  66 - HN    ALA   61   8.10 +/- 0.97   4.968% *  0.3585% (0.98   0.02   0.02) =   0.046%
          HN    LYS+  81 - HN    ALA   61  19.33 +/- 2.33   0.346% *  0.0912% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.13 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 = 0.952, support = 0.886, residual support = 0.867:
          HA    PRO   58 - HN    ALA   61   4.07 +/- 0.66  66.568% * 78.0147% (0.97   0.90   0.86) =  97.604%  kept
          HA    ILE   56 - HN    ALA   61   7.47 +/- 0.95  13.053% *  7.0338% (0.41   0.19   1.60) =   1.726%  kept
          HA    GLN   17 - HN    ALA   61  14.24 +/- 3.29   2.604% *  6.2476% (0.38   0.19   0.02) =   0.306%  kept
          HA    LEU   40 - HN    ALA   61  15.20 +/- 3.37   3.933% *  1.7886% (1.00   0.02   0.02) =   0.132%  kept
          HA    THR   46 - HN    ALA   61  10.69 +/- 2.47   5.703% *  0.8019% (0.45   0.02   0.02) =   0.086%
          HA    LEU  123 - HN    ALA   61  13.95 +/- 1.50   2.497% *  0.9410% (0.53   0.02   0.02) =   0.044%
          HA    GLU-  15 - HN    ALA   61  17.97 +/- 2.49   1.310% *  1.6919% (0.95   0.02   0.02) =   0.042%
          HA    SER   13 - HN    ALA   61  21.50 +/- 3.67   0.751% *  1.6919% (0.95   0.02   0.02) =   0.024%
          HA    LYS+  99 - HN    ALA   61  17.78 +/- 3.24   1.920% *  0.4460% (0.25   0.02   0.02) =   0.016%
          HA    ASN   35 - HN    ALA   61  20.82 +/- 3.21   0.903% *  0.6713% (0.38   0.02   0.02) =   0.011%
          HA    SER   37 - HN    ALA   61  21.87 +/- 3.19   0.758% *  0.6713% (0.38   0.02   0.02) =   0.010%
    Distance limit 4.03 A violated in 0 structures by 0.28 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.531, support = 1.56, residual support = 0.957:
          HA    ALA   57 - HN    ALA   61   4.98 +/- 1.41  54.697% * 49.4368% (0.41   1.87   1.21) =  73.245%  kept
          HA    ASP-  44 - HN    ALA   61   8.37 +/- 1.68  23.061% * 41.9329% (0.87   0.75   0.26) =  26.194%  kept
          HA    THR   39 - HN    ALA   61  17.42 +/- 3.39   4.546% *  1.0768% (0.84   0.02   0.02) =   0.133%  kept
          HA    ILE  103 - HN    ALA   61  17.27 +/- 2.84   3.346% *  1.2636% (0.98   0.02   0.02) =   0.115%  kept
          HB    THR   77 - HN    ALA   61  14.50 +/- 2.67   3.137% *  1.1900% (0.92   0.02   0.02) =   0.101%  kept
          HA1   GLY   51 - HN    ALA   61  14.66 +/- 1.57   2.778% *  0.9361% (0.73   0.02   0.02) =   0.070%
          HA    GLU-  79 - HN    ALA   61  17.26 +/- 3.19   1.950% *  1.1561% (0.90   0.02   0.02) =   0.061%
          HA    SER   85 - HN    ALA   61  21.16 +/- 1.68   1.036% *  1.1900% (0.92   0.02   0.02) =   0.033%
          HA    MET   11 - HN    ALA   61  26.92 +/- 4.47   0.638% *  1.0768% (0.84   0.02   0.02) =   0.019%
          HA    GLU-  14 - HN    ALA   61  19.26 +/- 2.94   2.962% *  0.1989% (0.15   0.02   0.02) =   0.016%
          HA    ALA   12 - HN    ALA   61  24.52 +/- 3.54   0.915% *  0.2870% (0.22   0.02   0.02) =   0.007%
          HA    ASP-  86 - HN    ALA   61  21.75 +/- 1.98   0.934% *  0.2551% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.55 A violated in 3 structures by 0.57 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.84, residual support = 42.3:
        T HN    ASP-  62 - HN    LEU   63   2.64 +/- 0.20  95.257% * 99.7221% (0.98 10.00   5.84  42.31) =  99.996%  kept
          HN    ARG+  54 - HN    LEU   63  12.41 +/- 2.23   2.261% *  0.0939% (0.92  1.00   0.02   0.02) =   0.002%
          HN    LEU   31 - HN    LEU   63  16.35 +/- 3.15   0.760% *  0.0962% (0.95  1.00   0.02   0.02) =   0.001%
          HN    PHE   55 - HN    LEU   63  12.06 +/- 1.74   1.425% *  0.0382% (0.38  1.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    LEU   63  19.28 +/- 2.35   0.297% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.86, residual support = 54.9:
        T HN    ALA   64 - HN    LEU   63   2.75 +/- 0.20 100.000% *100.0000% (0.97 10.00   6.86  54.87) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 414 (6.91, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.84, residual support = 29.3:
        T HN    LYS+  65 - HN    ALA   64   2.62 +/- 0.24 100.000% *100.0000% (0.97 10.00   4.84  29.35) = 100.000%  kept
    Distance limit 3.62 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 = 6.86, residual support = 54.9:
          HN    LEU   63 - HN    ALA   64   2.75 +/- 0.20  95.454% * 99.0096% (0.99   6.86  54.87) =  99.991%  kept
          HN    ILE   56 - HN    ALA   64  11.77 +/- 1.23   1.325% *  0.2756% (0.95   0.02   0.02) =   0.004%
          HD21  ASN   28 - HN    ALA   64  16.32 +/- 3.75   1.253% *  0.1767% (0.61   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    ALA   64  18.00 +/- 3.00   0.563% *  0.1767% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   64  15.88 +/- 2.42   0.684% *  0.1198% (0.41   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   64  17.75 +/- 1.51   0.412% *  0.1767% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   64  21.27 +/- 3.27   0.309% *  0.0649% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (6.47, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.667, support = 4.84, residual support = 29.3:
        T HN    ALA   64 - HN    LYS+  65   2.62 +/- 0.24 100.000% *100.0000% (0.67 10.00   4.84  29.35) = 100.000%  kept
    Distance limit 3.49 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 = 6.35, residual support = 29.7:
          HN    LYS+  66 - HN    LYS+  65   2.65 +/- 0.16  87.172% * 93.2446% (0.68   6.39  29.94) =  99.312%  kept
          QD    PHE   60 - HN    LYS+  65   6.26 +/- 0.92   8.799% *  6.3204% (0.39   0.75   0.02) =   0.680%  kept
          QE    PHE   59 - HN    LYS+  65  10.19 +/- 1.16   1.740% *  0.2384% (0.55   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    LYS+  65   9.64 +/- 1.05   2.009% *  0.1224% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    LYS+  65  19.28 +/- 2.41   0.279% *  0.0742% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.666, support = 1.1, residual support = 4.15:
          HA    ASP-  62 - HN    LYS+  65   3.69 +/- 0.45  96.205% * 96.5650% (0.67   1.10   4.15) =  99.940%  kept
          HB    THR   26 - HN    LYS+  65  15.86 +/- 3.39   2.316% *  1.7991% (0.68   0.02   0.02) =   0.045%
          HA    SER  117 - HN    LYS+  65  17.55 +/- 1.90   0.935% *  1.3181% (0.50   0.02   0.02) =   0.013%
          HA    SER   82 - HN    LYS+  65  22.19 +/- 2.34   0.544% *  0.3179% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.12 A violated in 0 structures by 0.05 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.39, residual support = 29.9:
        T HN    LYS+  65 - HN    LYS+  66   2.65 +/- 0.16 100.000% *100.0000% (0.97 10.00   6.39  29.94) = 100.000%  kept
    Distance limit 3.26 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 = 118.0:
      O   HA    LYS+  66 - HN    LYS+  66   2.90 +/- 0.04  99.144% * 99.9389% (0.97  10.0   5.17 118.02) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  21.54 +/- 3.08   0.373% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  20.31 +/- 2.94   0.483% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0836, support = 2.63, residual support = 46.7:
          HD22  ASN   28 - HE3   TRP   27   5.22 +/- 0.38  80.946% * 94.3617% (0.08   2.66  47.32) =  98.613%  kept
          HD22  ASN   28 - HN    LEU   67  16.97 +/- 4.63  19.054% *  5.6383% (0.61   0.02   0.02) =   1.387%  kept
    Distance limit 4.51 A violated in 0 structures by 0.61 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.0, residual support = 59.3:
      O   HA    LEU   67 - HN    LEU   67   2.67 +/- 0.23  93.405% * 99.9623% (1.00  10.0   6.00  59.32) =  99.999%  kept
          HA    ASP-  76 - HN    LEU   67  13.66 +/- 2.21   1.026% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  14.05 +/- 2.93   1.288% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HE3   TRP   27  11.31 +/- 2.70   4.281% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 4.93, residual support = 14.1:
      O   HA    LYS+  66 - HN    LEU   67   3.50 +/- 0.13  93.808% * 99.9186% (0.97  10.0   4.93  14.08) =  99.999%  kept
          HA    GLU-  36 - HN    LEU   67  20.03 +/- 2.95   0.770% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  15.59 +/- 2.82   1.774% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  20.79 +/- 2.57   0.646% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.07 +/- 1.24   1.268% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  15.94 +/- 4.67   1.734% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 27.0:
        T HN    VAL   70 - HN    ASN   69   2.41 +/- 0.63  99.281% * 99.9644% (0.87 10.00   4.26  27.00) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.20 +/- 2.76   0.719% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.47, residual support = 60.9:
      O   HA    ASN   69 - HN    ASN   69   2.78 +/- 0.21  98.551% * 99.8231% (0.76  10.0   5.47  60.89) =  99.999%  kept
          HA    VAL   43 - HN    ASN   69  13.01 +/- 1.11   1.053% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASN   69  19.65 +/- 2.53   0.396% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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  99.720% * 99.9103% (0.52  10.0 10.00   3.13  60.89) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.22 +/- 1.86   0.217% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  23.74 +/- 4.25   0.063% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.13, residual support = 60.9:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  98.986% * 99.7566% (0.52  10.0   3.13  60.89) =  99.999%  kept
          HN    GLN   17 - HD22  ASN   69  13.41 +/- 5.33   0.843% *  0.1078% (0.56   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HD22  ASN   69  23.29 +/- 3.47   0.055% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  20.56 +/- 4.71   0.116% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 2.41, residual support = 47.3:
          QE    PHE   72 - HN    VAL   70   4.60 +/- 0.50  95.736% * 98.2187% (0.45   2.41  47.34) =  99.919%  kept
          HD22  ASN   28 - HN    VAL   70  16.66 +/- 3.19   4.264% *  1.7813% (0.98   0.02   0.02) =   0.081%
    Distance limit 4.50 A violated in 0 structures by 0.25 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.26, residual support = 27.0:
        T HN    ASN   69 - HN    VAL   70   2.41 +/- 0.63  96.392% * 99.8277% (0.76 10.00   4.26  27.00) =  99.998%  kept
          HN    ASN   28 - HN    VAL   70  16.85 +/- 2.50   1.152% *  0.1236% (0.95  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    VAL   70  11.39 +/- 1.29   1.811% *  0.0259% (0.20  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  19.91 +/- 2.82   0.646% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 430 (4.69, 7.99, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.72, residual support = 27.0:
      O   HA    ASN   69 - HN    VAL   70   3.16 +/- 0.49  96.614% * 99.8197% (0.87  10.0   3.72  27.00) =  99.997%  kept
          HA    VAL   43 - HN    VAL   70  11.19 +/- 1.43   2.758% *  0.0743% (0.65   1.0   0.02   0.02) =   0.002%
          HA    HIS   22 - HN    VAL   70  18.25 +/- 2.15   0.628% *  0.1060% (0.93   1.0   0.02   0.02) =   0.001%
    Distance limit 4.33 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 = 81.8:
      O   HA    VAL   70 - HN    VAL   70   2.91 +/- 0.02  76.817% * 99.5350% (0.72  10.0   4.31  81.84) =  99.978%  kept
          HA1   GLY   16 - HN    VAL   70  10.72 +/- 7.01  10.963% *  0.0831% (0.60   1.0   0.02   0.02) =   0.012%
          HB2   SER   37 - HN    VAL   70  11.35 +/- 2.32   3.640% *  0.1265% (0.91   1.0   0.02   0.02) =   0.006%
          HA    VAL   18 - HN    VAL   70  10.20 +/- 5.26   6.698% *  0.0342% (0.25   1.0   0.02   0.02) =   0.003%
          HA    LYS+  33 - HN    VAL   70  15.49 +/- 2.76   0.868% *  0.0564% (0.41   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   70  18.28 +/- 2.80   0.402% *  0.0995% (0.72   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   70  17.42 +/- 2.39   0.452% *  0.0381% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  24.01 +/- 2.85   0.160% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 139.2:
      O   HA    LEU   71 - HN    LEU   71   2.90 +/- 0.04  95.572% * 99.9402% (1.00  10.0   6.63 139.24) =  99.999%  kept
          HA    VAL   43 - HN    LEU   71   9.91 +/- 1.77   3.027% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    LEU   71  13.02 +/- 2.68   1.401% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.35 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 = 5.67, residual support = 34.0:
      O   HA    VAL   70 - HN    LEU   71   2.21 +/- 0.03  83.408% * 94.8198% (1.00  10.0   5.68  34.13) =  99.659%  kept
          HA    VAL   18 - HN    LEU   71   9.18 +/- 5.57   5.570% *  4.7882% (0.69   1.0   1.47   0.02) =   0.336%  kept
          HB2   SER   37 - HN    LEU   71   8.31 +/- 2.35   3.745% *  0.0462% (0.49   1.0   0.02   0.02) =   0.002%
          HA1   GLY   16 - HN    LEU   71  10.03 +/- 7.06   5.677% *  0.0188% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   71  12.26 +/- 2.54   0.809% *  0.0822% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   71  14.53 +/- 1.88   0.348% *  0.0689% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  19.67 +/- 2.44   0.147% *  0.0948% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  22.75 +/- 3.23   0.090% *  0.0575% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  20.25 +/- 3.82   0.205% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 2.13, residual support = 2.74:
          HA    VAL   41 - HN    LEU   71   5.97 +/- 2.13  77.507% * 98.6994% (1.00   2.13   2.75) =  99.800%  kept
          HA    HIS  122 - HN    LEU   71  16.44 +/- 5.29  14.096% *  0.7752% (0.84   0.02   0.02) =   0.143%  kept
          HA    PHE   45 - HN    LEU   71  14.99 +/- 1.35   8.397% *  0.5254% (0.57   0.02   0.02) =   0.058%
    Distance limit 4.07 A violated in 12 structures by 2.03 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.706, support = 2.07, residual support = 1.11:
          HN    VAL   42 - HN    LEU   71   6.36 +/- 1.85  46.732% * 33.4272% (0.61   2.27   1.07) =  47.422%  kept
          HN    ILE   19 - HN    LEU   71   9.41 +/- 4.78  30.886% * 28.4484% (0.98   1.20   0.82) =  26.674%  kept
          HN    LEU   73 - HN    LEU   71   7.41 +/- 0.16  22.382% * 38.1244% (0.61   2.59   1.48) =  25.905%  kept
    Distance limit 4.60 A violated in 0 structures by 0.65 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.449, support = 5.62, residual support = 89.9:
          QD    PHE   72 - HN    PHE   72   2.53 +/- 0.64  94.400% * 96.9558% (0.45   5.62  90.02) =  99.881%  kept
          HD22  ASN   69 - HN    PHE   72   9.17 +/- 1.02   3.959% *  2.5466% (0.73   0.09   0.02) =   0.110%  kept
          QE    PHE   45 - HN    PHE   72  11.39 +/- 2.02   1.642% *  0.4976% (0.65   0.02   0.02) =   0.009%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.03, residual support = 90.0:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.02 100.000% *100.0000% (0.53  10.0   5.03  90.02) = 100.000%  kept
    Distance limit 4.25 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 = 5.44, residual support = 19.1:
      O   HA    LEU   71 - HN    PHE   72   2.31 +/- 0.08  93.746% * 99.9402% (1.00  10.0   5.44  19.08) =  99.998%  kept
          HA    VAL   43 - HN    PHE   72   7.86 +/- 2.18   4.077% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    PHE   72   9.70 +/- 3.08   2.177% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.56 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  14.69 +/- 1.04  20.367% * 29.8815% (0.73   0.02   0.02) =  36.963%  kept
          HA    ASP-  78 - HN    PHE   72  18.48 +/- 0.96  10.096% * 39.7133% (0.97   0.02   0.02) =  24.350%  kept
          HA    PHE   45 - HN    PHE   72  12.51 +/- 1.85  34.192% *  7.2068% (0.18   0.02   0.02) =  14.966%  kept
          HB    THR   23 - HN    PHE   72  14.97 +/- 2.11  21.652% *  9.1616% (0.22   0.02   0.02) =  12.047%  kept
          HA    LEU   80 - HN    PHE   72  17.40 +/- 2.35  13.693% * 14.0368% (0.34   0.02   0.02) =  11.674%  kept
    Distance limit 4.47 A violated in 20 structures by 6.34 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.585, support = 0.843, residual support = 1.43:
          QE    PHE   60 - HN    LEU   73   7.33 +/- 1.72  43.042% * 43.2546% (0.49   1.05   2.12) =  65.329%  kept
          HZ2   TRP   87 - HN    LEU   73  12.22 +/- 3.40  15.501% * 37.8312% (0.99   0.45   0.10) =  20.578%  kept
          HN    LEU   63 - HN    LEU   73   9.87 +/- 1.64  22.378% * 16.7347% (0.41   0.48   0.14) =  13.141%  kept
          HD21  ASN   28 - HN    LEU   73  10.99 +/- 1.20  15.131% *  1.6576% (0.98   0.02   0.85) =   0.880%  kept
          HN    ILE   56 - HN    LEU   73  16.39 +/- 2.29   3.949% *  0.5220% (0.31   0.02   0.02) =   0.072%
    Distance limit 4.59 A violated in 13 structures by 1.98 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.47, residual support = 171.9:
      O   HA    LEU   73 - HN    LEU   73   2.87 +/- 0.08 100.000% *100.0000% (0.95  10.0   6.47 171.94) = 100.000%  kept
    Distance limit 3.89 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 = 5.37, residual support = 43.2:
      O   HA    PHE   72 - HN    LEU   73   2.53 +/- 0.16 100.000% *100.0000% (0.53  10.0   5.37  43.24) = 100.000%  kept
    Distance limit 3.09 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 = 0.634, support = 1.92, residual support = 2.51:
          HA    VAL   43 - HN    LEU   73   5.54 +/- 2.48  43.037% * 36.9264% (0.53   2.01   3.58) =  53.035%  kept
          HA    LEU   71 - HN    LEU   73   6.34 +/- 0.13  22.466% * 55.4742% (0.84   1.90   1.48) =  41.592%  kept
          HA    ALA   20 - HN    LEU   73   7.48 +/- 3.08  25.749% *  6.0375% (0.14   1.28   0.02) =   5.188%  kept
          HA    ASN   69 - HN    LEU   73  11.94 +/- 0.66   3.370% *  1.4238% (0.28   0.15   0.02) =   0.160%  kept
          HA    HIS   22 - HN    LEU   73  10.73 +/- 1.52   5.377% *  0.1382% (0.20   0.02   0.02) =   0.025%
    Distance limit 4.36 A violated in 0 structures by 0.37 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.126, support = 4.11, residual support = 10.1:
        T HN    CYS   21 - HN    LYS+  74   4.75 +/- 4.10  62.844% * 95.8247% (0.12 10.00   4.13  10.13) =  99.373%  kept
        T HN    ILE  119 - HN    LYS+  74  18.19 +/- 2.77   8.682% *  3.0978% (0.40 10.00   0.02   0.02) =   0.444%  kept
          HN    ILE   89 - HN    LYS+  74  16.22 +/- 2.69  17.007% *  0.4381% (0.57  1.00   0.02   0.02) =   0.123%  kept
          HN    SER   37 - HN    LYS+  74  15.99 +/- 1.14   5.716% *  0.5176% (0.67  1.00   0.02   0.02) =   0.049%
          HN    LYS+  38 - HN    LYS+  74  16.22 +/- 1.15   5.751% *  0.1218% (0.16  1.00   0.02   0.02) =   0.012%
    Distance limit 4.23 A violated in 3 structures by 0.75 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.573, support = 4.34, residual support = 19.6:
        T HN    ILE   19 - HN    LYS+  74   6.60 +/- 4.77  36.948% * 73.1514% (0.54 10.00   3.38   8.14) =  66.358%  kept
          HN    LEU   73 - HN    LYS+  74   4.27 +/- 0.36  51.200% * 26.7438% (0.64  1.00   6.23  42.18) =  33.618%  kept
          HN    VAL   42 - HN    LYS+  74   8.43 +/- 2.07  10.883% *  0.0858% (0.64  1.00   0.02   0.02) =   0.023%
          HN    LYS+ 106 - HN    LYS+  74  17.73 +/- 2.50   0.970% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.72, residual support = 42.2:
      O   HA    LEU   73 - HN    LYS+  74   2.63 +/- 0.27 100.000% *100.0000% (0.68  10.0   5.72  42.18) = 100.000%  kept
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.12, residual support = 186.8:
      O   HA    LYS+  74 - HN    LYS+  74   2.87 +/- 0.05  94.847% * 99.4309% (0.20  10.0   6.12 186.80) =  99.994%  kept
          HA    VAL   41 - HN    LYS+  74   9.66 +/- 2.14   3.823% *  0.0708% (0.14   1.0   0.02   0.02) =   0.003%
          HA    MET   92 - HN    LYS+  74  16.45 +/- 2.75   0.640% *  0.3102% (0.61   1.0   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    LYS+  74  18.32 +/- 4.51   0.690% *  0.1882% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 4.13 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 = 6.56:
          HA    ALA   20 - HN    LYS+  74   4.79 +/- 4.55  74.290% * 87.7904% (0.68   3.54   6.87) =  95.408%  kept
          HA    LEU   71 - HN    LYS+  74   8.36 +/- 1.14  25.710% * 12.2096% (0.37   0.90   0.19) =   4.592%  kept
    Distance limit 3.77 A violated in 2 structures by 0.34 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.24, residual support = 31.9:
      O   HA    LYS+  74 - HN    VAL   75   2.22 +/- 0.04  99.132% * 99.7992% (0.61  10.0   6.24  31.94) =  99.999%  kept
          HA    MET   92 - HN    VAL   75  13.75 +/- 3.60   0.580% *  0.1642% (1.00   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    VAL   75  17.91 +/- 3.65   0.288% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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   2.91 +/- 0.01  99.005% * 99.5538% (0.22  10.0   3.72  35.71) =  99.995%  kept
          HA    LEU   67 - HN    ASP-  76  15.19 +/- 2.07   0.995% *  0.4462% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.01 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  96.761% * 99.5919% (0.65  10.0   3.97  19.65) =  99.998%  kept
          HA    ALA   91 - HN    VAL  108  12.06 +/- 2.59   0.809% *  0.1233% (0.80   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HN    VAL  108   8.64 +/- 1.27   2.010% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  108  15.97 +/- 2.43   0.320% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  22.11 +/- 1.63   0.100% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 5.56, residual support = 28.3:
        T HN    ASP-  78 - HN    THR   77   2.65 +/- 0.16  92.435% * 96.7483% (0.98 10.00   5.57  28.32) =  99.747%  kept
          HN    VAL   75 - HN    THR   77   6.36 +/- 0.44   7.008% *  3.2344% (0.61  1.00   1.08   0.72) =   0.253%  kept
          HN    LYS+ 112 - HN    THR   77  17.78 +/- 4.02   0.556% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 5.57, residual support = 28.3:
        T HN    THR   77 - HN    ASP-  78   2.65 +/- 0.16 100.000% *100.0000% (1.00 10.00   5.57  28.32) = 100.000%  kept
    Distance limit 3.77 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 = 3.9, residual support = 20.6:
        T HN    GLU-  79 - HN    ASP-  78   2.45 +/- 0.12  97.976% * 99.9158% (0.99 10.00   3.90  20.59) =  99.998%  kept
          HN    THR   94 - HN    ASP-  78  11.09 +/- 3.11   2.024% *  0.0842% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 3.00 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 = 3.9, residual support = 20.6:
        T HN    ASP-  78 - HN    GLU-  79   2.45 +/- 0.12  97.526% * 99.3701% (0.56 10.00   3.90  20.59) =  99.984%  kept
          HN    VAL   75 - HN    GLU-  79   8.40 +/- 0.47   2.474% *  0.6299% (0.56  1.00   0.13   0.02) =   0.016%
    Distance limit 3.06 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 = 4.44, residual support = 56.3:
      O   HA    GLU-  79 - HN    GLU-  79   2.70 +/- 0.16  85.388% * 94.5666% (0.60  10.0   4.46  56.65) =  99.419%  kept
          HB    THR   77 - HN    GLU-  79   5.74 +/- 0.38   9.459% *  4.9478% (0.37   1.0   1.71   0.02) =   0.576%  kept
          HA1   GLY   51 - HN    GLU-  79  17.29 +/- 5.04   1.254% *  0.0935% (0.60   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    GLU-  79  11.52 +/- 1.33   1.245% *  0.0502% (0.32   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    GLU-  79  16.68 +/- 4.60   0.837% *  0.0729% (0.47   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  12.45 +/- 0.88   0.932% *  0.0579% (0.37   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    GLU-  79  18.44 +/- 4.00   0.512% *  0.0693% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  21.85 +/- 2.69   0.208% *  0.0954% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  28.69 +/- 5.57   0.165% *  0.0464% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0824, support = 3.84, residual support = 20.6:
      O   HA    ASP-  78 - HN    GLU-  79   3.57 +/- 0.10  81.292% * 98.7485% (0.08  10.0   3.84  20.59) =  99.898%  kept
          HA    PHE   45 - HN    GLU-  79   8.84 +/- 3.02   8.917% *  0.7232% (0.60   1.0   0.02   0.02) =   0.080%
          HA    HIS  122 - HN    GLU-  79  23.38 +/- 5.21   8.546% *  0.1444% (0.12   1.0   0.02   0.02) =   0.015%
          HA    VAL   41 - HN    GLU-  79  16.36 +/- 2.00   1.245% *  0.3839% (0.32   1.0   0.02   0.02) =   0.006%
    Distance limit 4.72 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   2.30 +/- 0.05  99.651% * 99.8354% (0.53  10.0   4.53  10.96) =  99.999%  kept
          HA    LEU   67 - HN    THR   77  16.08 +/- 1.84   0.349% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.02 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 = 0.599, support = 0.41, residual support = 0.301:
          HA    ALA   47 - HN    THR   77   9.13 +/- 5.04  36.784% * 65.3910% (0.57   0.46   0.34) =  87.159%  kept
          HA    TRP   49 - HN    THR   77  13.28 +/- 3.63   9.771% * 17.5611% (0.87   0.08   0.02) =   6.218%  kept
          HA    CYS   50 - HN    THR   77  12.73 +/- 5.21  13.505% *  4.8838% (0.98   0.02   0.02) =   2.390%  kept
          HA    CYS   21 - HN    THR   77  13.09 +/- 2.32  16.834% *  3.4225% (0.69   0.02   0.02) =   2.088%  kept
          HA1   GLY  109 - HN    THR   77  18.23 +/- 2.65   5.040% *  4.8084% (0.97   0.02   0.02) =   0.878%  kept
          HA    VAL  108 - HN    THR   77  15.28 +/- 2.44   7.978% *  2.2338% (0.45   0.02   0.02) =   0.646%  kept
          HA    LYS+ 102 - HN    THR   77  19.72 +/- 4.33  10.088% *  1.6995% (0.34   0.02   0.02) =   0.621%  kept
    Distance limit 4.47 A violated in 13 structures by 3.09 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.288, support = 0.877, residual support = 9.99:
          HA    THR   46 - HN    THR   77   8.52 +/- 4.79  37.829% * 76.7392% (0.25   0.95  10.89) =  91.773%  kept
          HA    VAL   42 - HN    THR   77  13.00 +/- 2.27  16.212% *  5.5966% (0.87   0.02   0.02) =   2.868%  kept
          HA    GLN   90 - HN    THR   77  11.61 +/- 4.91  20.064% *  4.4319% (0.69   0.02   0.02) =   2.811%  kept
          HA    PHE   55 - HN    THR   77  16.98 +/- 3.72   6.176% *  5.5966% (0.87   0.02   0.02) =   1.093%  kept
          HA    GLN   17 - HN    THR   77  17.29 +/- 4.75  10.671% *  1.9914% (0.31   0.02   0.02) =   0.672%  kept
          HA    ALA  110 - HN    THR   77  17.67 +/- 3.73   4.060% *  3.6528% (0.57   0.02   0.02) =   0.469%  kept
          HA    SER   37 - HN    THR   77  24.36 +/- 3.60   4.987% *  1.9914% (0.31   0.02   0.02) =   0.314%  kept
    Distance limit 4.37 A violated in 11 structures by 2.30 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   3.30 +/- 0.39  75.697% * 97.1842% (0.76  10.0   4.03  37.46) =  99.715%  kept
          HA    GLU-  79 - HN    THR   77   6.70 +/- 0.44   9.844% *  2.0281% (0.28   1.0   1.15   0.02) =   0.271%  kept
          HA    ASP-  44 - HN    THR   77   9.21 +/- 2.58   4.998% *  0.1062% (0.84   1.0   0.02   0.02) =   0.007%
          HA    SER   85 - HN    THR   77  13.14 +/- 2.07   1.550% *  0.0972% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    THR   77  14.42 +/- 1.68   1.046% *  0.1018% (0.80   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    THR   77  17.20 +/- 3.55   0.978% *  0.0823% (0.65   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    THR   77  15.20 +/- 4.68   3.887% *  0.0196% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    THR   77  21.31 +/- 3.99   0.408% *  0.0923% (0.73   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    THR   77  28.32 +/- 5.61   0.265% *  0.1103% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  19.81 +/- 3.57   0.557% *  0.0434% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  26.43 +/- 4.76   0.219% *  0.1062% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  20.36 +/- 2.99   0.551% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 5.41, residual support = 40.2:
        T HN    LEU   80 - HN    LYS+  81   3.54 +/- 0.44  83.157% * 94.5584% (0.65 10.00   5.44  40.48) =  99.230%  kept
          HN    SER   85 - HN    LYS+  81   6.64 +/- 0.31  14.515% *  4.1423% (0.45  1.00   1.26   0.02) =   0.759%  kept
        T HN    ALA   34 - HN    LYS+  81  22.15 +/- 5.14   0.638% *  1.1171% (0.76 10.00   0.02   0.02) =   0.009%
          HN    GLN   32 - HN    LYS+  81  21.25 +/- 6.08   0.626% *  0.1221% (0.84  1.00   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  81  18.42 +/- 3.97   1.064% *  0.0601% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 13.3:
        T HN    SER   82 - HN    LYS+  81   2.59 +/- 0.12  97.881% * 99.8569% (1.00 10.00   4.36  13.26) =  99.999%  kept
          HN    GLN   90 - HN    LYS+  81  11.77 +/- 2.10   1.368% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    LYS+  81  24.65 +/- 5.71   0.209% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  20.15 +/- 4.00   0.409% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  24.64 +/- 2.45   0.134% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (4.82, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.691, support = 5.77, residual support = 39.8:
      O   HA    LEU   80 - HN    LYS+  81   2.58 +/- 0.43  81.837% * 88.8950% (0.69  10.0   5.84  40.48) =  98.303%  kept
          HA    ASP-  78 - HN    LYS+  81   5.81 +/- 1.24  13.167% *  9.1815% (0.95   1.0   1.50   0.52) =   1.634%  kept
          HA    THR   23 - HN    LYS+  81  14.83 +/- 7.20   2.507% *  1.8194% (0.98   1.0   0.29   0.02) =   0.062%
          HB    THR   23 - HN    LYS+  81  16.01 +/- 7.29   2.100% *  0.0681% (0.53   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HN    LYS+  81  21.14 +/- 3.70   0.389% *  0.0360% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.38, residual support = 105.0:
      O   HA    LYS+  81 - HN    LYS+  81   2.80 +/- 0.05  97.579% * 99.7055% (0.99  10.0   5.38 104.99) =  99.999%  kept
          HA    ARG+  54 - HN    LYS+  81  20.48 +/- 3.97   0.606% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  31.32 +/- 5.38   0.425% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  17.81 +/- 6.41   0.970% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  28.26 +/- 4.95   0.167% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  21.46 +/- 2.23   0.253% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.89, residual support = 33.2:
      O   HA    SER   82 - HN    SER   82   2.76 +/- 0.04  96.781% * 98.7108% (0.25  10.0   3.89  33.24) =  99.990%  kept
          HA    GLU-  25 - HN    SER   82  17.58 +/- 8.22   1.716% *  0.3170% (0.80   1.0   0.02   0.02) =   0.006%
          HA    ILE   19 - HN    SER   82  19.98 +/- 4.94   0.385% *  0.3820% (0.97   1.0   0.02   0.02) =   0.002%
          HA    CYS   53 - HN    SER   82  20.26 +/- 2.90   0.316% *  0.3880% (0.98   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    SER   82  19.37 +/- 6.96   0.646% *  0.1486% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    SER   82  24.84 +/- 2.57   0.155% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.321, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    SER   82  20.85 +/- 3.64  39.662% * 67.5049% (0.41   0.02   0.02) =  57.726%  kept
          HB    THR   23 - HN    SER   82  16.59 +/- 7.65  60.338% * 32.4951% (0.20   0.02   0.02) =  42.274%  kept
    Distance limit 4.35 A violated in 20 structures by 9.60 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 19.1:
        T HN    VAL   83 - HN    SER   82   2.71 +/- 0.10  99.153% * 99.9274% (1.00 10.00   5.62  19.05) =  99.999%  kept
          HN    CYS   50 - HN    SER   82  17.89 +/- 4.53   0.847% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.50 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 = 4.36, residual support = 13.3:
          HN    LYS+  81 - HN    SER   82   2.59 +/- 0.12  98.110% * 99.3112% (1.00   4.36  13.26) =  99.997%  kept
          QD    PHE   60 - HN    SER   82  17.34 +/- 3.20   0.453% *  0.3660% (0.80   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    SER   82  15.86 +/- 5.73   0.953% *  0.1018% (0.22   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    SER   82  21.89 +/- 2.71   0.214% *  0.1411% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  21.23 +/- 3.29   0.271% *  0.0800% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.53, residual support = 40.2:
        T HN    ALA   84 - HN    VAL   83   2.60 +/- 0.09  98.899% * 99.6823% (0.75 10.00   7.53  40.18) =  99.999%  kept
          HE21  GLN   32 - HN    VAL   83  22.35 +/- 7.26   0.338% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  20.89 +/- 2.55   0.212% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.01 +/- 2.71   0.260% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  19.20 +/- 2.10   0.290% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 19.1:
        T HN    SER   82 - HN    VAL   83   2.71 +/- 0.10  96.835% * 99.8569% (0.75 10.00   5.62  19.05) =  99.999%  kept
          HN    GLN   90 - HN    VAL   83  10.85 +/- 1.21   1.694% *  0.0375% (0.28  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    VAL   83  23.72 +/- 6.15   0.475% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  17.23 +/- 3.38   0.795% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  23.73 +/- 2.47   0.202% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.82 +/- 0.09  97.326% * 99.8725% (0.99 10.00   3.77  20.66) =  99.999%  kept
          HN    THR   94 - HN    ALA   84  10.90 +/- 1.51   1.894% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  20.13 +/- 5.45   0.456% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  20.88 +/- 4.16   0.324% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.53, residual support = 40.2:
        T HN    VAL   83 - HN    ALA   84   2.60 +/- 0.09  99.092% * 99.9274% (1.00 10.00   7.53  40.18) =  99.999%  kept
          HN    CYS   50 - HN    ALA   84  16.23 +/- 4.01   0.908% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.25, residual support = 5.53:
          HA    LYS+  81 - HN    ALA   84   3.21 +/- 0.21  95.342% * 95.6790% (0.80   2.25   5.53) =  99.973%  kept
          HA    ASN   28 - HN    ALA   84  16.90 +/- 6.12   1.530% *  0.5169% (0.49   0.02   0.02) =   0.009%
          HA    ARG+  54 - HN    ALA   84  20.01 +/- 3.44   0.687% *  1.0249% (0.97   0.02   0.02) =   0.008%
          HA    ALA  124 - HN    ALA   84  29.50 +/- 4.26   0.247% *  1.0597% (1.00   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    ALA   84  18.90 +/- 2.15   0.542% *  0.4761% (0.45   0.02   0.02) =   0.003%
          HA1   GLY  101 - HN    ALA   84  18.39 +/- 3.00   1.007% *  0.1860% (0.18   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   84  26.84 +/- 3.84   0.207% *  0.7295% (0.69   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    ALA   84  21.55 +/- 3.43   0.439% *  0.3278% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.17 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 = 0.487, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    VAL   83  19.45 +/- 2.63  15.265% * 27.0775% (0.70   0.02   0.02) =  25.406%  kept
          HA    GLU-  25 - HN    VAL   83  16.64 +/- 7.82  27.496% * 13.1508% (0.34   0.02   0.02) =  22.226%  kept
          HA    ILE   19 - HN    VAL   83  18.76 +/- 4.82  15.313% * 20.1488% (0.52   0.02   0.02) =  18.965%  kept
          HA    THR   26 - HN    VAL   83  18.26 +/- 6.67  14.124% * 21.2999% (0.55   0.02   0.02) =  18.492%  kept
          HA1   GLY  101 - HN    VAL   83  18.36 +/- 3.18  17.186% *  7.3142% (0.19   0.02   0.02) =   7.726%  kept
          HA    GLU- 114 - HN    VAL   83  23.44 +/- 2.43  10.617% * 11.0089% (0.28   0.02   0.02) =   7.185%  kept
    Distance limit 4.34 A violated in 20 structures by 7.33 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.573, support = 2.57, residual support = 5.08:
        T HN    SER   85 - HN    VAL   83   4.32 +/- 0.11  59.145% * 97.9507% (0.58 10.00   2.59   5.13) =  98.941%  kept
          HN    LEU   80 - HN    VAL   83   5.11 +/- 0.76  37.529% *  1.6395% (0.26  1.00   0.75   0.14) =   1.051%  kept
        T HN    CYS   53 - HN    VAL   83  19.38 +/- 2.87   0.949% *  0.2245% (0.13 10.00   0.02   0.02) =   0.004%
          HN    GLN   32 - HN    VAL   83  19.23 +/- 6.46   1.444% *  0.1279% (0.75  1.00   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   83  20.22 +/- 5.13   0.934% *  0.0575% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.43 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 = 4.16, residual support = 10.4:
          HN    SER   82 - HN    ALA   84   3.92 +/- 0.12  86.712% * 99.2188% (0.87   4.17  10.37) =  99.947%  kept
          HN    GLN   90 - HN    ALA   84   8.45 +/- 1.56  10.419% *  0.3771% (0.69   0.02   0.02) =   0.046%
          HN    ILE  103 - HN    ALA   84  16.63 +/- 3.11   1.915% *  0.2672% (0.49   0.02   0.02) =   0.006%
          HN    GLY   16 - HN    ALA   84  24.20 +/- 5.36   0.954% *  0.1369% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.56 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 = 13.5:
          HN    ASP-  86 - HN    SER   85   2.45 +/- 0.08  98.665% * 97.4523% (0.80   3.33  13.45) =  99.993%  kept
          HN    LYS+  99 - HN    SER   85  18.18 +/- 2.83   0.392% *  0.4732% (0.65   0.02   0.02) =   0.002%
          HN    GLN   30 - HN    SER   85  20.38 +/- 5.23   0.270% *  0.6344% (0.87   0.02   0.02) =   0.002%
          HE1   HIS  122 - HN    SER   85  22.41 +/- 4.98   0.284% *  0.5311% (0.73   0.02   0.02) =   0.002%
          HN    GLU-  29 - HN    SER   85  20.68 +/- 6.03   0.298% *  0.2745% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    SER   85  28.85 +/- 4.55   0.092% *  0.6344% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.82 +/- 0.09  94.049% * 97.8180% (0.90   3.77  20.66) =  99.987%  kept
          HZ2   TRP   87 - HN    SER   85   9.05 +/- 0.82   3.241% *  0.1013% (0.18   0.02   0.02) =   0.004%
          HD21  ASN   28 - HN    SER   85  16.83 +/- 7.44   1.589% *  0.1786% (0.31   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HN    SER   85  19.23 +/- 2.71   0.348% *  0.5190% (0.90   0.02   0.02) =   0.002%
          HN    ILE   56 - HN    SER   85  21.03 +/- 2.31   0.260% *  0.5672% (0.98   0.02   0.02) =   0.002%
          HN    LEU   63 - HN    SER   85  20.38 +/- 1.31   0.268% *  0.5342% (0.92   0.02   0.02) =   0.002%
          HE21  GLN   32 - HN    SER   85  24.64 +/- 6.56   0.245% *  0.2817% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.41 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   4.32 +/- 0.11  96.889% * 99.9526% (0.87 10.00   2.59   5.13) =  99.998%  kept
          HN    CYS   50 - HN    SER   85  17.59 +/- 3.98   3.111% *  0.0474% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 4.21 A violated in 0 structures by 0.12 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 +/- 0.02  78.219% * 92.5604% (0.99  10.0   3.65  18.03) =  98.627%  kept
          HA    ASP-  86 - HN    SER   85   4.93 +/- 0.08  14.681% *  6.8311% (0.45   1.0   3.26  13.45) =   1.366%  kept
          HB    THR   77 - HN    SER   85  10.45 +/- 2.80   2.820% *  0.0926% (0.99   1.0   0.02   0.02) =   0.004%
          HA    GLU-  79 - HN    SER   85  10.13 +/- 0.90   1.991% *  0.0566% (0.61   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    SER   85  13.44 +/- 1.32   0.794% *  0.0934% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    SER   85  16.41 +/- 2.55   0.608% *  0.0883% (0.95   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    SER   85  20.44 +/- 3.59   0.270% *  0.0384% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  23.88 +/- 2.39   0.144% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  34.69 +/- 5.62   0.057% *  0.0932% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  27.98 +/- 4.09   0.116% *  0.0350% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  21.18 +/- 2.94   0.240% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  33.00 +/- 4.55   0.062% *  0.0455% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.575, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  21.36 +/- 5.78   8.306% * 23.1039% (0.98   0.02   0.02) =  18.578%  kept
          HA    CYS   53 - HN    SER   85  19.28 +/- 2.71  12.946% * 14.2963% (0.61   0.02   0.02) =  17.916%  kept
          HA1   GLY  101 - HN    SER   85  18.88 +/- 3.26  13.179% * 13.3446% (0.57   0.02   0.02) =  17.025%  kept
          HA    GLU- 114 - HN    SER   85  22.17 +/- 2.58   8.259% * 17.1158% (0.73   0.02   0.02) =  13.685%  kept
          HA    ASN   28 - HN    SER   85  18.52 +/- 6.40  15.749% *  5.2476% (0.22   0.02   0.02) =   8.000%  kept
          HA    ILE   19 - HN    SER   85  21.65 +/- 3.98   8.996% *  8.0401% (0.34   0.02   0.02) =   7.002%  kept
          HA    LEU  115 - HN    SER   85  19.78 +/- 2.48  11.593% *  5.8774% (0.25   0.02   0.02) =   6.596%  kept
          HA    GLU-  25 - HN    SER   85  19.68 +/- 7.26  14.809% *  4.1279% (0.18   0.02   0.02) =   5.918%  kept
          HA    ALA   34 - HN    SER   85  23.14 +/- 3.41   6.164% *  8.8463% (0.38   0.02   0.02) =   5.279%  kept
    Distance limit 3.90 A violated in 20 structures by 8.32 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 = 13.5:
        T HN    SER   85 - HN    ASP-  86   2.45 +/- 0.08  98.668% * 99.7141% (0.99 10.00   3.33  13.45) =  99.999%  kept
        T HN    ALA   34 - HN    ASP-  86  21.23 +/- 4.44   0.210% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  20.37 +/- 5.97   0.314% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  12.38 +/- 0.81   0.808% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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   2.71 +/- 0.07  94.941% * 74.1235% (0.95   3.71  22.69) =  98.406%  kept
          HE3   TRP   87 - HN    ASP-  86   7.50 +/- 0.31   4.539% * 25.0652% (0.31   3.85  22.69) =   1.591%  kept
          HN    GLN   17 - HN    ASP-  86  24.61 +/- 5.25   0.363% *  0.4214% (1.00   0.02   0.02) =   0.002%
          HD21  ASN   69 - HN    ASP-  86  24.37 +/- 3.29   0.157% *  0.3898% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.69 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 = 40.2:
      O   HA    ASP-  86 - HN    ASP-  86   2.73 +/- 0.02  60.889% * 79.7149% (0.87  10.0   4.16  42.54) =  91.537%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.02  28.128% * 14.1794% (0.15  10.0   3.26  13.45) =   7.522%  kept
          HA    TRP   87 - HN    ASP-  86   5.25 +/- 0.06   8.588% *  5.8026% (0.28   1.0   4.54  22.69) =   0.940%  kept
          HA    LEU  104 - HN    ASP-  86  18.11 +/- 2.91   0.329% *  0.0887% (0.97   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ASP-  86  11.58 +/- 2.54   1.270% *  0.0142% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.17 +/- 1.26   0.591% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  27.29 +/- 4.51   0.110% *  0.0848% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  32.32 +/- 4.92   0.050% *  0.0768% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  34.03 +/- 5.98   0.044% *  0.0205% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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   2.71 +/- 0.07  97.802% * 98.4399% (1.00   3.71  22.69) =  99.993%  kept
          HN    GLN   30 - HN    TRP   87  19.25 +/- 4.69   0.430% *  0.5305% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  29 - HN    TRP   87  19.83 +/- 5.41   0.437% *  0.3861% (0.73   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    TRP   87  15.13 +/- 1.84   0.656% *  0.1641% (0.31   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    TRP   87  19.95 +/- 5.15   0.497% *  0.1996% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    TRP   87  27.64 +/- 4.75   0.177% *  0.2798% (0.53   0.02   0.02) =   0.001%
    Distance limit 3.49 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 +/- 0.03  64.324% * 78.1363% (0.90  10.0   4.03  70.64) =  86.981%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.60 +/- 0.04  34.625% * 21.7248% (0.25  10.0   3.39  22.69) =  13.018%  kept
          HA    LEU  104 - HN    TRP   87  16.13 +/- 2.52   0.552% *  0.0598% (0.69   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    TRP   87  19.26 +/- 2.40   0.265% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  26.78 +/- 4.36   0.165% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  32.00 +/- 4.87   0.070% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.295, support = 1.88, residual support = 70.5:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  87.188% * 69.3394% (0.28  10.0   1.87  70.64) =  96.254%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   9.721% * 23.1960% (0.73   1.0   2.39  70.64) =   3.590%  kept
          HN    TRP   27 - HE1   TRP   87  14.72 +/- 5.59   1.369% *  6.8593% (0.90   1.0   0.57   5.59) =   0.150%  kept
          HN    ALA   91 - HE1   TRP   87  11.62 +/- 0.72   1.064% *  0.2649% (0.99   1.0   0.02   0.02) =   0.004%
          HN    ALA   61 - HE1   TRP   87  17.00 +/- 1.75   0.365% *  0.2579% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HE1   TRP   87  19.01 +/- 3.24   0.292% *  0.0825% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 1.97, residual support = 5.49:
          HZ2   TRP   27 - HE1   TRP   87  10.42 +/- 6.97  61.444% * 97.1512% (0.80   2.00   5.59) =  98.193%  kept
          HZ    PHE   72 - HE1   TRP   87  14.15 +/- 2.07  38.556% *  2.8488% (0.20   0.24   0.02) =   1.807%  kept
    Distance limit 4.27 A violated in 11 structures by 4.78 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.32, support = 2.81, residual support = 4.6:
      O   HA    TRP   87 - HN    ALA   88   3.29 +/- 0.09  30.547% * 88.7123% (0.28  10.0   2.97   4.96) =  92.835%  kept
          HA    ASP-  86 - HN    ALA   88   3.97 +/- 0.33  20.284% * 10.1861% (0.87   1.0   0.74   0.02) =   7.078%  kept
          HA    SER   85 - HN    ALA   88   2.90 +/- 0.38  46.943% *  0.0492% (0.15   1.0   0.02   0.02) =   0.079%
          HA    LEU  104 - HN    ALA   88  16.95 +/- 2.43   0.300% *  0.3079% (0.97   1.0   0.02   0.02) =   0.003%
          HB    THR   77 - HN    ALA   88  12.35 +/- 3.64   1.183% *  0.0492% (0.15   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   88  12.69 +/- 1.40   0.590% *  0.0631% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ALA   88  28.45 +/- 4.26   0.080% *  0.2945% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ALA   88  33.63 +/- 4.76   0.038% *  0.2665% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  35.43 +/- 5.72   0.034% *  0.0710% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.601, support = 0.845, residual support = 17.7:
          HA    TRP   87 - HN    ILE   89   4.26 +/- 0.39  73.859% * 76.9246% (0.61   0.89  18.93) =  93.593%  kept
          HA    ASP-  86 - HN    ILE   89   6.45 +/- 0.49  22.810% * 16.8047% (0.53   0.22   0.02) =   6.314%  kept
          HA    LEU  104 - HN    ILE   89  16.20 +/- 2.04   1.503% *  2.7042% (0.95   0.02   0.02) =   0.067%
          HA    GLU-  14 - HN    ILE   89  27.71 +/- 3.79   0.445% *  1.7339% (0.61   0.02   0.02) =   0.013%
          HA    PHE   59 - HN    ILE   89  18.08 +/- 2.50   1.164% *  0.4411% (0.15   0.02   0.02) =   0.008%
          HA    ALA   12 - HN    ILE   89  33.00 +/- 4.36   0.218% *  1.3915% (0.49   0.02   0.02) =   0.005%
    Distance limit 4.36 A violated in 0 structures by 0.06 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.3:
          HN    ALA   91 - HN    GLN   90   2.23 +/- 0.51  97.681% * 99.1369% (0.92   6.75  32.35) =  99.993%  kept
          HE3   TRP   87 - HN    GLN   90  10.06 +/- 0.69   1.681% *  0.3072% (0.97   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    GLN   90  17.08 +/- 1.77   0.336% *  0.3072% (0.97   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    GLN   90  20.95 +/- 3.68   0.186% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  25.45 +/- 4.08   0.116% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.392, support = 5.3, residual support = 83.8:
      O   HA    GLN   90 - HN    GLN   90   2.71 +/- 0.20  77.327% * 68.5436% (0.34  10.0   5.49  89.29) =  90.323%  kept
          HA    ALA   91 - HN    GLN   90   4.56 +/- 0.43  18.299% * 31.0026% (0.87   1.0   3.56  32.35) =   9.668%  kept
          HA    VAL  107 - HN    GLN   90  11.42 +/- 2.19   1.699% *  0.1939% (0.97   1.0   0.02   0.02) =   0.006%
          HA    ALA  110 - HN    GLN   90  11.60 +/- 3.16   2.109% *  0.0901% (0.45   1.0   0.02   0.02) =   0.003%
          HA    TRP   27 - HN    GLN   90  20.27 +/- 3.25   0.228% *  0.1300% (0.65   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    GLN   90  18.12 +/- 2.99   0.338% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 89.3:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00  99.942% * 99.0596% (0.92  10.0 10.00   1.00  89.29) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  29.47 +/- 5.37   0.029% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  29.77 +/- 4.98   0.029% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 89.3:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  97.457% * 99.4024% (0.76  10.0   1.00  89.29) =  99.999%  kept
          HD21  ASN   35 - HE22  GLN   32   8.02 +/- 1.35   1.470% *  0.0646% (0.25   1.0   0.02   3.52) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  16.21 +/- 4.89   0.457% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  29.96 +/- 4.95   0.028% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  29.76 +/- 6.19   0.233% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  21.82 +/- 2.57   0.058% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  17.38 +/- 2.62   0.126% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  25.71 +/- 4.24   0.038% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  24.41 +/- 3.98   0.050% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  29.47 +/- 5.37   0.028% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  28.38 +/- 4.08   0.031% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  32.21 +/- 5.11   0.023% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.3:
        T HN    GLN   90 - HN    ALA   91   2.23 +/- 0.51  89.526% * 99.6698% (0.95 10.00   6.75  32.35) =  99.994%  kept
          HN    GLY  109 - HN    ALA   91   8.13 +/- 4.12   7.372% *  0.0554% (0.53  1.00   0.02   0.02) =   0.005%
          HN    ILE  103 - HN    ALA   91  18.20 +/- 1.97   0.271% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  20.95 +/- 3.68   0.171% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.93 +/- 1.74   0.698% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  19.80 +/- 5.30   1.191% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  16.47 +/- 6.92   0.672% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  24.06 +/- 2.01   0.099% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.474, support = 0.02, residual support = 6.5:
          HA    LEU   73 - HN    ALA   91  18.73 +/- 2.44  22.004% * 89.0027% (0.65   0.02   0.02) =  69.543%  kept
          HA    LEU   73 - HN    TRP   27   9.00 +/- 2.24  77.996% * 10.9973% (0.08   0.02  21.30) =  30.457%  kept
    Distance limit 4.46 A violated in 20 structures by 4.28 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.889, support = 2.76, residual support = 23.7:
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.03  42.600% * 89.2967% (1.00  10.0   2.45  12.83) =  87.675%  kept
      O   HA    TRP   27 - HN    TRP   27   2.74 +/- 0.02  51.104% * 10.4606% (0.12  10.0   4.96 100.96) =  12.321%  kept
          HA    VAL  107 - HN    ALA   91  11.52 +/- 2.29   1.019% *  0.0847% (0.95   1.0   0.02   0.02) =   0.002%
          HA    ALA  110 - HN    ALA   91  10.56 +/- 3.55   4.207% *  0.0157% (0.18   1.0   0.02   0.02) =   0.002%
          HA    PRO   52 - HN    ALA   91  14.75 +/- 3.55   0.524% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  21.29 +/- 2.78   0.127% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  22.94 +/- 3.13   0.103% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.45 +/- 1.79   0.099% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  23.96 +/- 4.43   0.146% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  25.66 +/- 3.18   0.071% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.44 +/- 0.20  97.372% * 99.1845% (0.25  10.0   4.21  61.29) =  99.996%  kept
          HA    PHE   45 - HN    MET   92   9.32 +/- 1.23   2.268% *  0.0992% (0.25   1.0   0.02   0.02) =   0.002%
          HA    VAL   41 - HN    MET   92  19.89 +/- 2.26   0.233% *  0.3185% (0.80   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    MET   92  23.14 +/- 1.73   0.127% *  0.3978% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.0, residual support = 9.27:
      O   HA    ALA   91 - HN    MET   92   2.30 +/- 0.11  93.083% * 99.6892% (0.80  10.0   3.00   9.27) =  99.996%  kept
          HA    PRO   52 - HN    MET   92  11.95 +/- 4.60   2.130% *  0.0855% (0.69   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HN    MET   92  10.57 +/- 3.36   4.073% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    MET   92  13.01 +/- 1.62   0.590% *  0.0805% (0.65   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    MET   92  22.01 +/- 2.48   0.124% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.42, residual support = 27.1:
        T HN    PHE   45 - HN    THR   94   3.24 +/- 1.05  89.878% * 97.7264% (0.95 10.00   3.43  27.12) =  99.739%  kept
          HN    ALA  110 - HN    THR   94   9.53 +/- 2.82  10.122% *  2.2736% (1.00  1.00   0.44   0.02) =   0.261%  kept
    Distance limit 4.28 A violated in 1 structures by 0.14 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 +/- 0.33 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.39 A violated in 20 structures by 4.62 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.07, residual support = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.22 +/- 0.12  97.586% * 99.9112% (0.22  10.0   4.07  15.58) =  99.998%  kept
          HA    ASP-  76 - HN    THR   94   9.81 +/- 3.15   2.414% *  0.0888% (0.20   1.0   0.02   0.02) =   0.002%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.944, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.06 +/- 0.36  78.682% * 54.6147% (1.00   0.02   0.02) =  87.335%  kept
          HA    LYS+  74 - HN    THR   94  11.22 +/- 2.63  17.293% * 33.1992% (0.61   0.02   0.02) =  11.668%  kept
          HA    HIS  122 - HN    THR   94  17.53 +/- 2.58   4.025% * 12.1862% (0.22   0.02   0.02) =   0.997%  kept
    Distance limit 3.80 A violated in 20 structures by 2.21 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 = 46.0:
          HN    VAL  107 - HN    PHE   95   3.48 +/- 0.58  97.125% * 99.1022% (0.97   2.11  46.01) =  99.973%  kept
          HN    GLY   51 - HN    PHE   95  14.08 +/- 1.98   2.875% *  0.8978% (0.92   0.02   0.02) =   0.027%
    Distance limit 4.00 A violated in 0 structures by 0.07 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.85, residual support = 73.4:
          QD    PHE   95 - HN    PHE   95   3.19 +/- 0.52  89.247% * 99.3364% (0.87   3.85  73.43) =  99.957%  kept
          HN    ALA   47 - HN    PHE   95  10.01 +/- 1.81   5.963% *  0.5154% (0.87   0.02   0.24) =   0.035%
          QE    PHE   72 - HN    PHE   95  10.33 +/- 1.95   4.791% *  0.1482% (0.25   0.02   0.02) =   0.008%
    Distance limit 3.88 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 +/- 0.02 100.000% *100.0000% (1.00  10.0   4.32  73.43) = 100.000%  kept
    Distance limit 4.33 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 = 14.5:
      O   HA    THR   94 - HN    PHE   95   2.26 +/- 0.14  97.802% * 99.8515% (0.65  10.0   3.16  14.54) =  99.999%  kept
          HA    LYS+  74 - HN    PHE   95  12.63 +/- 1.79   0.717% *  0.1180% (0.76   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    PHE   95   9.22 +/- 0.29   1.480% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.99, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.21 +/- 0.03 100.000% *100.0000% (0.95  10.0   3.99  11.96) = 100.000%  kept
    Distance limit 3.15 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  97.030% * 99.9800% (0.94  10.0   4.09 115.43) =  99.999%  kept
          HA    PHE   72 - HN    MET   96  10.81 +/- 2.40   2.970% *  0.0200% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.95 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 = 4.86, residual support = 58.7:
        T HN    ASP- 105 - HN    PHE   97   3.72 +/- 0.85  92.456% * 99.9802% (1.00 10.00   4.86  58.74) =  99.998%  kept
          HN    ALA   88 - HN    PHE   97  12.18 +/- 1.74   7.544% *  0.0198% (0.20  1.00   0.02   0.02) =   0.002%
    Distance limit 4.29 A violated in 2 structures by 0.17 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.8, support = 4.07, residual support = 62.2:
          QD    PHE   97 - HN    PHE   97   2.69 +/- 0.80  86.383% * 98.9871% (0.80   4.07  62.27) =  99.917%  kept
          HZ3   TRP   87 - HN    PHE   97   8.30 +/- 2.76  12.520% *  0.5267% (0.87   0.02   0.02) =   0.077%
          HE3   TRP   49 - HN    PHE   97  19.53 +/- 4.83   1.097% *  0.4862% (0.80   0.02   0.02) =   0.006%
    Distance limit 3.57 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 = 3.15, residual support = 11.9:
          HA    LYS+ 106 - HN    PHE   97   3.54 +/- 0.55 100.000% *100.0000% (0.98   3.15  11.86) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 44.5:
      O   HA    MET   96 - HN    PHE   97   2.28 +/- 0.08  99.077% * 99.9800% (0.99  10.0   6.07  44.54) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  12.63 +/- 2.66   0.923% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 5.04, residual support = 22.3:
        T HN    VAL   41 - HN    LEU   98   6.95 +/- 4.41 100.000% *100.0000% (0.69 10.00   5.04  22.29) = 100.000%  kept
    Distance limit 3.99 A violated in 8 structures by 3.05 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.08, residual support = 76.9:
      O   HA    LEU   98 - HN    LEU   98   2.90 +/- 0.03 100.000% *100.0000% (0.80  10.0   5.08  76.88) = 100.000%  kept
    Distance limit 4.21 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 = 3.37, residual support = 10.7:
      O   HA    PHE   97 - HN    LEU   98   2.22 +/- 0.04 100.000% *100.0000% (0.98  10.0   3.37  10.71) = 100.000%  kept
    Distance limit 3.15 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 = 0.489, support = 1.34, residual support = 3.89:
          HA    VAL   42 - HN    LEU   98   5.34 +/- 3.55  51.231% * 24.7004% (0.45   0.85   0.42) =  54.684%  kept
          HA    LEU   40 - HN    LEU   98   8.75 +/- 4.48  14.683% * 68.7340% (0.53   2.01   8.39) =  43.614%  kept
          HA    THR   46 - HN    LEU   98  14.91 +/- 2.70  13.355% *  1.2860% (0.99   0.02   0.02) =   0.742%  kept
          HA    GLN   17 - HN    LEU   98  16.81 +/- 4.55   7.884% *  1.2521% (0.97   0.02   0.02) =   0.427%  kept
          HA    PRO   58 - HN    LEU   98  16.59 +/- 3.48   5.852% *  0.8912% (0.69   0.02   0.02) =   0.225%  kept
          HA    GLU-  15 - HN    LEU   98  18.18 +/- 4.10   3.358% *  0.9421% (0.73   0.02   0.02) =   0.137%  kept
          HA    SER   37 - HN    LEU   98  17.09 +/- 4.33   1.712% *  1.2521% (0.97   0.02   0.02) =   0.093%
          HA    SER   13 - HN    LEU   98  22.50 +/- 5.57   1.924% *  0.9421% (0.73   0.02   0.02) =   0.078%
    Distance limit 4.46 A violated in 4 structures by 0.93 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.862, support = 0.987, residual support = 1.27:
          HN    LYS+ 102 - HN    LYS+  99   3.31 +/- 0.65  73.826% * 55.0614% (0.95   0.74   1.38) =  89.097%  kept
          HN    ASP- 105 - HN    LYS+  99   6.55 +/- 0.56  11.697% * 42.1546% (0.18   3.05   0.39) =  10.807%  kept
          HN    GLU-  36 - HN    LYS+  99  16.14 +/- 5.02   1.202% *  1.2630% (0.80   0.02   0.02) =   0.033%
          HN    THR   39 - HN    LYS+  99  13.64 +/- 5.29   2.076% *  0.5920% (0.38   0.02   0.02) =   0.027%
          HD1   TRP   87 - HN    LYS+  99  14.14 +/- 1.86   1.646% *  0.6484% (0.41   0.02   0.02) =   0.023%
          HN    GLU-  36 - HN    GLN   30   9.81 +/- 0.69   3.693% *  0.0830% (0.05   0.02   0.02) =   0.007%
          HN    THR   39 - HN    GLN   30  11.27 +/- 1.29   2.947% *  0.0389% (0.02   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HN    GLN   30  17.82 +/- 4.49   1.140% *  0.0980% (0.06   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    GLN   30  17.60 +/- 4.69   0.963% *  0.0426% (0.03   0.02   0.02) =   0.001%
          HN    ASP- 105 - HN    GLN   30  19.06 +/- 2.85   0.810% *  0.0181% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.17 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.24, residual support = 17.5:
      O   HA    LEU   98 - HN    LYS+  99   2.31 +/- 0.12  99.621% * 99.9934% (0.99  10.0   4.24  17.51) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  16.55 +/- 3.11   0.379% *  0.0066% (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 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.23, residual support = 174.6:
      O   HA    LYS+  99 - HN    LYS+  99   2.90 +/- 0.03  89.777% * 99.5300% (0.80  10.0   5.23 174.65) =  99.997%  kept
          HA    ASN   35 - HN    LYS+  99  14.58 +/- 5.32   1.863% *  0.0804% (0.65   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    LYS+  99  18.05 +/- 3.43   0.541% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  20.40 +/- 6.05   0.458% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  23.17 +/- 1.99   0.190% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  13.99 +/- 1.93   0.974% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  21.82 +/- 2.22   0.233% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.73 +/- 0.53   1.824% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  23.64 +/- 7.41   1.926% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  15.41 +/- 3.23   0.873% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  19.12 +/- 3.57   0.481% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  22.83 +/- 3.62   0.309% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  27.89 +/- 3.85   0.130% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  19.80 +/- 4.26   0.422% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.28 +/- 0.53  84.120% * 99.8929% (1.00 10.00   3.61  14.94) =  99.980%  kept
          HN    LEU   40 - HN    GLU- 100  10.14 +/- 6.53  15.880% *  0.1071% (0.14  1.00   0.16   0.02) =   0.020%
    Distance limit 4.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 6.82, residual support = 39.7:
      O   HA    LYS+  99 - HN    GLU- 100   2.20 +/- 0.04  76.888% * 99.2306% (0.99  10.0   6.83  39.71) =  99.897%  kept
          HA    LEU   40 - HN    GLU- 100   8.09 +/- 6.45  19.634% *  0.3864% (0.20   1.0   0.39   0.02) =   0.099%
          HA    ASN   35 - HN    GLU- 100  11.99 +/- 6.04   3.055% *  0.0924% (0.92   1.0   0.02   0.02) =   0.004%
          HA    LEU  123 - HN    GLU- 100  21.87 +/- 6.64   0.161% *  0.0802% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  23.90 +/- 2.22   0.066% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  25.94 +/- 2.19   0.051% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  19.84 +/- 3.39   0.144% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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   2.54 +/- 0.84  92.512% * 98.8242% (0.95   3.13  12.52) =  99.979%  kept
          HN    GLU-  36 - HN    GLY  101  15.04 +/- 5.57   1.395% *  0.5342% (0.80   0.02   0.02) =   0.008%
          HN    THR   39 - HN    GLY  101  13.08 +/- 5.80   2.509% *  0.2504% (0.38   0.02   0.02) =   0.007%
          HN    ASP- 105 - HN    GLY  101   9.72 +/- 0.89   2.797% *  0.1168% (0.18   0.02   0.02) =   0.004%
          HD1   TRP   87 - HN    GLY  101  15.72 +/- 1.64   0.787% *  0.2743% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.19 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 = 0.737, residual support = 1.38:
          HN    LYS+  99 - HN    LYS+ 102   3.31 +/- 0.65  92.059% * 93.8199% (0.98   0.74   1.38) =  99.870%  kept
          HE1   HIS  122 - HN    LYS+ 102  16.81 +/- 6.82   2.429% *  2.4535% (0.95   0.02   0.02) =   0.069%
          HN    GLU-  14 - HN    LYS+ 102  23.09 +/- 6.39   1.458% *  2.1664% (0.84   0.02   0.02) =   0.037%
          HN    GLN   30 - HN    LYS+ 102  17.82 +/- 4.49   1.428% *  0.6467% (0.25   0.02   0.02) =   0.011%
          HN    ASN   35 - HN    LYS+ 102  15.60 +/- 5.07   1.639% *  0.4002% (0.15   0.02   0.02) =   0.008%
          HN    ASP-  86 - HN    LYS+ 102  17.66 +/- 2.44   0.987% *  0.5133% (0.20   0.02   0.02) =   0.006%
    Distance limit 3.65 A violated in 0 structures by 0.11 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   2.54 +/- 0.84  98.366% * 99.9864% (1.00 10.00   3.13  12.52) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  13.72 +/- 5.20   1.634% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 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   3.28 +/- 0.53 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.981, support = 1.41, residual support = 1.38:
          HA    LYS+  99 - HN    GLY  101   4.11 +/- 0.62  70.494% * 90.2131% (0.99   1.43   1.40) =  98.525%  kept
          HA    LEU   40 - HN    GLY  101  10.35 +/- 5.77  16.389% *  4.9145% (0.20   0.39   0.02) =   1.248%  kept
          HA    ASN   35 - HN    GLY  101  13.46 +/- 6.02  10.987% *  1.1755% (0.92   0.02   0.02) =   0.200%  kept
          HA    LEU  123 - HN    GLY  101  22.92 +/- 6.17   0.685% *  1.0197% (0.80   0.02   0.02) =   0.011%
          HA    ILE   56 - HN    GLY  101  24.69 +/- 2.37   0.376% *  1.1421% (0.90   0.02   0.02) =   0.007%
          HA    ASP- 113 - HN    GLY  101  26.26 +/- 2.17   0.302% *  1.1421% (0.90   0.02   0.02) =   0.005%
          HA    PHE   59 - HN    GLY  101  20.87 +/- 3.28   0.767% *  0.3930% (0.31   0.02   0.02) =   0.005%
    Distance limit 4.77 A violated in 0 structures by 0.01 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   2.60 +/- 0.19  95.209% * 99.5220% (1.00  10.0   2.86  15.43) =  99.996%  kept
          HA    ALA   34 - HN    GLY  101  13.61 +/- 5.25   1.924% *  0.0963% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    GLY  101  15.53 +/- 5.03   1.616% *  0.0833% (0.84   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLY  101  19.48 +/- 5.42   0.584% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  21.01 +/- 2.34   0.201% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  23.68 +/- 2.40   0.138% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  23.83 +/- 7.01   0.210% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  26.55 +/- 3.14   0.117% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 6.67, residual support = 39.4:
          HN    LEU  104 - HN    ILE  103   4.55 +/- 0.17  97.885% * 99.4001% (0.49   6.67  39.44) =  99.987%  kept
          HN    PHE   72 - HN    ILE  103  17.20 +/- 2.07   2.115% *  0.5999% (0.98   0.02   0.02) =   0.013%
    Distance limit 4.50 A violated in 0 structures by 0.09 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.99, residual support = 23.5:
      O   HA    LYS+ 102 - HN    ILE  103   2.34 +/- 0.11  95.753% * 99.7796% (0.97  10.0   5.99  23.49) =  99.998%  kept
          HA    CYS   21 - HN    ILE  103  19.98 +/- 5.39   2.404% *  0.0710% (0.69   1.0   0.02   0.02) =   0.002%
          HA    ALA   20 - HN    ILE  103  20.63 +/- 5.32   1.135% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  25.34 +/- 5.60   0.218% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  23.55 +/- 4.37   0.300% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  19.04 +/- 1.26   0.190% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.03, residual support = 139.0:
      O   HA    ILE  103 - HN    ILE  103   2.80 +/- 0.13  94.142% * 99.2916% (0.98  10.0   7.03 139.04) =  99.996%  kept
          HB    THR   77 - HN    ILE  103  19.09 +/- 4.68   1.014% *  0.0935% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ILE  103  14.43 +/- 1.63   0.747% *  0.0879% (0.87   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ILE  103  16.66 +/- 2.87   0.697% *  0.0935% (0.92   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ILE  103  20.23 +/- 5.33   0.664% *  0.0908% (0.90   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ILE  103  16.48 +/- 3.71   0.620% *  0.0846% (0.84   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ILE  103  26.26 +/- 4.46   0.246% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  14.95 +/- 2.62   0.891% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  31.50 +/- 6.65   0.165% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  21.79 +/- 2.46   0.255% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  24.16 +/- 5.71   0.378% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  29.38 +/- 6.37   0.180% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 7.11, residual support = 36.9:
        T HN    ASP- 105 - HN    LEU  104   2.33 +/- 0.48  99.377% * 99.9802% (1.00 10.00   7.11  36.88) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  14.93 +/- 2.04   0.623% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.52, residual support = 9.76:
          HA    LEU   98 - HN    LEU  104   3.08 +/- 0.72 100.000% *100.0000% (0.80   3.52   9.76) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.06 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.58, residual support = 39.4:
      O   HA    ILE  103 - HN    LEU  104   2.36 +/- 0.22  95.515% * 99.2645% (0.95  10.0   6.58  39.44) =  99.996%  kept
          HA    ASP-  44 - HN    LEU  104  12.04 +/- 1.59   1.246% *  0.1049% (1.00   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    LEU  104  18.03 +/- 3.93   0.505% *  0.1040% (0.99   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    LEU  104  17.09 +/- 2.59   0.379% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  19.91 +/- 4.31   0.564% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  15.40 +/- 3.92   0.474% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  15.86 +/- 2.12   0.410% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  30.57 +/- 5.86   0.091% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  23.85 +/- 4.14   0.217% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  22.84 +/- 4.88   0.209% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  28.24 +/- 5.67   0.111% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  18.56 +/- 2.61   0.278% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.86, residual support = 58.7:
        T HN    PHE   97 - HN    ASP- 105   3.72 +/- 0.85  93.689% * 99.7623% (0.73 10.00   4.86  58.74) =  99.994%  kept
          HN    LEU  115 - HN    ASP- 105  13.93 +/- 1.97   4.543% *  0.0998% (0.73  1.00   0.02   0.02) =   0.005%
          HN    ASN   35 - HN    ASP- 105  18.54 +/- 3.21   1.406% *  0.0382% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    ASP- 105  29.68 +/- 5.25   0.362% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 2 structures by 0.23 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.11, residual support = 36.9:
        T HN    LEU  104 - HN    ASP- 105   2.33 +/- 0.48  99.534% * 99.9822% (0.87 10.00   7.11  36.88) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  15.12 +/- 1.54   0.466% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.18, residual support = 134.7:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.87 +/- 0.04 100.000% *100.0000% (0.95  10.0   5.18 134.65) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 24.6:
      O   HA    ASP- 105 - HN    LYS+ 106   2.48 +/- 0.07  98.900% * 99.6913% (0.92  10.0   3.49  24.58) =  99.999%  kept
          HA    LEU   80 - HN    LYS+ 106  19.59 +/- 3.38   0.531% *  0.1022% (0.95   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    LYS+ 106  24.17 +/- 3.28   0.141% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  23.45 +/- 3.51   0.155% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  20.32 +/- 2.99   0.274% *  0.0333% (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 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.36, residual support = 42.2:
      O   HA    ASP- 105 - HN    ASP- 105   2.85 +/- 0.04  98.269% * 99.6913% (0.92  10.0   4.36  42.19) =  99.999%  kept
          HA    LEU   80 - HN    ASP- 105  19.39 +/- 3.51   0.503% *  0.1022% (0.95   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ASP- 105  22.76 +/- 4.18   0.383% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  22.16 +/- 4.37   0.422% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  20.46 +/- 3.68   0.424% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.386, support = 5.86, residual support = 31.9:
      O   HA    LEU  104 - HN    ASP- 105   3.48 +/- 0.28  57.514% * 76.9771% (0.34  10.0   6.37  36.88) =  85.165%  kept
          HA    ILE  103 - HN    ASP- 105   4.30 +/- 0.64  35.638% * 21.6129% (0.65   1.0   2.96   3.49) =  14.817%  kept
          HA    ASP-  44 - HN    ASP- 105  11.31 +/- 1.57   2.003% *  0.1885% (0.84   1.0   0.02   0.02) =   0.007%
          HA    ASP-  86 - HN    ASP- 105  16.25 +/- 2.28   0.761% *  0.1807% (0.80   1.0   0.02   0.02) =   0.003%
          HA    SER   85 - HN    ASP- 105  17.08 +/- 2.57   0.691% *  0.1725% (0.76   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HN    ASP- 105  17.68 +/- 3.70   0.666% *  0.1725% (0.76   1.0   0.02   0.02) =   0.002%
          HA    GLU-  14 - HN    ASP- 105  23.36 +/- 4.44   0.345% *  0.1639% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ASP- 105  20.01 +/- 4.08   0.863% *  0.0627% (0.28   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ASP- 105  16.23 +/- 3.66   0.786% *  0.0502% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP- 105  28.86 +/- 5.22   0.181% *  0.1885% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP- 105  31.25 +/- 5.42   0.145% *  0.1958% (0.87   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ASP- 105  22.67 +/- 4.05   0.407% *  0.0348% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 5.43:
          QD    PHE   97 - HN    VAL  107   4.59 +/- 0.70  79.502% * 99.0099% (0.87   2.25   5.44) =  99.834%  kept
          HZ3   TRP   87 - HN    VAL  107  10.91 +/- 2.89  14.909% *  0.8124% (0.80   0.02   0.02) =   0.154%  kept
          HE3   TRP   49 - HN    VAL  107  17.32 +/- 3.74   5.589% *  0.1777% (0.18   0.02   0.02) =   0.013%
    Distance limit 4.50 A violated in 0 structures by 0.31 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.6:
      O   HA    LYS+ 106 - HN    VAL  107   2.27 +/- 0.09 100.000% *100.0000% (0.98  10.0   4.58  26.64) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.65, residual support = 60.2:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  94.046% * 99.7406% (0.95  10.0   3.65  60.17) =  99.997%  kept
          HA    ALA   91 - HN    VAL  107  12.52 +/- 1.50   1.442% *  0.1052% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ALA  110 - HN    VAL  107   9.68 +/- 1.55   3.391% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  107  18.66 +/- 1.44   0.389% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  15.60 +/- 1.86   0.731% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.60 +/- 0.41  90.048% * 99.6151% (0.87   5.82  58.74) =  99.971%  kept
          HZ3   TRP   87 - HN    ASP- 105  10.42 +/- 3.03   7.882% *  0.3158% (0.80   0.02   0.02) =   0.028%
          HE3   TRP   49 - HN    ASP- 105  21.71 +/- 5.66   2.070% *  0.0691% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 0.405, residual support = 0.02:
          HA    LYS+  74 - HN    GLY  109  18.39 +/- 2.19   5.042% * 96.9463% (0.74   0.51   0.02) =  78.419%  kept
          HA    THR   94 - HN    GLY  109   6.18 +/- 2.20  72.742% *  1.3195% (0.26   0.02   0.02) =  15.399%  kept
          HA    MET   92 - HN    GLY  109   9.64 +/- 3.05  22.217% *  1.7342% (0.34   0.02   0.02) =   6.182%  kept
    Distance limit 4.44 A violated in 8 structures by 1.78 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.548, support = 2.18, residual support = 8.44:
      O   HA1   GLY  109 - HN    GLY  109   2.68 +/- 0.24  37.358% * 65.2939% (0.73  10.0   1.76   9.33) =  53.640%  kept
      O   HA    VAL  108 - HN    GLY  109   2.24 +/- 0.04  61.208% * 34.4416% (0.34  10.0   2.66   7.42) =  46.358%  kept
          HA    CYS   50 - HN    GLY  109  14.65 +/- 3.88   0.519% *  0.0753% (0.74   1.0   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    GLY  109  13.37 +/- 3.40   0.510% *  0.0435% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  16.99 +/- 3.75   0.240% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  22.96 +/- 2.82   0.069% *  0.0528% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.51 +/- 1.15   0.095% *  0.0262% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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   3.41 +/- 0.88  93.165% * 97.3103% (0.90   3.04   9.12) =  99.957%  kept
          HN    ILE   56 - HN    ALA  110  13.02 +/- 3.90   2.991% *  0.6992% (0.98   0.02   0.46) =   0.023%
          HN    ALA   84 - HN    ALA  110  16.96 +/- 2.77   1.436% *  0.6397% (0.90   0.02   0.02) =   0.010%
          HN    LEU   63 - HN    ALA  110  16.59 +/- 2.79   0.936% *  0.6585% (0.92   0.02   0.02) =   0.007%
          HZ2   TRP   87 - HN    ALA  110  18.05 +/- 3.15   0.916% *  0.1249% (0.18   0.02   0.02) =   0.001%
          HD21  ASN   28 - HN    ALA  110  24.72 +/- 4.10   0.392% *  0.2202% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA  110  31.52 +/- 3.36   0.164% *  0.3472% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 2.03, residual support = 6.16:
      O   HA1   GLY  109 - HN    ALA  110   3.23 +/- 0.45  58.855% * 93.8843% (0.69  10.0   2.07   6.40) =  96.190%  kept
          HA    VAL  108 - HN    ALA  110   4.67 +/- 1.32  37.834% *  5.7753% (0.80   1.0   1.06   0.02) =   3.804%  kept
          HA    ALA   47 - HN    ALA  110  14.26 +/- 3.45   1.367% *  0.1226% (0.90   1.0   0.02   0.02) =   0.003%
          HA    CYS   50 - HN    ALA  110  14.87 +/- 3.70   1.131% *  0.0992% (0.73   1.0   0.02   0.02) =   0.002%
          HA    TRP   49 - HN    ALA  110  17.27 +/- 3.61   0.599% *  0.0719% (0.53   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA  110  24.14 +/- 3.83   0.215% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.73, residual support = 9.57:
      O   HA    ALA  110 - HN    ALA  110   2.48 +/- 0.28  81.975% * 98.1886% (0.18  10.0   2.74   9.58) =  99.881%  kept
          HA    ALA   91 - HN    ALA  110  10.15 +/- 3.73  10.967% *  0.5594% (1.00   1.0   0.02   0.02) =   0.076%
          HA    VAL  107 - HN    ALA  110   7.11 +/- 1.32   5.999% *  0.5304% (0.95   1.0   0.02   0.02) =   0.039%
          HA    PRO   52 - HN    ALA  110  13.40 +/- 4.06   0.959% *  0.1912% (0.34   1.0   0.02   0.02) =   0.002%
          HA    TRP   27 - HN    ALA  110  24.31 +/- 2.79   0.101% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 28.7:
        T HN    LYS+ 112 - HN    LYS+ 111   4.45 +/- 0.07  94.001% * 99.8172% (0.99 10.00   5.34  28.70) =  99.998%  kept
          HN    LYS+  74 - HN    LYS+ 111  21.36 +/- 3.36   1.147% *  0.0570% (0.57  1.00   0.02   0.02) =   0.001%
          HN    THR   46 - HN    LYS+ 111  14.55 +/- 2.14   3.252% *  0.0199% (0.20  1.00   0.02   0.02) =   0.001%
          HN    ASP-  78 - HN    LYS+ 111  19.72 +/- 3.19   1.430% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  40.13 +/- 5.36   0.170% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.30 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   3.41 +/- 0.88  97.556% * 99.9053% (1.00 10.00   3.04   9.12) =  99.998%  kept
          HN    PHE   45 - HN    LYS+ 111  13.00 +/- 2.59   2.444% *  0.0947% (0.95  1.00   0.02   0.02) =   0.002%
    Distance limit 4.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.758, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  12.60 +/- 1.96  37.029% * 58.2608% (1.00   0.02   0.02) =  62.423%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.12 +/- 1.00  39.281% * 19.8732% (0.34   0.02   0.02) =  22.588%  kept
          HD2   HIS  122 - HN    LYS+ 111  14.51 +/- 1.55  23.690% * 21.8659% (0.38   0.02   0.02) =  14.989%  kept
    Distance limit 4.52 A violated in 20 structures by 5.88 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   2.99 +/- 0.32  85.275% * 99.3312% (0.45  10.0   3.04   9.12) =  99.969%  kept
          HA    VAL  107 - HN    LYS+ 111   8.03 +/- 2.15   7.585% *  0.2138% (0.97   1.0   0.02   0.02) =   0.019%
          HA    ALA   91 - HN    LYS+ 111  11.60 +/- 3.57   4.127% *  0.1922% (0.87   1.0   0.02   0.02) =   0.009%
          HA    GLN   90 - HN    LYS+ 111  14.56 +/- 3.23   1.146% *  0.0756% (0.34   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    LYS+ 111  12.95 +/- 3.43   1.704% *  0.0438% (0.20   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    LYS+ 111  25.02 +/- 2.91   0.162% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.12 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.1, residual support = 28.7:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.49 +/- 0.23  96.683% * 99.8075% (0.53  10.0   7.10  28.70) =  99.997%  kept
          HA    VAL  108 - HN    LYS+ 112   9.36 +/- 1.02   2.361% *  0.1074% (0.57   1.0   0.02   0.02) =   0.003%
          HA    ALA   47 - HN    LYS+ 112  14.29 +/- 3.00   0.957% *  0.0851% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 2.96 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 = 24.4:
        T HN    GLU- 114 - HN    ASP- 113   2.65 +/- 0.21  81.915% * 94.2291% (0.81 10.00   5.02  24.68) =  98.973%  kept
          HN    GLN  116 - HN    ASP- 113   4.85 +/- 0.34  14.255% *  5.6050% (0.76  1.00   1.25   1.94) =   1.024%  kept
          HN    THR  118 - HN    ASP- 113   8.34 +/- 0.49   2.790% *  0.0644% (0.55  1.00   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ASP- 113  12.83 +/- 1.86   0.886% *  0.0410% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  23.76 +/- 2.99   0.156% *  0.0604% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.02, residual support = 24.7:
        T HN    ASP- 113 - HN    GLU- 114   2.65 +/- 0.21 100.000% *100.0000% (1.00 10.00   5.02  24.68) = 100.000%  kept
    Distance limit 3.10 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 = 3.81, residual support = 42.5:
      O   HA    GLU- 114 - HN    GLU- 114   2.83 +/- 0.02  83.212% * 88.6727% (0.97  10.0   3.79  43.01) =  97.824%  kept
          HA    LEU  115 - HN    GLU- 114   5.04 +/- 0.10  14.881% * 11.0245% (0.53   1.0   4.56  21.60) =   2.175%  kept
          HA    CYS   53 - HN    GLU- 114  11.81 +/- 1.68   1.442% *  0.0284% (0.31   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    GLU- 114  25.39 +/- 1.84   0.122% *  0.0797% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  28.74 +/- 3.46   0.096% *  0.0869% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.95 +/- 3.25   0.119% *  0.0631% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.23 +/- 3.19   0.129% *  0.0447% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 3.82:
          HA    LYS+ 111 - HN    ASP- 113   3.96 +/- 0.40  81.796% * 99.1984% (0.74   2.18   3.82) =  99.937%  kept
          HA    VAL  108 - HN    ASP- 113  10.02 +/- 1.26   9.093% *  0.2611% (0.21   0.02   0.02) =   0.029%
          HA    PRO   52 - HN    ASP- 113  11.82 +/- 3.04   6.342% *  0.3571% (0.29   0.02   0.02) =   0.028%
          HA    ALA   47 - HN    ASP- 113  16.07 +/- 3.29   2.768% *  0.1834% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.33 A violated in 0 structures by 0.03 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   2.74 +/- 0.07  95.302% * 99.6702% (0.85  10.0   3.46  14.38) =  99.997%  kept
          HA    ILE   56 - HN    ASP- 113  10.29 +/- 1.91   2.601% *  0.0606% (0.52   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    ASP- 113  12.32 +/- 1.01   1.172% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP- 113  17.36 +/- 0.77   0.386% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.79 +/- 2.32   0.167% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  30.18 +/- 3.03   0.082% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  20.23 +/- 2.93   0.290% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.929, support = 8.14, residual support = 87.7:
        T HN    GLN  116 - HN    LEU  115   2.71 +/- 0.14  40.270% * 83.6869% (0.99 10.00   8.81 102.50) =  81.742%  kept
          HN    GLU- 114 - HN    LEU  115   2.49 +/- 0.11  51.804% * 14.2659% (0.65  1.00   5.22  21.60) =  17.925%  kept
          HN    THR  118 - HN    LEU  115   4.93 +/- 0.34   7.027% *  1.9462% (0.95  1.00   0.49   0.12) =   0.332%  kept
          HN    PHE   60 - HN    LEU  115  10.64 +/- 1.19   0.760% *  0.0645% (0.76  1.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    LEU  115  20.87 +/- 2.32   0.100% *  0.0235% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  28.22 +/- 2.48   0.039% *  0.0130% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 8.81, residual support = 102.5:
        T HN    LEU  115 - HN    GLN  116   2.71 +/- 0.14  99.169% * 99.8619% (0.98 10.00   8.81 102.50) =  99.999%  kept
          HN    PHE   97 - HN    GLN  116  14.27 +/- 1.58   0.773% *  0.0999% (0.98  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLN  116  34.57 +/- 3.68   0.057% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 5.61, residual support = 28.2:
        T HN    SER  117 - HN    GLN  116   2.78 +/- 0.16  99.667% * 99.8966% (0.97 10.00   5.61  28.17) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  25.54 +/- 2.50   0.145% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  24.14 +/- 2.37   0.187% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.966, support = 4.09, residual support = 16.0:
        T HN    THR  118 - HN    SER  117   2.62 +/- 0.18  49.510% * 47.7924% (0.95 10.00   2.74   5.14) =  52.578%  kept
        T HN    GLN  116 - HN    SER  117   2.78 +/- 0.16  42.361% * 50.0755% (0.99 10.00   5.61  28.17) =  47.134%  kept
          HN    GLU- 114 - HN    SER  117   5.00 +/- 0.36   7.385% *  1.7242% (0.65  1.00   1.06   0.87) =   0.283%  kept
        T HN    PHE   60 - HN    SER  117  11.61 +/- 0.92   0.596% *  0.3861% (0.76 10.00   0.02   0.02) =   0.005%
          HN    LEU   71 - HN    SER  117  21.27 +/- 2.48   0.104% *  0.0140% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  28.35 +/- 2.87   0.044% *  0.0078% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.01, residual support = 113.2:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.080% * 99.8133% (0.95  10.0   2.01 113.21) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN  116   9.42 +/- 1.29   0.733% *  0.1018% (0.96   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HE21  GLN  116  16.45 +/- 2.03   0.152% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  25.85 +/- 3.16   0.035% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.01, residual support = 113.2:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  95.161% * 99.7477% (0.90  10.0 10.00   2.01 113.21) =  99.995%  kept
          HN    ALA  120 - HE22  GLN  116   6.38 +/- 1.61   3.307% *  0.1090% (0.98   1.0  1.00   0.02   0.15) =   0.004%
          HN    ALA   57 - HE22  GLN  116  11.33 +/- 2.56   1.126% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN  116  11.88 +/- 2.01   0.356% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  24.20 +/- 3.96   0.050% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 1.22, residual support = 1.94:
          HA    ASP- 113 - HN    GLN  116   3.75 +/- 0.19  80.211% * 94.8798% (1.00   1.23   1.94) =  99.765%  kept
          HA    ILE   56 - HN    GLN  116   8.46 +/- 1.18   8.727% *  0.9406% (0.61   0.02   0.02) =   0.108%  kept
          HA    PHE   59 - HN    GLN  116   8.85 +/- 1.02   7.517% *  0.9406% (0.61   0.02   0.27) =   0.093%
          HA    LEU  123 - HN    GLN  116  12.82 +/- 0.71   2.135% *  0.7548% (0.49   0.02   0.02) =   0.021%
          HA    LYS+  99 - HN    GLN  116  21.05 +/- 2.12   0.506% *  1.2417% (0.80   0.02   0.02) =   0.008%
          HA    ASN   35 - HN    GLN  116  27.23 +/- 3.46   0.244% *  1.0032% (0.65   0.02   0.02) =   0.003%
          HA    TRP   87 - HN    GLN  116  19.79 +/- 2.41   0.660% *  0.2393% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.92, residual support = 113.2:
      O   HA    GLN  116 - HN    GLN  116   2.73 +/- 0.05  98.270% * 99.5202% (1.00  10.0   6.93 113.21) =  99.999%  kept
          HA    VAL   70 - HN    GLN  116  20.13 +/- 2.57   0.291% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  21.23 +/- 1.98   0.231% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  18.31 +/- 3.27   0.528% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  28.20 +/- 4.35   0.133% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  25.53 +/- 2.71   0.150% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  27.72 +/- 3.75   0.120% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.56 +/- 3.34   0.134% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  24.81 +/- 2.64   0.144% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.916, support = 7.14, residual support = 178.7:
      O   HA    LEU  115 - HN    LEU  115   2.78 +/- 0.04  67.090% * 60.5049% (1.00  10.0   7.84 226.06) =  76.830%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.59 +/- 0.04  31.205% * 39.2280% (0.65  10.0   4.83  21.60) =  23.169%  kept
          HA    ARG+  54 - HN    LEU  115  13.05 +/- 1.21   0.739% *  0.0392% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    LEU  115  17.07 +/- 1.16   0.308% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  24.30 +/- 3.19   0.129% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.94 +/- 3.20   0.120% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  23.90 +/- 1.70   0.111% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  20.19 +/- 2.26   0.202% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  26.72 +/- 3.47   0.096% *  0.0187% (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 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   2.78 +/- 0.05  98.924% * 99.4282% (0.38  10.0   3.64  15.39) =  99.998%  kept
          HA    ASP-  62 - HN    SER  117  14.44 +/- 1.12   0.754% *  0.2506% (0.95   1.0   0.02   0.02) =   0.002%
          HB    THR   26 - HN    SER  117  26.56 +/- 3.79   0.149% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  25.54 +/- 2.77   0.173% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.8, residual support = 52.4:
        T HN    ILE  119 - HN    ALA  120   2.65 +/- 0.15  98.949% * 99.2864% (0.83 10.00   5.80  52.42) =  99.996%  kept
        T HN    CYS   21 - HN    ALA  120  21.40 +/- 4.73   0.621% *  0.4963% (0.41 10.00   0.02   0.02) =   0.003%
          HN    ILE   89 - HN    ALA  120  21.00 +/- 2.58   0.229% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  25.75 +/- 5.36   0.201% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 6.85, residual support = 54.4:
          HN    HIS  122 - HN    LYS+ 121   2.72 +/- 0.03  87.829% * 99.4635% (0.80   6.85  54.38) =  99.987%  kept
          QE    PHE   59 - HN    LYS+ 121   5.86 +/- 0.77  10.245% *  0.0724% (0.20   0.02   0.02) =   0.008%
          HN    PHE   59 - HN    LYS+ 121  10.71 +/- 1.05   1.605% *  0.1762% (0.49   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LYS+ 121  20.29 +/- 4.76   0.320% *  0.2879% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.26 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 = 5.39, residual support = 31.3:
          HN    LEU  123 - HN    HIS  122   2.10 +/- 0.11  96.354% * 89.9857% (0.26   5.41  31.46) =  99.621%  kept
          HN    ALA  124 - HN    HIS  122   6.47 +/- 0.18   3.388% *  9.7164% (0.09   1.70   0.02) =   0.378%  kept
          HE21  GLN   17 - HN    HIS  122  22.12 +/- 4.57   0.128% *  0.1564% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  21.35 +/- 3.22   0.130% *  0.1415% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 5.4, residual support = 31.5:
          HN    HIS  122 - HN    LEU  123   2.10 +/- 0.11  96.540% * 99.0603% (0.87   5.41  31.46) =  99.991%  kept
          QE    PHE   59 - HN    LEU  123   7.56 +/- 1.09   2.595% *  0.2223% (0.53   0.02   0.02) =   0.006%
          HN    PHE   59 - HN    LEU  123  11.10 +/- 1.25   0.749% *  0.3790% (0.90   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LEU  123  22.27 +/- 4.66   0.116% *  0.3384% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 4.14, residual support = 12.2:
      O   HA    LEU  123 - HN    ALA  124   2.26 +/- 0.04  96.577% * 99.5133% (1.00  10.0   4.14  12.24) =  99.998%  kept
          HA    ASN   35 - HN    ALA  124  25.34 +/- 9.30   0.802% *  0.0978% (0.98   1.0   0.02   0.02) =   0.001%
          HA    ILE   56 - HN    ALA  124  15.71 +/- 2.78   0.428% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  20.91 +/- 7.95   0.807% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  21.42 +/- 6.84   0.230% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  14.69 +/- 2.44   0.469% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.73 +/- 1.06   0.248% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  23.86 +/- 7.43   0.332% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  27.88 +/- 7.72   0.107% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 9.16:
      O   HA    ALA  124 - HN    ALA  124   2.73 +/- 0.23  96.832% * 99.5735% (1.00  10.0   1.81   9.16) =  99.998%  kept
          HA    ARG+  54 - HN    ALA  124  20.13 +/- 3.09   0.336% *  0.1063% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  23.61 +/- 8.32   0.993% *  0.0340% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA  124  14.88 +/- 0.72   0.623% *  0.0494% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  25.96 +/- 7.51   0.543% *  0.0536% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  27.70 +/- 9.09   0.334% *  0.0757% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  29.75 +/- 4.11   0.160% *  0.0882% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  25.48 +/- 6.13   0.180% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 31.5:
      O   HA    HIS  122 - HN    LEU  123   3.44 +/- 0.07  97.104% * 99.8702% (1.00  10.0   4.26  31.46) =  99.998%  kept
          HA    VAL   41 - HN    LEU  123  18.57 +/- 5.82   1.903% *  0.0800% (0.80   1.0   0.02   0.02) =   0.002%
          HA    PHE   45 - HN    LEU  123  19.49 +/- 2.20   0.608% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.17 +/- 1.69   0.385% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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   2.90 +/- 0.04  91.408% * 99.5133% (1.00  10.0   5.93 202.22) =  99.994%  kept
          HA    ILE   56 - HN    LEU  123  12.78 +/- 2.25   1.673% *  0.0989% (0.99   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HN    LEU  123  18.55 +/- 6.89   2.244% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    LEU  123  18.73 +/- 6.17   0.726% *  0.0894% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    LEU  123  23.86 +/- 7.46   0.637% *  0.0978% (0.98   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU  123  12.16 +/- 2.07   1.789% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LEU  123  13.51 +/- 0.74   0.943% *  0.0565% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LEU  123  23.15 +/- 5.80   0.406% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  27.30 +/- 6.16   0.175% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.83, residual support = 71.0:
          HD2   HIS  122 - HN    HIS  122   2.64 +/- 0.35  96.569% * 97.2739% (0.11   6.83  71.03) =  99.985%  kept
          HE22  GLN  116 - HN    HIS  122   9.72 +/- 1.53   2.776% *  0.3149% (0.12   0.02   0.02) =   0.009%
          HE22  GLN   32 - HN    HIS  122  27.37 +/- 6.61   0.275% *  0.8008% (0.31   0.02   0.02) =   0.002%
          HE22  GLN   17 - HN    HIS  122  22.54 +/- 4.66   0.225% *  0.9049% (0.35   0.02   0.02) =   0.002%
          HE22  GLN   90 - HN    HIS  122  25.46 +/- 3.55   0.155% *  0.7055% (0.27   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.26, residual support = 71.0:
      O   HA    HIS  122 - HN    HIS  122   2.91 +/- 0.01  98.090% * 99.8131% (0.30  10.0   5.26  71.03) =  99.998%  kept
          HA    VAL   41 - HN    HIS  122  17.18 +/- 5.55   1.415% *  0.1192% (0.35   1.0   0.02   0.02) =   0.002%
          HA    PHE   45 - HN    HIS  122  17.86 +/- 2.33   0.496% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.608, support = 5.24, residual support = 182.0:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.01  61.971% * 38.4533% (0.49  10.0   6.44 313.76) =  57.639%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.57 +/- 0.02  28.621% * 61.1842% (0.77  10.0   3.61   2.83) =  42.356%  kept
          QB    SER  117 - HN    LYS+ 121   5.89 +/- 0.55   7.056% *  0.0176% (0.22   1.0   0.02   0.02) =   0.003%
          QB    SER   48 - HN    LYS+ 121  21.19 +/- 3.80   0.639% *  0.0508% (0.64   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  17.27 +/- 2.50   0.308% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  23.25 +/- 3.52   0.247% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.56 +/- 1.79   0.312% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  23.51 +/- 4.27   0.142% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  21.70 +/- 2.15   0.147% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  19.85 +/- 2.19   0.195% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  24.87 +/- 6.28   0.232% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  23.31 +/- 3.34   0.131% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.733, support = 3.58, residual support = 13.3:
      O   HA    ALA  120 - HN    ALA  120   2.75 +/- 0.05  74.081% * 90.6942% (0.74  10.0   3.58  13.44) =  98.593%  kept
          HA    LYS+ 121 - HN    ALA  120   5.23 +/- 0.14  10.955% *  8.0328% (0.35   1.0   3.78   2.83) =   1.291%  kept
          QB    SER  117 - HN    ALA  120   5.04 +/- 0.18  12.203% *  0.6335% (0.12   1.0   0.83   5.15) =   0.113%  kept
          HA    LYS+  65 - HN    ALA  120  17.27 +/- 2.25   0.364% *  0.1130% (0.92   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    ALA  120  20.51 +/- 3.66   0.581% *  0.0641% (0.52   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    ALA  120  23.46 +/- 2.82   0.187% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.34 +/- 1.13   0.372% *  0.0508% (0.41   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  23.96 +/- 4.07   0.156% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  18.59 +/- 2.31   0.284% *  0.0596% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.07 +/- 5.73   0.198% *  0.0386% (0.31   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  20.33 +/- 2.18   0.207% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  21.73 +/- 3.38   0.277% *  0.0175% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  23.50 +/- 2.68   0.137% *  0.0350% (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 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.763, support = 4.22, residual support = 12.2:
          HB2   LEU  123 - HN    ALA  124   4.10 +/- 0.19  80.842% * 96.2260% (0.76   4.22  12.24) =  99.892%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.32 +/- 0.31   7.152% *  0.4331% (0.73   0.02   0.02) =   0.040%
          QD    LYS+  38 - HN    ALA  124  22.93 +/- 8.23   4.825% *  0.5642% (0.95   0.02   0.02) =   0.035%
          QD    LYS+  65 - HN    ALA  124  16.45 +/- 3.52   2.297% *  0.4558% (0.76   0.02   0.02) =   0.013%
          QD    LYS+ 102 - HN    ALA  124  22.42 +/- 5.61   0.861% *  0.5642% (0.95   0.02   0.02) =   0.006%
          HB    VAL   83 - HN    ALA  124  28.29 +/- 4.94   0.558% *  0.4982% (0.84   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    ALA  124  22.55 +/- 2.82   0.572% *  0.4776% (0.80   0.02   0.02) =   0.004%
          HB2   LEU   73 - HN    ALA  124  21.93 +/- 5.45   1.212% *  0.1487% (0.25   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    ALA  124  22.47 +/- 1.32   0.516% *  0.2903% (0.49   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    ALA  124  24.97 +/- 2.50   0.406% *  0.2238% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ALA  124  22.87 +/- 4.79   0.760% *  0.1180% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.07 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.81, residual support = 9.16:
      O   QB    ALA  124 - HN    ALA  124   2.22 +/- 0.31  90.784% * 98.5530% (0.65  10.0   1.81   9.16) =  99.993%  kept
          HG3   LYS+  33 - HN    ALA  124  24.84 +/- 8.64   1.525% *  0.0819% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ALA  124  25.11 +/- 8.23   3.925% *  0.0295% (0.18   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    ALA  124  18.52 +/- 4.66   0.848% *  0.0952% (0.57   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA  124  18.20 +/- 5.68   0.604% *  0.0952% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA  124  16.14 +/- 2.97   0.549% *  0.0631% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.05 +/- 5.00   0.247% *  0.1088% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  18.39 +/- 1.30   0.204% *  0.1285% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  24.88 +/- 6.87   0.221% *  0.1155% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  20.38 +/- 4.12   0.163% *  0.1459% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.21 +/- 2.68   0.141% *  0.1508% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  22.33 +/- 5.36   0.163% *  0.1285% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  19.77 +/- 3.11   0.222% *  0.0819% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  23.95 +/- 2.60   0.102% *  0.1459% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  28.61 +/- 5.73   0.190% *  0.0468% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  25.77 +/- 6.33   0.110% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 5.74, residual support = 27.6:
          HA    ALA  120 - HN    LEU  123   2.66 +/- 0.11  74.461% * 73.8808% (0.99   6.07  30.05) =  91.091%  kept
          HA    LYS+ 121 - HN    LEU  123   4.08 +/- 0.18  21.696% * 24.7720% (0.84   2.41   2.31) =   8.899%  kept
          QB    SER  117 - HN    LEU  123   8.78 +/- 0.39   2.121% *  0.1196% (0.49   0.02   0.02) =   0.004%
          QB    SER   48 - HN    LEU  123  22.28 +/- 3.66   0.326% *  0.2371% (0.97   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LEU  123  16.55 +/- 3.45   0.458% *  0.1688% (0.69   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU  123  18.82 +/- 1.76   0.229% *  0.2204% (0.90   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    LEU  123  22.11 +/- 5.55   0.233% *  0.1878% (0.76   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LEU  123  25.33 +/- 3.37   0.154% *  0.1878% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  22.57 +/- 2.55   0.144% *  0.1878% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  21.10 +/- 2.54   0.179% *  0.0379% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.977, support = 4.52, residual support = 29.7:
          HB3   HIS  122 - HN    LEU  123   3.63 +/- 0.49  69.848% * 81.9956% (0.99   4.73  31.46) =  93.888%  kept
          QE    LYS+ 121 - HN    LEU  123   6.29 +/- 0.98  21.017% * 17.6896% (0.76   1.32   2.31) =   6.095%  kept
          HG2   GLN   30 - HN    LEU  123  22.07 +/- 6.57   5.440% *  0.0972% (0.28   0.02   0.02) =   0.009%
          HB3   ASP-  78 - HN    LEU  123  25.50 +/- 5.05   2.884% *  0.1702% (0.49   0.02   0.02) =   0.008%
          HB3   ASN   28 - HN    LEU  123  25.59 +/- 6.39   0.812% *  0.0473% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.81 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 = 202.0:
          HG    LEU  123 - HN    LEU  123   3.43 +/- 0.42  69.435% * 96.6288% (0.76   5.51 202.22) =  99.885%  kept
          HG3   PRO   68 - HN    LEU  123  17.53 +/- 7.17   6.673% *  0.3983% (0.87   0.02   0.02) =   0.040%
          QB    LYS+  33 - HN    LEU  123  21.49 +/- 6.72   4.457% *  0.2971% (0.65   0.02   0.02) =   0.020%
          HB3   ASP- 105 - HN    LEU  123  12.56 +/- 5.96   3.718% *  0.3509% (0.76   0.02   0.02) =   0.019%
          QB    LYS+  66 - HN    LEU  123  12.90 +/- 5.18   6.545% *  0.0909% (0.20   0.02   0.02) =   0.009%
          HB    VAL   41 - HN    LEU  123  19.06 +/- 6.02   2.565% *  0.1566% (0.34   0.02   0.02) =   0.006%
          HB    ILE  103 - HN    LEU  123  18.93 +/- 5.05   0.822% *  0.3836% (0.84   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    LEU  123  14.51 +/- 3.38   1.382% *  0.2059% (0.45   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    LEU  123  19.16 +/- 2.89   0.662% *  0.3677% (0.80   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    LEU  123  19.46 +/- 3.10   0.511% *  0.3509% (0.76   0.02   0.02) =   0.003%
          HG12  ILE  103 - HN    LEU  123  19.00 +/- 4.94   0.748% *  0.2235% (0.49   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU  123  12.47 +/- 2.50   2.015% *  0.0621% (0.14   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    LEU  123  25.24 +/- 3.47   0.274% *  0.2235% (0.49   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU  123  25.55 +/- 2.21   0.193% *  0.2600% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.10 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.88, residual support = 198.6:
      O   HB2   LEU  123 - HN    LEU  123   2.56 +/- 0.37  84.130% * 87.9619% (0.76  10.0   5.94 202.22) =  98.195%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.12 +/- 0.15  11.914% * 11.3934% (0.73   1.0   2.73   2.31) =   1.801%  kept
          QD    LYS+  38 - HN    LEU  123  21.74 +/- 6.69   0.652% *  0.1089% (0.95   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    LEU  123  14.72 +/- 2.70   0.687% *  0.0880% (0.76   1.0   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    LEU  123  24.74 +/- 4.73   0.419% *  0.0961% (0.84   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU  123  19.87 +/- 5.27   0.326% *  0.1089% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  18.80 +/- 2.80   0.327% *  0.0922% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.37 +/- 4.96   0.619% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  18.86 +/- 1.25   0.264% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  20.38 +/- 3.95   0.441% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.14 +/- 2.41   0.221% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.04 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.868, support = 6.33, residual support = 202.2:
          QD1   LEU  123 - HN    LEU  123   2.28 +/- 0.33  75.785% * 84.7395% (0.90   6.34 202.22) =  96.163%  kept
          QD2   LEU  123 - HN    LEU  123   4.00 +/- 0.61  17.879% * 14.2784% (0.15   6.21 202.22) =   3.823%  kept
          QG1   VAL   70 - HN    LEU  123  13.33 +/- 4.71   2.299% *  0.2047% (0.69   0.02   0.02) =   0.007%
          HB3   LEU  104 - HN    LEU  123  14.80 +/- 6.79   0.629% *  0.2954% (0.99   0.02   0.02) =   0.003%
          HB3   LEU   63 - HN    LEU  123  13.64 +/- 3.66   2.592% *  0.0460% (0.15   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    LEU  123  17.18 +/- 3.86   0.384% *  0.2673% (0.90   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    LEU  123  16.26 +/- 4.14   0.431% *  0.1687% (0.57   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.245, support = 6.75, residual support = 37.0:
      O   HA    LYS+ 121 - HN    HIS  122   3.50 +/- 0.02  46.841% * 65.6195% (0.20  10.0   7.05  54.38) =  66.768%  kept
          HA    ALA  120 - HN    HIS  122   3.54 +/- 0.11  45.359% * 33.7181% (0.33   1.0   6.15   2.00) =  33.223%  kept
          QB    SER  117 - HN    HIS  122   8.05 +/- 0.41   3.971% *  0.0289% (0.09   1.0   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    HIS  122  15.70 +/- 3.03   0.725% *  0.1070% (0.33   1.0   0.02   0.02) =   0.002%
          QB    SER   48 - HN    HIS  122  21.08 +/- 3.75   0.760% *  0.0886% (0.27   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    HIS  122  21.71 +/- 4.88   0.319% *  0.1119% (0.34   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    HIS  122  17.09 +/- 2.01   0.450% *  0.0750% (0.23   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    HIS  122  23.82 +/- 3.45   0.293% *  0.1119% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    HIS  122  21.58 +/- 2.31   0.235% *  0.0564% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  23.76 +/- 6.73   0.573% *  0.0229% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  19.95 +/- 2.30   0.302% *  0.0395% (0.12   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  24.22 +/- 3.21   0.173% *  0.0203% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.262, support = 6.45, residual support = 17.4:
          HA    ILE  119 - HN    HIS  122   3.53 +/- 0.20  71.504% * 62.8664% (0.27   6.69  19.73) =  86.092%  kept
          HA    THR  118 - HN    HIS  122   5.57 +/- 0.28  19.837% * 36.5717% (0.21   4.91   3.24) =  13.894%  kept
          HD3   PRO   58 - HN    HIS  122  11.51 +/- 2.62   6.259% *  0.0683% (0.10   0.02   0.02) =   0.008%
          HA    VAL   75 - HN    HIS  122  18.82 +/- 3.34   0.697% *  0.1293% (0.19   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    HIS  122  16.99 +/- 2.81   0.986% *  0.0759% (0.11   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    HIS  122  22.03 +/- 3.21   0.419% *  0.1196% (0.17   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    HIS  122  23.67 +/- 2.82   0.297% *  0.1688% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.20 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 = 5.38, residual support = 71.0:
      O   HB2   HIS  122 - HN    HIS  122   3.37 +/- 0.51  87.384% * 99.5910% (0.11  10.0   5.38  71.03) =  99.986%  kept
          HB2   HIS   22 - HN    HIS  122  24.16 +/- 6.80   2.708% *  0.1698% (0.19   1.0   0.02   0.02) =   0.005%
          HA    LEU   63 - HN    HIS  122  11.72 +/- 3.85   8.107% *  0.0565% (0.06   1.0   0.02   0.02) =   0.005%
          HA    LYS+ 112 - HN    HIS  122  13.07 +/- 0.78   1.801% *  0.1827% (0.20   1.0   0.02   0.02) =   0.004%
    Distance limit 3.87 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 = 6.51, residual support = 69.8:
      O   HB3   HIS  122 - HN    HIS  122   2.86 +/- 0.47  69.808% * 82.6049% (0.33  10.0   6.52  71.03) =  92.477%  kept
          QE    LYS+ 121 - HN    HIS  122   5.07 +/- 0.98  27.076% * 17.3216% (0.21   1.0   6.38  54.38) =   7.521%  kept
          HB3   ASP-  78 - HN    HIS  122  24.18 +/- 4.66   1.095% *  0.0579% (0.23   1.0   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    HIS  122  21.06 +/- 6.03   2.021% *  0.0157% (0.06   1.0   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.31, support = 7.39, residual support = 51.0:
          HB2   LYS+ 121 - HN    HIS  122   3.36 +/- 0.19  59.910% * 73.1750% (0.33   7.75  54.38) =  85.064%  kept
          HB2   LEU  123 - HN    HIS  122   4.34 +/- 0.41  29.848% * 25.7547% (0.17   5.30  31.46) =  14.916%  kept
          QD    LYS+  65 - HN    HIS  122  14.02 +/- 2.47   1.342% *  0.1925% (0.34   0.02   0.02) =   0.005%
          HB    VAL   83 - HN    HIS  122  23.04 +/- 4.80   1.044% *  0.1977% (0.35   0.02   0.02) =   0.004%
          QB    ALA   57 - HN    HIS  122  11.66 +/- 2.51   4.304% *  0.0349% (0.06   0.02   0.02) =   0.003%
          QD    LYS+  38 - HN    HIS  122  21.01 +/- 5.96   0.758% *  0.1977% (0.35   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HN    HIS  122  18.59 +/- 5.31   0.561% *  0.1449% (0.26   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    HIS  122  17.48 +/- 2.83   0.512% *  0.1050% (0.19   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    HIS  122  19.20 +/- 3.74   0.576% *  0.0820% (0.15   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    HIS  122  17.87 +/- 1.34   0.432% *  0.0497% (0.09   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.69 +/- 2.37   0.339% *  0.0349% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  18.82 +/- 1.57   0.374% *  0.0308% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.282, support = 6.61, residual support = 54.4:
          HB3   LYS+ 121 - HN    HIS  122   4.06 +/- 0.35  41.688% * 66.8145% (0.35   6.32  54.38) =  68.236%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.29 +/- 0.75  40.171% * 32.2148% (0.15   7.26  54.38) =  31.703%  kept
          QD    LYS+  66 - HN    HIS  122  13.15 +/- 4.86   7.589% *  0.1728% (0.28   0.02   0.02) =   0.032%
          HG    LEU  104 - HN    HIS  122  14.45 +/- 6.48   2.492% *  0.2115% (0.35   0.02   0.02) =   0.013%
          HG2   LYS+  33 - HN    HIS  122  22.03 +/- 7.03   4.951% *  0.0600% (0.10   0.02   0.02) =   0.007%
          HB3   LYS+ 111 - HN    HIS  122  16.09 +/- 1.38   0.666% *  0.1992% (0.33   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HN    HIS  122  19.83 +/- 3.91   0.509% *  0.1935% (0.32   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HN    HIS  122  16.13 +/- 3.09   0.924% *  0.0736% (0.12   0.02   0.02) =   0.002%
          QG2   THR   26 - HN    HIS  122  19.11 +/- 4.83   1.008% *  0.0600% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 6.32, residual support = 31.4:
          QD1   LEU  123 - HN    HIS  122   2.92 +/- 0.30  78.785% * 98.4915% (0.31   6.33  31.46) =  99.928%  kept
          HB3   LEU   63 - HN    HIS  122  12.42 +/- 3.64  10.057% *  0.2321% (0.23   0.02   0.02) =   0.030%
          QG1   VAL   70 - HN    HIS  122  12.45 +/- 4.51   6.185% *  0.3556% (0.35   0.02   0.02) =   0.028%
          HB3   LEU  104 - HN    HIS  122  13.37 +/- 6.85   2.362% *  0.1888% (0.19   0.02   0.02) =   0.006%
          QG1   VAL   18 - HN    HIS  122  15.51 +/- 3.75   0.913% *  0.3580% (0.35   0.02   0.02) =   0.004%
          QD1   LEU   71 - HN    HIS  122  16.43 +/- 3.41   0.820% *  0.3112% (0.31   0.02   0.02) =   0.003%
          QG1   VAL  108 - HN    HIS  122  14.81 +/- 2.37   0.878% *  0.0628% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.20 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 = 0.556, support = 3.53, residual support = 7.11:
          HA    ILE  119 - HN    LYS+ 121   3.90 +/- 0.13  38.026% * 64.3594% (0.61   4.12   8.05) =  55.135%  kept
          HA    THR  118 - HN    LYS+ 121   3.38 +/- 0.25  57.360% * 34.7068% (0.49   2.80   5.97) =  44.850%  kept
          HD3   PRO   58 - HN    LYS+ 121  12.14 +/- 2.20   2.595% *  0.1136% (0.22   0.02   0.02) =   0.007%
          HA2   GLY  109 - HN    LYS+ 121  15.12 +/- 2.92   1.053% *  0.1261% (0.25   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    LYS+ 121  19.53 +/- 2.79   0.372% *  0.2149% (0.42   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    LYS+ 121  23.66 +/- 3.01   0.258% *  0.2805% (0.55   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    LYS+ 121  21.62 +/- 3.07   0.336% *  0.1988% (0.39   0.02   0.02) =   0.002%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 609 (1.66, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.756, support = 6.92, residual support = 311.8:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.35 +/- 0.31  86.181% * 93.7477% (0.76  10.0   6.94 313.76) =  99.379%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.40 +/- 0.79   8.774% *  5.7207% (0.39   1.0   2.37   2.31) =   0.617%  kept
          HB    VAL   83 - HN    LYS+ 121  23.01 +/- 4.54   1.124% *  0.0982% (0.79   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    LYS+ 121  15.34 +/- 2.27   0.726% *  0.0956% (0.77   1.0   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    LYS+ 121  22.02 +/- 5.55   0.294% *  0.0982% (0.79   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  18.24 +/- 5.24   0.330% *  0.0720% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  16.74 +/- 2.89   0.390% *  0.0521% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  12.33 +/- 2.21   1.148% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  16.07 +/- 1.45   0.325% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  20.28 +/- 3.21   0.189% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.94 +/- 2.46   0.254% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  16.98 +/- 1.66   0.266% *  0.0153% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.53, support = 5.41, residual support = 230.7:
          HD2   LYS+ 121 - HN    LYS+ 121   3.72 +/- 0.77  34.019% * 82.1962% (0.64   6.10 313.76) =  73.300%  kept
          QB    ALA  120 - HN    LYS+ 121   2.79 +/- 0.11  61.804% * 16.4692% (0.22   3.52   2.83) =  26.682%  kept
          HB3   LEU   40 - HN    LYS+ 121  17.75 +/- 5.90   0.937% *  0.1639% (0.39   0.02   0.02) =   0.004%
          HG    LEU  115 - HN    LYS+ 121   9.63 +/- 0.66   1.580% *  0.0936% (0.22   0.02   0.02) =   0.004%
          QD    LYS+  66 - HN    LYS+ 121  14.60 +/- 4.68   0.844% *  0.1384% (0.33   0.02   0.02) =   0.003%
          QG2   THR   26 - HN    LYS+ 121  20.34 +/- 4.35   0.309% *  0.3108% (0.74   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HN    LYS+ 121  17.64 +/- 2.68   0.303% *  0.2920% (0.70   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HN    LYS+ 121  20.39 +/- 3.47   0.204% *  0.3359% (0.80   0.02   0.02) =   0.002%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.8, residual support = 309.1:
          HG2   LYS+ 121 - HN    LYS+ 121   4.18 +/- 0.31  64.874% * 94.5466% (0.77   5.87 313.76) =  98.469%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.37 +/- 0.30  19.684% *  4.6322% (0.16   1.40   8.05) =   1.464%  kept
          QG2   VAL  107 - HN    LYS+ 121   9.04 +/- 2.85  10.349% *  0.3308% (0.79   0.02   0.02) =   0.055%
          HG13  ILE  103 - HN    LYS+ 121  16.63 +/- 4.49   1.489% *  0.2159% (0.52   0.02   0.02) =   0.005%
          QB    ALA   20 - HN    LYS+ 121  19.11 +/- 3.88   1.261% *  0.2159% (0.52   0.02   0.02) =   0.004%
          HB3   LEU   31 - HN    LYS+ 121  21.69 +/- 6.26   2.342% *  0.0585% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.14 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.695, support = 2.14, residual support = 2.31:
          QD1   LEU  123 - HN    LYS+ 121   4.49 +/- 0.20  58.219% * 87.7666% (0.72   2.17   2.31) =  95.884%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.32 +/- 0.58  22.431% *  9.2666% (0.12   1.33   2.31) =   3.900%  kept
          HB3   LEU  104 - HN    LYS+ 121  13.12 +/- 6.58   6.582% *  0.8923% (0.79   0.02   0.02) =   0.110%  kept
          QG1   VAL   70 - HN    LYS+ 121  13.63 +/- 4.09   5.137% *  0.6184% (0.55   0.02   0.02) =   0.060%
          QD1   LEU   71 - HN    LYS+ 121  17.62 +/- 2.99   1.275% *  0.8074% (0.72   0.02   0.02) =   0.019%
          QG1   VAL   18 - HN    LYS+ 121  16.76 +/- 3.16   1.478% *  0.5097% (0.45   0.02   0.02) =   0.014%
          HB3   LEU   63 - HN    LYS+ 121  13.58 +/- 3.53   4.878% *  0.1389% (0.12   0.02   0.02) =   0.013%
    Distance limit 4.23 A violated in 0 structures by 0.19 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.13, residual support = 52.4:
          HB    ILE  119 - HN    ALA  120   2.83 +/- 0.17  93.938% * 97.5254% (0.90   5.13  52.42) =  99.984%  kept
          HB2   GLN   30 - HN    ALA  120  22.31 +/- 5.25   0.717% *  0.3799% (0.90   0.02   0.02) =   0.003%
          HG3   GLN   30 - HN    ALA  120  22.71 +/- 5.23   0.743% *  0.3666% (0.87   0.02   0.02) =   0.003%
          HB    VAL  108 - HN    ALA  120  14.71 +/- 2.41   0.836% *  0.3237% (0.77   0.02   0.02) =   0.003%
          HB2   PRO   93 - HN    ALA  120  14.47 +/- 2.48   0.857% *  0.1737% (0.41   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    ALA  120  17.42 +/- 2.03   0.483% *  0.2962% (0.71   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    ALA  120  13.07 +/- 1.39   1.154% *  0.1196% (0.28   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    ALA  120  20.11 +/- 5.02   0.540% *  0.2350% (0.56   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ALA  120  23.85 +/- 4.89   0.221% *  0.3867% (0.92   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ALA  120  23.53 +/- 4.11   0.266% *  0.0966% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  23.13 +/- 3.53   0.245% *  0.0966% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 4.01, residual support = 13.3:
      O   QB    ALA  120 - HN    ALA  120   2.10 +/- 0.07  89.803% * 83.5524% (0.49  10.0   4.01  13.44) =  98.673%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.91 +/- 0.99   6.354% * 15.8347% (0.49   1.0   3.79   2.83) =   1.323%  kept
          HG    LEU  115 - HN    ALA  120   8.07 +/- 0.77   1.795% *  0.0836% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    ALA  120  18.88 +/- 5.43   0.342% *  0.1214% (0.71   1.0   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    ALA  120  14.65 +/- 4.47   0.934% *  0.0314% (0.18   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  20.74 +/- 4.24   0.210% *  0.1091% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  17.50 +/- 2.36   0.187% *  0.0963% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  20.42 +/- 3.03   0.121% *  0.1466% (0.85   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  17.85 +/- 3.76   0.254% *  0.0245% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 52.4:
          QG2   ILE  119 - HN    ALA  120   3.45 +/- 0.33  89.286% * 96.6799% (0.49   5.74  52.42) =  99.939%  kept
          QD2   LEU   40 - HN    ALA  120  14.39 +/- 4.38   3.036% *  0.4892% (0.71   0.02   0.02) =   0.017%
          QD1   LEU   67 - HN    ALA  120  14.33 +/- 3.36   2.421% *  0.5126% (0.74   0.02   0.02) =   0.014%
          QG2   ILE  103 - HN    ALA  120  13.32 +/- 3.28   2.079% *  0.5741% (0.83   0.02   0.02) =   0.014%
          QD1   ILE  103 - HN    ALA  120  16.11 +/- 2.92   1.092% *  0.4649% (0.67   0.02   0.02) =   0.006%
          QD2   LEU   71 - HN    ALA  120  17.86 +/- 3.03   0.819% *  0.5347% (0.77   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HN    ALA  120  20.49 +/- 3.38   0.567% *  0.6178% (0.89   0.02   0.02) =   0.004%
          HB    VAL   75 - HN    ALA  120  17.93 +/- 1.91   0.700% *  0.1267% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.251, support = 2.78, residual support = 15.4:
      O   QB    SER  117 - HN    SER  117   2.17 +/- 0.09  94.417% * 88.2951% (0.25  10.0   2.79  15.39) =  99.722%  kept
          HA    ALA  120 - HN    SER  117   7.54 +/- 0.44   2.360% *  9.5692% (0.95   1.0   0.57   5.15) =   0.270%  kept
          HA    LYS+ 121 - HN    SER  117   9.16 +/- 0.79   1.433% *  0.2005% (0.57   1.0   0.02   0.02) =   0.003%
          QB    SER   48 - HN    SER  117  19.12 +/- 3.61   0.484% *  0.2706% (0.76   1.0   0.02   0.02) =   0.002%
          HB    THR   94 - HN    SER  117  14.45 +/- 1.02   0.346% *  0.2291% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    SER  117  18.97 +/- 1.67   0.155% *  0.3269% (0.92   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    SER  117  21.81 +/- 2.51   0.114% *  0.3417% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  16.60 +/- 2.39   0.266% *  0.1208% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  18.63 +/- 2.16   0.173% *  0.1724% (0.49   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  26.32 +/- 2.97   0.061% *  0.3417% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  21.27 +/- 2.75   0.121% *  0.0620% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  27.70 +/- 4.32   0.068% *  0.0701% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.383, support = 5.18, residual support = 28.2:
          HG3   GLN  116 - HN    SER  117   4.79 +/- 0.56  40.413% * 69.0580% (0.49   5.06  28.17) =  63.974%  kept
          HG2   GLN  116 - HN    SER  117   4.35 +/- 1.19  52.459% * 29.9344% (0.20   5.39  28.17) =  35.996%  kept
          HB3   PHE   95 - HN    SER  117  10.35 +/- 1.67   5.947% *  0.1399% (0.25   0.02   0.02) =   0.019%
          HB3   TRP   87 - HN    SER  117  18.60 +/- 2.22   0.911% *  0.3177% (0.57   0.02   0.02) =   0.007%
          HG2   GLU-  25 - HN    SER  117  29.72 +/- 4.06   0.270% *  0.5500% (0.98   0.02   0.02) =   0.003%
    Distance limit 4.22 A violated in 0 structures by 0.18 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.91, residual support = 28.2:
          HB2   GLN  116 - HN    SER  117   3.27 +/- 0.38  91.362% * 98.7773% (0.97   4.91  28.17) =  99.969%  kept
          HB2   PRO   58 - HN    SER  117  11.04 +/- 2.38   6.113% *  0.3029% (0.73   0.02   0.02) =   0.021%
          HB3   PHE   97 - HN    SER  117  13.96 +/- 3.07   1.869% *  0.4171% (1.00   0.02   0.02) =   0.009%
          HB2   GLU- 100 - HN    SER  117  24.52 +/- 3.48   0.289% *  0.3741% (0.90   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    SER  117  21.63 +/- 2.19   0.367% *  0.1287% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.13 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 6.89, residual support = 112.7:
          HG2   GLN  116 - HN    GLN  116   3.29 +/- 0.48  94.193% * 92.9563% (0.73   6.92 113.21) =  99.572%  kept
          HB3   PHE   95 - HN    GLN  116   9.63 +/- 1.34   5.549% *  6.7750% (0.80   0.46   0.02) =   0.428%  kept
          HG2   GLU-  25 - HN    GLN  116  28.87 +/- 4.23   0.258% *  0.2687% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.05 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.52, residual support = 113.2:
      O   HB2   GLN  116 - HN    GLN  116   2.15 +/- 0.10  93.913% * 99.6757% (0.98  10.0   7.52 113.21) =  99.997%  kept
          HB2   PRO   58 - HN    GLN  116   9.79 +/- 2.45   5.453% *  0.0456% (0.45   1.0   0.02   0.02) =   0.003%
          HB3   PHE   97 - HN    GLN  116  14.36 +/- 2.22   0.379% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  20.50 +/- 2.07   0.127% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  25.07 +/- 2.39   0.065% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  26.29 +/- 3.54   0.063% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.778, support = 7.03, residual support = 82.8:
          HB2   LEU  115 - HN    GLN  116   3.64 +/- 0.47  54.620% * 64.4430% (0.80   7.59 102.50) =  80.422%  kept
          QB    GLU- 114 - HN    GLN  116   4.94 +/- 0.32  24.621% * 34.7222% (0.69   4.77   1.99) =  19.533%  kept
          HG3   PRO   58 - HN    GLN  116   9.61 +/- 2.54   7.832% *  0.1772% (0.84   0.02   0.02) =   0.032%
          HB2   LYS+ 111 - HN    GLN  116   7.17 +/- 1.11  10.515% *  0.0327% (0.15   0.02   0.02) =   0.008%
          HG2   PRO   68 - HN    GLN  116  20.84 +/- 4.45   0.521% *  0.1772% (0.84   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    GLN  116  22.00 +/- 2.82   0.340% *  0.1621% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLN  116  18.30 +/- 2.61   0.604% *  0.0872% (0.41   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLN  116  20.88 +/- 2.40   0.339% *  0.0420% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  28.39 +/- 4.11   0.174% *  0.0724% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  24.32 +/- 2.53   0.230% *  0.0420% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  25.20 +/- 2.54   0.204% *  0.0420% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.22 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.844, support = 8.49, residual support = 101.3:
          HG    LEU  115 - HN    GLN  116   3.22 +/- 1.03  54.324% * 39.1536% (0.73   8.56 102.50) =  52.492%  kept
          HB3   LEU  115 - HN    GLN  116   3.87 +/- 0.59  35.466% * 52.9794% (0.98   8.59 102.50) =  46.371%  kept
          QB    ALA  120 - HN    GLN  116   6.78 +/- 0.73   6.259% *  7.3233% (0.73   1.60   0.15) =   1.131%  kept
          QG    LYS+  66 - HN    GLN  116  14.77 +/- 3.45   1.566% *  0.0473% (0.38   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    GLN  116  18.85 +/- 3.25   0.487% *  0.1259% (1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    GLN  116  18.97 +/- 2.82   0.482% *  0.1234% (0.98   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    GLN  116  20.50 +/- 3.21   0.451% *  0.0613% (0.49   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    GLN  116  19.69 +/- 3.97   0.349% *  0.0713% (0.57   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN  116  18.17 +/- 3.39   0.476% *  0.0280% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  23.73 +/- 2.42   0.141% *  0.0865% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.83, residual support = 102.5:
          QD1   LEU  115 - HN    GLN  116   4.17 +/- 0.39  97.164% * 99.6408% (0.49   7.83 102.50) =  99.989%  kept
          QG1   VAL   75 - HN    GLN  116  14.31 +/- 1.74   2.836% *  0.3592% (0.69   0.02   0.02) =   0.011%
    Distance limit 4.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.2, residual support = 102.5:
          QD2   LEU  115 - HN    GLN  116   2.65 +/- 0.66  86.072% * 98.6179% (0.57  10.21 102.50) =  99.956%  kept
          QD1   LEU   63 - HN    GLN  116  10.89 +/- 2.85   6.658% *  0.3060% (0.90   0.02   0.02) =   0.024%
          QD2   LEU   63 - HN    GLN  116  11.22 +/- 3.22   3.860% *  0.2850% (0.84   0.02   0.02) =   0.013%
          QD1   LEU   73 - HN    GLN  116  16.65 +/- 3.48   1.140% *  0.3060% (0.90   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    GLN  116  15.04 +/- 2.47   0.698% *  0.1053% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN  116  19.88 +/- 2.36   0.294% *  0.1795% (0.53   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    GLN  116  17.39 +/- 1.52   0.450% *  0.0949% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    GLN  116  16.46 +/- 1.58   0.519% *  0.0526% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  19.63 +/- 2.49   0.310% *  0.0526% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.717, support = 2.12, residual support = 15.6:
          QD1   ILE  119 - HN    GLN  116   4.39 +/- 0.87  60.733% * 92.5375% (0.73   2.17  16.02) =  97.099%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.04 +/- 1.02  30.592% *  5.1596% (0.38   0.23   0.02) =   2.727%  kept
          QG2   VAL  108 - HN    GLN  116  10.02 +/- 1.30   6.835% *  1.1719% (1.00   0.02   0.02) =   0.138%  kept
          HB2   LEU  104 - HN    GLN  116  16.10 +/- 2.81   1.839% *  1.1310% (0.97   0.02   0.02) =   0.036%
    Distance limit 4.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.746, residual support = 2.13:
          HA    LYS+ 112 - HN    LEU  115   3.10 +/- 0.32  96.520% * 63.2164% (0.90   0.75   2.15) =  99.051%  kept
          HB2   HIS  122 - HN    LEU  115  13.26 +/- 0.98   1.573% * 35.0978% (1.00   0.37   0.02) =   0.896%  kept
          HB    THR   46 - HN    LEU  115  13.02 +/- 2.51   1.907% *  1.6858% (0.90   0.02   0.02) =   0.052%
    Distance limit 4.36 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 = 0.264, support = 4.84, residual support = 95.0:
          HB2   GLN  116 - HN    LEU  115   4.60 +/- 0.15  74.321% * 66.1940% (0.22   5.16 102.50) =  92.722%  kept
          HB2   PRO   58 - HN    LEU  115  11.03 +/- 2.40  11.948% * 31.7970% (0.80   0.69   0.02) =   7.160%  kept
          HG2   PRO   52 - HN    LEU  115  12.22 +/- 2.42   8.533% *  0.5162% (0.45   0.02   0.02) =   0.083%
          HB3   PHE   97 - HN    LEU  115  13.79 +/- 2.01   3.432% *  0.3927% (0.34   0.02   0.02) =   0.025%
          HG3   GLU-  25 - HN    LEU  115  29.44 +/- 3.90   0.359% *  0.7448% (0.65   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HN    LEU  115  20.67 +/- 1.80   0.892% *  0.1776% (0.15   0.02   0.02) =   0.003%
          HB2   GLU- 100 - HN    LEU  115  24.64 +/- 1.91   0.516% *  0.1776% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.26 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.789, support = 7.19, residual support = 205.9:
      O   HB2   LEU  115 - HN    LEU  115   2.32 +/- 0.26  61.095% * 79.4687% (0.80  10.0   7.36 226.06) =  90.155%  kept
          QB    GLU- 114 - HN    LEU  115   3.22 +/- 0.38  27.427% * 19.2465% (0.69   1.0   5.65  21.60) =   9.802%  kept
          HG3   PRO   58 - HN    LEU  115  10.86 +/- 2.52   2.214% *  0.9772% (0.84   1.0   0.24   0.02) =   0.040%
          HB2   LYS+ 111 - HN    LEU  115   5.42 +/- 1.24   8.611% *  0.0153% (0.15   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    LEU  115  21.39 +/- 4.41   0.134% *  0.0829% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  18.57 +/- 2.98   0.187% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  22.16 +/- 2.39   0.081% *  0.0758% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  21.19 +/- 2.44   0.095% *  0.0196% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  28.11 +/- 3.63   0.043% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  24.78 +/- 2.69   0.062% *  0.0196% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  25.70 +/- 2.30   0.050% *  0.0196% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 0.92, support = 7.52, residual support = 226.0:
      O   HB3   LEU  115 - HN    LEU  115   3.20 +/- 0.41  44.576% * 78.0423% (0.98  10.0   7.54 226.06) =  76.417%  kept
          HG    LEU  115 - HN    LEU  115   3.17 +/- 0.94  49.793% * 21.5561% (0.73   1.0   7.46 226.06) =  23.578%  kept
          QB    ALA  120 - HN    LEU  115   8.37 +/- 0.53   2.109% *  0.0578% (0.73   1.0   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    LEU  115  15.25 +/- 3.48   1.697% *  0.0299% (0.38   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    LEU  115  19.11 +/- 3.64   0.472% *  0.0796% (1.00   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LEU  115  18.96 +/- 2.29   0.182% *  0.0780% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.52 +/- 3.85   0.296% *  0.0451% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  18.48 +/- 3.68   0.622% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  23.04 +/- 2.14   0.107% *  0.0547% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  20.50 +/- 2.60   0.146% *  0.0388% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.524, support = 1.37, residual support = 6.78:
          QG2   VAL  107 - HN    LEU  115   4.76 +/- 1.79  50.424% * 44.8555% (0.53   1.50   6.62) =  72.628%  kept
          HG13  ILE  119 - HN    LEU  115   7.13 +/- 1.02  12.680% * 43.0497% (0.73   1.04  10.06) =  17.529%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.00 +/- 1.36  33.272% *  9.1308% (0.15   1.04   2.15) =   9.755%  kept
          HG2   LYS+ 121 - HN    LEU  115  12.72 +/- 1.22   1.807% *  0.8702% (0.76   0.02   0.02) =   0.050%
          QB    ALA   20 - HN    LEU  115  19.29 +/- 2.63   0.659% *  1.1361% (1.00   0.02   0.02) =   0.024%
          HB3   LEU   31 - HN    LEU  115  23.43 +/- 3.38   0.330% *  0.7821% (0.69   0.02   0.02) =   0.008%
          HG13  ILE  103 - HN    LEU  115  16.90 +/- 1.59   0.827% *  0.1757% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.90 A violated in 0 structures by 0.14 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 8.99, residual support = 226.0:
          QD2   LEU  115 - HN    LEU  115   3.62 +/- 0.62  80.557% * 98.8144% (0.65   8.99 226.06) =  99.965%  kept
          QD1   LEU   63 - HN    LEU  115  11.11 +/- 3.10  10.095% *  0.1049% (0.31   0.02   0.02) =   0.013%
          QG1   VAL   83 - HN    LEU  115  17.14 +/- 2.24   1.379% *  0.3215% (0.95   0.02   0.02) =   0.006%
          QD1   LEU  104 - HN    LEU  115  14.87 +/- 2.17   1.395% *  0.3048% (0.90   0.02   0.02) =   0.005%
          QG2   ILE   89 - HN    LEU  115  11.73 +/- 1.68   3.172% *  0.1159% (0.34   0.02   0.02) =   0.005%
          QD1   LEU   73 - HN    LEU  115  16.43 +/- 3.40   2.613% *  0.1049% (0.31   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    LEU  115  18.90 +/- 2.18   0.788% *  0.2335% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.41, residual support = 226.0:
          QD1   LEU  115 - HN    LEU  115   3.70 +/- 0.38  97.541% * 99.6821% (0.80   7.41 226.06) =  99.992%  kept
          QG1   VAL   75 - HN    LEU  115  13.62 +/- 1.82   2.459% *  0.3179% (0.95   0.02   0.02) =   0.008%
    Distance limit 4.57 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 = 0.589, support = 6.8, residual support = 139.0:
      O   HB    ILE  103 - HN    ILE  103   2.35 +/- 0.29  60.513% * 64.9927% (0.53  10.0   6.76 139.04) =  77.113%  kept
          HG12  ILE  103 - HN    ILE  103   3.10 +/- 0.58  34.036% * 34.2884% (0.80   1.0   6.93 139.04) =  22.882%  kept
          HB    VAL   41 - HN    ILE  103  11.32 +/- 3.50   0.952% *  0.0799% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ILE  103   8.92 +/- 0.62   1.148% *  0.0554% (0.45   1.0   0.02   3.49) =   0.001%
          QB    LYS+ 106 - HN    ILE  103   8.01 +/- 1.19   1.777% *  0.0244% (0.20   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    ILE  103  18.45 +/- 3.74   0.353% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  21.68 +/- 4.49   0.143% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  21.28 +/- 4.26   0.165% *  0.0699% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  17.44 +/- 3.65   0.259% *  0.0421% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.25 +/- 2.92   0.073% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  18.59 +/- 3.55   0.266% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  18.61 +/- 2.63   0.144% *  0.0343% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  26.07 +/- 3.65   0.058% *  0.0601% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  19.68 +/- 1.71   0.115% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 6.25, residual support = 139.0:
          HG13  ILE  103 - HN    ILE  103   3.76 +/- 0.48  84.973% * 98.5494% (0.65   6.25 139.04) =  99.945%  kept
          QB    ALA   20 - HN    ILE  103  18.57 +/- 4.65   5.385% *  0.3153% (0.65   0.02   0.02) =   0.020%
          QG2   VAL  107 - HN    ILE  103  12.27 +/- 0.97   2.900% *  0.4831% (0.99   0.02   0.02) =   0.017%
          HG2   LYS+ 121 - HN    ILE  103  16.06 +/- 7.13   2.432% *  0.4704% (0.97   0.02   0.02) =   0.014%
          HB3   LEU   31 - HN    ILE  103  15.13 +/- 4.93   3.490% *  0.0854% (0.18   0.02   0.02) =   0.004%
          HG13  ILE  119 - HN    ILE  103  19.20 +/- 3.11   0.821% *  0.0965% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.06 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.754, support = 6.13, residual support = 139.0:
          QG2   ILE  103 - HN    ILE  103   3.67 +/- 0.11  31.043% * 71.1245% (1.00   6.49 139.04) =  55.400%  kept
          QD1   ILE  103 - HN    ILE  103   2.69 +/- 0.75  63.542% * 27.9591% (0.45   5.69 139.04) =  44.577%  kept
          QD2   LEU   40 - HN    ILE  103  10.03 +/- 3.15   2.170% *  0.2115% (0.97   0.02   0.02) =   0.012%
          HG3   LYS+  74 - HN    ILE  103  19.46 +/- 4.30   0.712% *  0.2148% (0.98   0.02   0.02) =   0.004%
          QD1   LEU   67 - HN    ILE  103  14.84 +/- 2.57   0.538% *  0.2148% (0.98   0.02   0.02) =   0.003%
          QD2   LEU   71 - HN    ILE  103  15.75 +/- 2.76   0.679% *  0.1241% (0.57   0.02   0.02) =   0.002%
          HB    VAL   75 - HN    ILE  103  16.21 +/- 2.48   0.749% *  0.0901% (0.41   0.02   0.02) =   0.002%
          QG2   ILE  119 - HN    ILE  103  16.98 +/- 3.00   0.567% *  0.0609% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.78 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 = 0.461, support = 7.12, residual support = 205.8:
          HG    LEU  104 - HN    LEU  104   3.09 +/- 0.75  75.824% * 76.8197% (0.45   7.45 217.23) =  94.717%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.26 +/- 1.17  14.911% * 21.6264% (0.69   1.37   0.02) =   5.244%  kept
          HB3   LYS+ 121 - HN    LEU  104  12.42 +/- 6.55   5.595% *  0.2063% (0.45   0.02   0.02) =   0.019%
          QG    LYS+  81 - HN    LEU  104  18.51 +/- 3.31   1.289% *  0.3517% (0.76   0.02   0.02) =   0.007%
          HG2   LYS+  33 - HN    LEU  104  18.49 +/- 3.24   0.847% *  0.4562% (0.99   0.02   0.02) =   0.006%
          HD3   LYS+  74 - HN    LEU  104  18.48 +/- 2.89   0.870% *  0.2791% (0.61   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HN    LEU  104  18.64 +/- 3.25   0.664% *  0.2606% (0.57   0.02   0.02) =   0.003%
    Distance limit 3.71 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 = 0.278, support = 7.01, residual support = 134.1:
      O   HB2   LEU  104 - HN    LEU  104   2.95 +/- 0.42  34.860% * 65.9511% (0.22  10.0   7.38 217.23) =  53.250%  kept
          QG2   ILE  103 - HN    LEU  104   2.26 +/- 0.53  60.666% * 33.2602% (0.34   1.0   6.58  39.44) =  46.735%  kept
          QD2   LEU   40 - HN    LEU  104   8.16 +/- 3.61   2.915% *  0.1442% (0.49   1.0   0.02   0.02) =   0.010%
          QD1   LEU   67 - HN    LEU  104  12.56 +/- 3.17   0.762% *  0.1328% (0.45   1.0   0.02   0.02) =   0.002%
          HB    VAL   75 - HN    LEU  104  14.38 +/- 1.88   0.255% *  0.2936% (0.99   1.0   0.02   0.02) =   0.002%
          QD1   ILE  119 - HN    LEU  104  13.61 +/- 2.58   0.322% *  0.1442% (0.49   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU  104  17.91 +/- 2.98   0.220% *  0.0739% (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 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.786, support = 7.61, residual support = 190.0:
          QD2   LEU  104 - HN    LEU  104   2.53 +/- 0.75  75.106% * 65.7159% (0.80   8.03 217.23) =  86.865%  kept
          QD1   LEU   98 - HN    LEU  104   4.53 +/- 0.46  21.916% * 34.0432% (0.69   4.85   9.76) =  13.131%  kept
          QD1   ILE   19 - HN    LEU  104  15.59 +/- 2.60   0.783% *  0.1323% (0.65   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    LEU  104  14.34 +/- 2.30   0.926% *  0.0631% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU  104  15.43 +/- 3.12   1.268% *  0.0455% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.16 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 = 0.661, support = 7.65, residual support = 56.5:
          HB2   PHE   97 - HN    ASP- 105   2.38 +/- 0.54  74.928% * 72.3249% (0.69   7.80  58.74) =  93.640%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.32 +/- 0.99  17.894% * 19.3905% (0.25   5.76  24.58) =   5.996%  kept
          QE    LYS+  99 - HN    ASP- 105   8.71 +/- 1.14   2.632% *  5.9415% (0.90   0.49   0.39) =   0.270%  kept
          QE    LYS+ 102 - HN    ASP- 105   8.45 +/- 1.90   2.687% *  1.9359% (0.41   0.35   0.02) =   0.090%
          HB3   TRP   27 - HN    ASP- 105  17.46 +/- 3.36   0.841% *  0.1960% (0.73   0.02   0.02) =   0.003%
          QE    LYS+  38 - HN    ASP- 105  16.88 +/- 2.73   0.505% *  0.1746% (0.65   0.02   0.02) =   0.002%
          HB3   PHE   60 - HN    ASP- 105  15.13 +/- 2.07   0.513% *  0.0365% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 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   2.61 +/- 0.71  94.055% * 98.7287% (0.90   5.67  58.74) =  99.982%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.40 +/- 1.06   1.802% *  0.3884% (1.00   0.02   0.02) =   0.008%
          QG    GLU-  79 - HN    ASP- 105  17.19 +/- 3.98   1.669% *  0.2199% (0.57   0.02   0.02) =   0.004%
          HB2   GLN  116 - HN    ASP- 105  15.95 +/- 2.43   0.794% *  0.3808% (0.98   0.02   0.02) =   0.003%
          HB2   PRO   58 - HN    ASP- 105  16.48 +/- 4.70   1.247% *  0.1742% (0.45   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    ASP- 105  19.13 +/- 3.04   0.434% *  0.1080% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.91 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 = 42.2:
      O   HB2   ASP- 105 - HN    ASP- 105   3.67 +/- 0.25  83.781% * 99.3924% (0.80  10.0   4.71  42.19) =  99.989%  kept
          HG12  ILE  119 - HN    ASP- 105  12.97 +/- 3.82   3.181% *  0.0853% (0.69   1.0   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HN    ASP- 105  11.92 +/- 1.20   2.702% *  0.0604% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HN    ASP- 105  18.05 +/- 3.20   1.239% *  0.0703% (0.57   1.0   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ASP- 105  19.36 +/- 1.42   0.642% *  0.1241% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP- 105  13.50 +/- 2.17   2.145% *  0.0345% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    ASP- 105  21.79 +/- 2.95   0.561% *  0.1217% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    ASP- 105  12.75 +/- 1.84   2.515% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP- 105  15.17 +/- 1.89   1.364% *  0.0423% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP- 105  20.24 +/- 4.25   1.102% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  20.01 +/- 3.42   0.768% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.778, support = 4.6, residual support = 40.0:
      O   HB3   ASP- 105 - HN    ASP- 105   2.92 +/- 0.35  63.300% * 70.5855% (0.76  10.0   4.65  42.19) =  90.403%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.88 +/- 0.46  17.151% * 21.3404% (0.98   1.0   4.71  24.58) =   7.405%  kept
          HB    ILE  103 - HN    ASP- 105   5.32 +/- 0.77  14.518% *  7.4418% (0.69   1.0   2.35   3.49) =   2.186%  kept
          QB    LYS+  81 - HN    ASP- 105  18.67 +/- 3.05   0.570% *  0.0891% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP- 105  17.93 +/- 3.38   0.614% *  0.0801% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ASP- 105  17.59 +/- 2.40   0.491% *  0.0853% (0.92   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ASP- 105  16.01 +/- 2.67   0.497% *  0.0801% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  18.20 +/- 4.77   0.622% *  0.0597% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  18.51 +/- 3.58   0.314% *  0.0671% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  17.54 +/- 2.70   0.423% *  0.0486% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  17.26 +/- 4.54   0.992% *  0.0206% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  21.82 +/- 3.48   0.219% *  0.0671% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  18.36 +/- 1.31   0.290% *  0.0347% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.541, support = 5.52, residual support = 32.1:
          HG    LEU  104 - HN    ASP- 105   4.32 +/- 0.74  47.820% * 51.5328% (0.45   6.54  36.88) =  61.118%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.17 +/- 0.92  33.084% * 47.2801% (0.69   3.92  24.58) =  38.795%  kept
          HB3   LYS+ 121 - HN    ASP- 105  10.70 +/- 6.44  14.227% *  0.1576% (0.45   0.02   0.02) =   0.056%
          QG    LYS+  81 - HN    ASP- 105  18.45 +/- 3.12   1.582% *  0.2687% (0.76   0.02   0.02) =   0.011%
          HG2   LYS+  33 - HN    ASP- 105  19.35 +/- 3.29   0.992% *  0.3485% (0.99   0.02   0.02) =   0.009%
          HB3   LYS+ 111 - HN    ASP- 105  16.65 +/- 3.34   1.307% *  0.1991% (0.57   0.02   0.02) =   0.006%
          HD3   LYS+  74 - HN    ASP- 105  18.33 +/- 2.54   0.988% *  0.2132% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.272, support = 4.84, residual support = 22.9:
          HB2   LEU  104 - HN    ASP- 105   2.81 +/- 0.74  43.160% * 60.5757% (0.22   6.47  36.88) =  58.172%  kept
          QG2   ILE  103 - HN    ASP- 105   2.69 +/- 0.64  50.486% * 37.1840% (0.34   2.59   3.49) =  41.769%  kept
          QD2   LEU   40 - HN    ASP- 105   8.55 +/- 3.39   4.511% *  0.4096% (0.49   0.02   0.02) =   0.041%
          QD1   LEU   67 - HN    ASP- 105  12.32 +/- 3.27   0.909% *  0.3773% (0.45   0.02   0.02) =   0.008%
          HB    VAL   75 - HN    ASP- 105  14.14 +/- 1.78   0.281% *  0.8340% (0.99   0.02   0.02) =   0.005%
          QD1   ILE  119 - HN    ASP- 105  12.10 +/- 2.66   0.463% *  0.4096% (0.49   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HN    ASP- 105  17.81 +/- 2.61   0.189% *  0.2098% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.26 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 = 3.82, residual support = 24.5:
          HB2   ASP- 105 - HN    LYS+ 106   2.85 +/- 0.35  89.910% * 91.1360% (0.98   3.82  24.58) =  99.776%  kept
          HG12  ILE  119 - HN    LYS+ 106  11.36 +/- 3.50   2.400% *  7.0358% (0.41   0.70   0.02) =   0.206%  kept
          HB2   MET   96 - HN    LYS+ 106   8.07 +/- 0.60   4.550% *  0.1501% (0.31   0.02   2.14) =   0.008%
          HG3   MET   92 - HN    LYS+ 106  17.06 +/- 1.63   0.596% *  0.4361% (0.90   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HN    LYS+ 106  15.85 +/- 1.51   0.689% *  0.3716% (0.76   0.02   0.02) =   0.003%
          HB3   ASP-  76 - HN    LYS+ 106  18.54 +/- 2.50   0.460% *  0.4061% (0.84   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    LYS+ 106  13.38 +/- 2.37   1.215% *  0.0750% (0.15   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    LYS+ 106  24.02 +/- 2.32   0.181% *  0.3893% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.963, support = 5.25, residual support = 126.1:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.03 +/- 0.29  57.917% * 86.2961% (0.98  10.0   5.36 134.65) =  92.217%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.80 +/- 0.39  32.302% * 13.0407% (0.76   1.0   3.88  24.58) =   7.772%  kept
          HB    ILE  103 - HN    LYS+ 106   7.54 +/- 0.88   4.325% *  0.0605% (0.69   1.0   0.02   0.02) =   0.005%
          HB3   GLN   90 - HN    LYS+ 106  15.63 +/- 2.47   0.719% *  0.0813% (0.92   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LYS+ 106  14.39 +/- 2.67   0.713% *  0.0764% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LYS+ 106  18.30 +/- 2.79   0.629% *  0.0850% (0.97   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LYS+ 106  16.41 +/- 4.38   1.535% *  0.0196% (0.22   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    LYS+ 106  20.39 +/- 2.97   0.352% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  20.11 +/- 4.80   0.346% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  20.44 +/- 3.00   0.263% *  0.0639% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  15.99 +/- 1.54   0.481% *  0.0330% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  21.74 +/- 2.61   0.175% *  0.0639% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.79 +/- 2.24   0.241% *  0.0463% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 2.68, residual support = 3.28:
          QG2   THR  118 - HN    LYS+ 106   6.44 +/- 3.99 100.000% *100.0000% (0.53   2.68   3.28) = 100.000%  kept
    Distance limit 4.73 A violated in 6 structures by 2.01 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 46.0:
          HB2   PHE   95 - HN    VAL  107   2.55 +/- 0.60 100.000% *100.0000% (1.00   2.31  46.01) = 100.000%  kept
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 60.2:
      O   HB    VAL  107 - HN    VAL  107   2.48 +/- 0.29  94.460% * 99.7350% (0.99  10.0   3.33  60.17) =  99.996%  kept
          HB3   PHE   45 - HN    VAL  107   8.90 +/- 1.24   2.438% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    VAL  107  10.92 +/- 1.74   2.216% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    VAL  107  15.58 +/- 2.40   0.601% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  21.58 +/- 2.11   0.168% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  24.38 +/- 1.63   0.117% *  0.0199% (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 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.52, support = 5.02, residual support = 26.1:
          QB    LYS+ 106 - HN    VAL  107   3.10 +/- 0.29  75.929% * 84.5274% (0.53   5.10  26.64) =  97.954%  kept
          HB3   ASP- 105 - HN    VAL  107   6.35 +/- 0.64  11.297% * 11.4682% (0.25   1.46   0.02) =   1.977%  kept
          HB    ILE   56 - HN    VAL  107  11.55 +/- 2.73   2.204% *  0.5819% (0.92   0.02   0.02) =   0.020%
          HB3   PRO   58 - HN    VAL  107  14.36 +/- 3.31   1.974% *  0.4578% (0.73   0.02   0.02) =   0.014%
          HB2   MET   92 - HN    VAL  107  12.38 +/- 1.15   1.353% *  0.5654% (0.90   0.02   0.02) =   0.012%
          HB    ILE  103 - HN    VAL  107   9.75 +/- 1.07   3.006% *  0.1248% (0.20   0.02   0.02) =   0.006%
          HB3   GLN   90 - HN    VAL  107  13.04 +/- 1.98   1.430% *  0.2592% (0.41   0.02   0.02) =   0.006%
          HB3   GLN   30 - HN    VAL  107  18.80 +/- 1.39   0.384% *  0.6179% (0.98   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    VAL  107  16.04 +/- 1.60   0.711% *  0.3069% (0.49   0.02   0.02) =   0.003%
          HB3   LYS+  38 - HN    VAL  107  22.26 +/- 1.77   0.229% *  0.6248% (0.99   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    VAL  107  20.14 +/- 2.37   0.420% *  0.2150% (0.34   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    VAL  107  17.22 +/- 2.66   0.558% *  0.1404% (0.22   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    VAL  107  19.32 +/- 4.16   0.506% *  0.1104% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.00 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   3.47 +/- 0.32  84.815% * 91.2164% (0.20   4.13  60.17) =  99.718%  kept
          HG13  ILE  119 - HN    VAL  107  10.42 +/- 2.54   5.015% *  2.2107% (0.99   0.02   0.02) =   0.143%  kept
          HD3   LYS+ 112 - HN    VAL  107  12.16 +/- 1.97   3.361% *  1.3528% (0.61   0.02   0.02) =   0.059%
          HG2   LYS+ 121 - HN    VAL  107  12.28 +/- 4.66   4.232% *  0.5562% (0.25   0.02   0.02) =   0.030%
          HB3   LEU   31 - HN    VAL  107  18.10 +/- 2.95   0.737% *  2.2255% (1.00   0.02   0.02) =   0.021%
          QB    ALA   20 - HN    VAL  107  17.12 +/- 2.00   0.870% *  1.3528% (0.61   0.02   0.02) =   0.015%
          QG1   VAL   24 - HN    VAL  107  17.59 +/- 2.83   0.970% *  1.0857% (0.49   0.02   0.02) =   0.014%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.7, residual support = 65.0:
      O   HB    VAL  108 - HN    VAL  108   2.91 +/- 0.46  89.952% * 99.4150% (0.95  10.0   4.70  65.01) =  99.992%  kept
          HB2   PRO   93 - HN    VAL  108   9.75 +/- 2.05   3.426% *  0.0994% (0.95   1.0   0.02   0.02) =   0.004%
          HB    ILE  119 - HN    VAL  108  12.31 +/- 2.74   2.057% *  0.0803% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    VAL  108  17.82 +/- 2.50   0.717% *  0.1030% (0.98   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    VAL  108  14.30 +/- 3.43   1.525% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  22.14 +/- 1.61   0.270% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.20 +/- 1.01   0.291% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  15.67 +/- 2.90   1.051% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  23.06 +/- 1.77   0.241% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  23.56 +/- 3.72   0.276% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  28.86 +/- 3.69   0.127% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  37.18 +/- 5.13   0.068% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.63, residual support = 19.6:
          QG2   VAL  107 - HN    VAL  108   3.66 +/- 0.43  86.092% * 92.9859% (0.28   3.64  19.65) =  99.809%  kept
          HG13  ILE  119 - HN    VAL  108  11.83 +/- 2.35   3.962% *  1.7398% (0.95   0.02   0.02) =   0.086%
          HG2   LYS+ 121 - HN    VAL  108  13.62 +/- 4.34   4.236% *  0.8952% (0.49   0.02   0.02) =   0.047%
          HD3   LYS+ 112 - HN    VAL  108  12.09 +/- 1.54   3.759% *  0.6274% (0.34   0.02   0.02) =   0.029%
          QB    ALA   20 - HN    VAL  108  19.90 +/- 1.98   0.603% *  1.5954% (0.87   0.02   0.02) =   0.012%
          HB3   LEU   31 - HN    VAL  108  21.53 +/- 3.13   0.538% *  1.6978% (0.92   0.02   0.02) =   0.011%
          QG1   VAL   24 - HN    VAL  108  19.96 +/- 3.23   0.810% *  0.4586% (0.25   0.02   0.02) =   0.005%
    Distance limit 3.67 A violated in 0 structures by 0.18 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.65, residual support = 19.6:
          QG1   VAL  107 - HN    VAL  108   3.47 +/- 0.44  93.723% * 95.7583% (0.25   4.66  19.65) =  99.910%  kept
          HG3   LYS+ 112 - HN    VAL  108  11.15 +/- 0.95   3.363% *  1.0004% (0.61   0.02   0.02) =   0.037%
          HG    LEU   63 - HN    VAL  108  15.04 +/- 3.28   2.105% *  1.5918% (0.97   0.02   0.02) =   0.037%
          QG2   VAL   24 - HN    VAL  108  19.00 +/- 3.29   0.809% *  1.6495% (1.00   0.02   0.02) =   0.015%
    Distance limit 3.53 A violated in 0 structures by 0.16 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.5:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.02  97.913% * 99.6957% (0.69  10.0   4.64  26.47) =  99.998%  kept
          HA    ALA   61 - HN    ASP-  76  11.34 +/- 2.63   1.392% *  0.0997% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    ASP-  76  16.10 +/- 3.03   0.399% *  0.1340% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    ASP-  76  16.72 +/- 2.06   0.295% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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   2.73 +/- 0.35  90.630% * 96.3593% (1.00  10.0   3.67  35.71) =  99.763%  kept
          HB2   ASP-  78 - HN    ASP-  76   7.13 +/- 0.58   5.928% *  3.4885% (0.73   1.0   1.00   4.59) =   0.236%  kept
          HB2   ASN   69 - HN    ASP-  76  18.76 +/- 2.10   0.391% *  0.0945% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  15.25 +/- 3.13   1.097% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  15.77 +/- 2.57   0.867% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  14.91 +/- 3.03   1.087% *  0.0149% (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 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.279, support = 3.69, residual support = 35.4:
      O   HB3   ASP-  76 - HN    ASP-  76   3.09 +/- 0.52  76.338% * 94.0245% (0.28  10.0   3.71  35.71) =  99.133%  kept
          HB2   ASP-  44 - HN    ASP-  76   7.80 +/- 2.01  14.783% *  4.1123% (0.45   1.0   0.54   0.02) =   0.840%  kept
          HB3   PHE   72 - HN    ASP-  76  11.03 +/- 1.12   2.119% *  0.1915% (0.57   1.0   0.02   0.02) =   0.006%
          HG3   MET   92 - HN    ASP-  76  14.28 +/- 3.65   1.376% *  0.2933% (0.87   1.0   0.02   0.02) =   0.006%
          QG    GLN   90 - HN    ASP-  76  12.80 +/- 2.66   1.727% *  0.2188% (0.65   1.0   0.02   0.02) =   0.005%
          HB2   GLU-  29 - HN    ASP-  76  15.82 +/- 2.99   0.822% *  0.3199% (0.95   1.0   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    ASP-  76  17.15 +/- 2.08   0.571% *  0.3199% (0.95   1.0   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    ASP-  76  16.51 +/- 3.32   0.768% *  0.1646% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    ASP-  76  16.95 +/- 2.80   0.608% *  0.1646% (0.49   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  76  17.67 +/- 3.94   0.560% *  0.1154% (0.34   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP-  76  20.51 +/- 2.94   0.326% *  0.0753% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.5:
          QG1   VAL   75 - HN    ASP-  76   2.99 +/- 0.25  98.511% * 99.7155% (0.69   4.97  26.47) =  99.996%  kept
          QD1   LEU  115 - HN    ASP-  76  12.99 +/- 1.57   1.489% *  0.2845% (0.49   0.02   0.02) =   0.004%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 26.5:
          QG2   VAL   75 - HN    ASP-  76   3.81 +/- 0.38  92.482% * 99.6072% (0.98   4.64  26.47) =  99.968%  kept
          QG2   VAL   42 - HN    ASP-  76   9.88 +/- 1.47   7.518% *  0.3928% (0.90   0.02   0.02) =   0.032%
    Distance limit 4.44 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 = 9.33:
      O   HA2   GLY  109 - HN    GLY  109   2.72 +/- 0.24  94.761% * 99.3336% (0.43  10.0   2.20   9.33) =  99.992%  kept
          HA    THR  118 - HN    GLY  109  11.86 +/- 2.11   1.790% *  0.1522% (0.65   1.0   0.02   0.02) =   0.003%
          HA    ALA   84 - HN    GLY  109  12.76 +/- 2.76   1.268% *  0.1341% (0.58   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    GLY  109  13.87 +/- 1.97   0.947% *  0.1693% (0.73   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    GLY  109  16.76 +/- 4.20   0.748% *  0.1620% (0.70   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    GLY  109  16.71 +/- 2.20   0.487% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.54, support = 0.127, residual support = 0.02:
          HG3   LYS+ 111 - HN    GLY  109   7.12 +/- 1.74  44.217% *  5.6398% (0.70   0.02   0.02) =  32.323%  kept
          HG2   LYS+  74 - HN    GLY  109  18.61 +/- 2.48   2.739% * 69.3047% (0.46   0.37   0.02) =  24.602%  kept
          HG12  ILE   89 - HN    GLY  109   9.82 +/- 2.96  30.125% *  5.8961% (0.73   0.02   0.02) =  23.022%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.16 +/- 1.89  17.630% *  7.9318% (0.15   0.13   0.02) =  18.126%  kept
          HG3   LYS+  99 - HN    GLY  109  21.52 +/- 1.39   1.607% *  3.4589% (0.43   0.02   0.02) =   0.721%  kept
          HG    LEU   71 - HN    GLY  109  24.19 +/- 2.78   1.139% *  3.9523% (0.49   0.02   0.02) =   0.584%  kept
          HG13  ILE   19 - HN    GLY  109  24.38 +/- 2.47   1.203% *  2.2930% (0.28   0.02   0.02) =   0.357%  kept
          HB3   LEU   71 - HN    GLY  109  23.34 +/- 3.00   1.341% *  1.5234% (0.19   0.02   0.02) =   0.265%  kept
    Distance limit 4.66 A violated in 10 structures by 1.62 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.41:
          QG1   VAL  108 - HN    GLY  109   2.58 +/- 0.34  97.549% * 98.9380% (0.65   3.09   7.42) =  99.991%  kept
          QD2   LEU   67 - HN    GLY  109  17.76 +/- 3.48   1.224% *  0.3034% (0.31   0.02   0.02) =   0.004%
          QD1   LEU   40 - HN    GLY  109  16.24 +/- 1.51   0.552% *  0.5069% (0.52   0.02   0.02) =   0.003%
          HB3   LEU   63 - HN    GLY  109  16.63 +/- 3.25   0.675% *  0.2517% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.07 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   2.84 +/- 0.36  94.143% * 99.3336% (0.57  10.0   2.20   6.40) =  99.991%  kept
          HA    THR  118 - HN    ALA  110  11.91 +/- 1.94   1.883% *  0.1522% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    ALA  110  16.98 +/- 4.02   1.293% *  0.1620% (0.92   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    ALA  110  13.81 +/- 1.93   1.137% *  0.1693% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    ALA  110  14.82 +/- 2.76   0.937% *  0.1341% (0.76   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  110  18.08 +/- 2.84   0.607% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.271, support = 0.669, residual support = 5.12:
          HG2   PRO   93 - HN    ALA  110   7.31 +/- 3.94  32.088% * 54.6666% (0.22   0.75   5.76) =  88.962%  kept
          HB3   PRO   52 - HN    ALA  110  12.06 +/- 4.32  12.366% *  6.4182% (0.98   0.02   0.02) =   4.025%  kept
          HB3   GLN   90 - HN    ALA  110  12.34 +/- 3.90  12.523% *  1.8205% (0.28   0.02   0.02) =   1.156%  kept
          QB    LYS+  66 - HN    ALA  110  18.48 +/- 3.85   6.910% *  2.9356% (0.45   0.02   0.02) =   1.029%  kept
          QB    LYS+ 106 - HN    ALA  110   9.33 +/- 1.20  15.580% *  1.2958% (0.20   0.02   0.02) =   1.024%  kept
          HG    LEU  123 - HN    ALA  110  18.02 +/- 2.02   2.275% *  6.4182% (0.98   0.02   0.02) =   0.740%  kept
          HB3   ASP- 105 - HN    ALA  110  14.02 +/- 1.51   4.315% *  2.9356% (0.45   0.02   0.02) =   0.642%  kept
          HG12  ILE  103 - HN    ALA  110  17.53 +/- 1.55   2.222% *  5.2431% (0.80   0.02   0.02) =   0.591%  kept
          HG2   ARG+  54 - HN    ALA  110  16.38 +/- 3.29   3.261% *  3.1872% (0.49   0.02   0.02) =   0.527%  kept
          HB    ILE  103 - HN    ALA  110  17.31 +/- 1.28   2.384% *  3.4450% (0.53   0.02   0.02) =   0.417%  kept
          HG3   PRO   68 - HN    ALA  110  24.68 +/- 4.81   1.857% *  3.7071% (0.57   0.02   0.02) =   0.349%  kept
          HB    VAL   41 - HN    ALA  110  20.51 +/- 2.26   1.398% *  4.2358% (0.65   0.02   0.02) =   0.300%  kept
          QB    LYS+  81 - HN    ALA  110  17.37 +/- 2.94   2.109% *  1.4578% (0.22   0.02   0.02) =   0.156%  kept
          QB    LYS+  33 - HN    ALA  110  26.03 +/- 3.29   0.712% *  2.2335% (0.34   0.02   0.02) =   0.081%
    Distance limit 4.42 A violated in 10 structures by 1.59 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   2.71 +/- 0.28  88.538% * 98.9553% (0.69  10.0   2.12   9.58) =  99.988%  kept
          QG    LYS+  66 - HN    ALA  110  18.29 +/- 4.15   2.622% *  0.1428% (0.99   1.0   0.02   0.02) =   0.004%
          HB3   LEU  115 - HN    ALA  110   8.10 +/- 1.63   5.731% *  0.0592% (0.41   1.0   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    ALA  110  14.61 +/- 2.11   0.770% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA  110  21.33 +/- 4.45   0.414% *  0.1412% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    ALA  110  21.23 +/- 4.01   0.376% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ALA  110  20.61 +/- 3.16   0.262% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  21.85 +/- 4.58   0.446% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  23.33 +/- 1.47   0.151% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  21.04 +/- 2.56   0.235% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  25.53 +/- 3.17   0.133% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  19.44 +/- 2.82   0.320% *  0.0321% (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 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   2.95 +/- 0.61  58.315% * 99.3619% (1.00  10.0   7.06 315.14) =  99.963%  kept
          QB    GLU- 114 - HN    LYS+ 111   3.62 +/- 0.80  38.878% *  0.0524% (0.53   1.0   0.02   1.72) =   0.035%
          HB    ILE  119 - HN    LYS+ 111  11.95 +/- 1.26   1.424% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    LYS+ 111  25.79 +/- 4.69   0.247% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  24.68 +/- 5.16   0.377% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  27.80 +/- 3.51   0.107% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  28.43 +/- 2.69   0.087% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  26.06 +/- 3.38   0.126% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  29.86 +/- 3.64   0.075% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  24.85 +/- 2.65   0.133% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  25.41 +/- 3.08   0.129% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  27.32 +/- 2.19   0.103% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 315.1:
      O   HB3   LYS+ 111 - HN    LYS+ 111   3.00 +/- 0.59  94.877% * 99.4649% (0.92  10.0   5.50 315.14) =  99.996%  kept
          QD    LYS+  66 - HN    LYS+ 111  19.39 +/- 4.32   1.701% *  0.0863% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - HN    LYS+ 111  14.84 +/- 1.23   0.966% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+ 111  15.07 +/- 2.17   0.960% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  19.96 +/- 2.61   0.366% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  21.43 +/- 3.53   0.368% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  21.35 +/- 2.77   0.324% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  23.20 +/- 2.83   0.282% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  28.67 +/- 4.02   0.157% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.14 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.916, support = 6.52, residual support = 312.4:
          HG3   LYS+ 111 - HN    LYS+ 111   3.29 +/- 0.24  90.729% * 86.9352% (0.92   6.55 315.14) =  99.029%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   8.23 +/- 0.69   6.349% * 12.0840% (0.20   4.25  28.70) =   0.963%  kept
          HG12  ILE   89 - HN    LYS+ 111  14.11 +/- 2.22   1.459% *  0.2776% (0.97   0.02   0.02) =   0.005%
          HG2   LYS+  74 - HN    LYS+ 111  20.37 +/- 3.24   0.492% *  0.1745% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    LYS+ 111  24.02 +/- 2.96   0.259% *  0.1629% (0.57   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    LYS+ 111  25.86 +/- 4.10   0.225% *  0.1861% (0.65   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    LYS+ 111  25.81 +/- 3.33   0.208% *  0.1080% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  25.04 +/- 4.23   0.279% *  0.0717% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.734, support = 0.02, residual support = 0.02:
          QD1   ILE   56 - HN    LYS+ 111   9.22 +/- 3.60  51.077% * 26.3685% (0.76   0.02   0.02) =  58.753%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  16.18 +/- 1.53  14.724% * 33.2982% (0.97   0.02   0.02) =  21.387%  kept
          QD2   LEU  123 - HN    LYS+ 111  14.71 +/- 1.17  20.135% * 11.7694% (0.34   0.02   0.02) =  10.338%  kept
          QD2   LEU   73 - HN    LYS+ 111  17.81 +/- 3.22  10.499% * 16.7946% (0.49   0.02   0.02) =   7.692%  kept
          HG    LEU   31 - HN    LYS+ 111  24.91 +/- 3.23   3.565% * 11.7694% (0.34   0.02   0.02) =   1.830%  kept
    Distance limit 3.88 A violated in 15 structures by 4.70 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 = 237.9:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.78 +/- 0.06  96.067% * 99.8622% (0.87  10.0   5.76 237.94) =  99.998%  kept
          HB    THR   46 - HN    LYS+ 112  12.71 +/- 3.59   3.273% *  0.0393% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    LYS+ 112  17.10 +/- 1.05   0.432% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  25.56 +/- 5.36   0.227% *  0.0287% (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 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.866, support = 7.03, residual support = 28.6:
          HB2   LYS+ 111 - HN    LYS+ 112   3.52 +/- 0.37  69.549% * 97.3634% (0.87   7.05  28.70) =  99.802%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.53 +/- 0.52  21.065% *  0.5824% (0.28   0.13   3.01) =   0.181%  kept
          HB    ILE  119 - HN    LYS+ 112  10.98 +/- 0.98   2.889% *  0.1551% (0.49   0.02   0.02) =   0.007%
          HB    VAL  108 - HN    LYS+ 112  11.59 +/- 1.02   2.112% *  0.0886% (0.28   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    LYS+ 112  12.74 +/- 2.89   2.323% *  0.0709% (0.22   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    LYS+ 112  24.51 +/- 4.20   0.282% *  0.3186% (1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    LYS+ 112  25.39 +/- 4.10   0.257% *  0.2551% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    LYS+ 112  26.40 +/- 3.58   0.208% *  0.2551% (0.80   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    LYS+ 112  27.41 +/- 2.83   0.163% *  0.2551% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    LYS+ 112  24.91 +/- 3.63   0.237% *  0.1551% (0.49   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+ 112  29.39 +/- 4.48   0.140% *  0.1933% (0.61   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.18 +/- 2.11   0.144% *  0.1804% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  23.45 +/- 4.66   0.360% *  0.0558% (0.18   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.82 +/- 3.28   0.273% *  0.0709% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.73, residual support = 237.9:
      O   HB2   LYS+ 112 - HN    LYS+ 112   3.06 +/- 0.57  77.900% * 98.9690% (0.76  10.0   5.73 237.94) =  99.990%  kept
          HB3   PRO   93 - HN    LYS+ 112   8.17 +/- 2.90  16.787% *  0.0200% (0.15   1.0   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    LYS+ 112  17.99 +/- 2.99   0.772% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LYS+ 112  15.28 +/- 1.83   1.017% *  0.0838% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+ 112  19.19 +/- 2.60   0.536% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 112  18.77 +/- 2.24   0.567% *  0.0890% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LYS+ 112  20.85 +/- 3.99   0.445% *  0.1123% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LYS+ 112  20.51 +/- 3.30   0.568% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  16.64 +/- 1.67   0.584% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  28.24 +/- 4.07   0.169% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.55 +/- 1.98   0.172% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  30.16 +/- 3.62   0.107% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  21.32 +/- 3.13   0.376% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.883, support = 6.01, residual support = 237.9:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.42 +/- 0.52  74.286% * 84.2041% (0.90  10.0   5.99 237.94) =  96.613%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.74 +/- 0.59  14.029% * 15.6003% (0.49   1.0   6.83 237.94) =   3.380%  kept
          QG2   THR   94 - HN    LYS+ 112  10.07 +/- 2.02   3.196% *  0.0814% (0.87   1.0   0.02   0.02) =   0.004%
          QG2   VAL  107 - HN    LYS+ 112   6.94 +/- 1.41   8.024% *  0.0186% (0.20   1.0   0.02   0.02) =   0.002%
          HG13  ILE  103 - HN    LYS+ 112  19.43 +/- 2.55   0.226% *  0.0569% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  24.28 +/- 4.29   0.240% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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   3.80 +/- 0.62  85.214% * 98.1769% (0.34   6.23 237.94) =  99.885%  kept
          QB    ALA   47 - HN    LYS+ 112  11.06 +/- 2.60   6.734% *  0.7394% (0.80   0.02   0.02) =   0.059%
          QG1   VAL   42 - HN    LYS+ 112  13.56 +/- 2.33   5.502% *  0.6343% (0.69   0.02   0.02) =   0.042%
          QB    ALA   64 - HN    LYS+ 112  15.19 +/- 2.54   2.550% *  0.4495% (0.49   0.02   0.02) =   0.014%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 0.958, residual support = 5.34:
          QD1   ILE   56 - HN    LYS+ 112   7.48 +/- 3.26  58.981% * 94.5434% (0.76   0.97   5.39) =  99.033%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  16.96 +/- 0.86   9.725% *  2.4676% (0.97   0.02   0.02) =   0.426%  kept
          QD2   LEU  123 - HN    LYS+ 112  13.71 +/- 1.37  19.994% *  0.8722% (0.34   0.02   0.02) =   0.310%  kept
          QD2   LEU   73 - HN    LYS+ 112  17.29 +/- 3.22   8.445% *  1.2446% (0.49   0.02   0.02) =   0.187%  kept
          HG    LEU   31 - HN    LYS+ 112  24.72 +/- 3.46   2.855% *  0.8722% (0.34   0.02   0.02) =   0.044%
    Distance limit 4.03 A violated in 11 structures by 3.15 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 237.8:
          HG3   LYS+ 112 - HN    LYS+ 112   3.36 +/- 0.32  84.424% * 99.2158% (0.87   5.93 237.94) =  99.945%  kept
          HG    LEU   63 - HN    LYS+ 112  15.04 +/- 4.16  10.957% *  0.3784% (0.98   0.02   0.02) =   0.049%
          QG2   VAL  108 - HN    LYS+ 112   9.82 +/- 1.02   4.033% *  0.0596% (0.15   0.02   0.02) =   0.003%
          QG2   VAL   24 - HN    LYS+ 112  21.16 +/- 3.55   0.586% *  0.3462% (0.90   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.08 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.25, residual support = 16.2:
      O   HA    LYS+ 112 - HN    ASP- 113   3.53 +/- 0.04  94.147% * 99.8622% (0.74  10.0   5.25  16.22) =  99.997%  kept
          HB    THR   46 - HN    ASP- 113  14.39 +/- 3.62   4.484% *  0.0393% (0.29   1.0   0.02   0.02) =   0.002%
          HB2   HIS  122 - HN    ASP- 113  16.42 +/- 0.92   0.970% *  0.0698% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    ASP- 113  26.78 +/- 5.50   0.399% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 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   2.15 +/- 0.07 100.000% *100.0000% (0.82  10.0   3.46  14.38) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 3.06, residual support = 24.6:
          QG    GLU- 114 - HN    ASP- 113   4.68 +/- 0.40  74.203% * 93.9618% (0.26   3.07  24.68) =  99.651%  kept
          HG2   PRO   52 - HN    ASP- 113  12.12 +/- 3.05   7.859% *  1.5139% (0.65   0.02   0.02) =   0.170%  kept
          HB2   PRO   58 - HN    ASP- 113  12.88 +/- 2.22   6.358% *  0.9642% (0.41   0.02   0.02) =   0.088%
          HG2   MET   92 - HN    ASP- 113  12.98 +/- 3.42  10.172% *  0.4940% (0.21   0.02   0.02) =   0.072%
          HG3   GLU-  25 - HN    ASP- 113  31.74 +/- 4.67   0.343% *  1.8287% (0.79   0.02   0.02) =   0.009%
          HB2   GLU-  79 - HN    ASP- 113  22.55 +/- 2.98   0.819% *  0.7435% (0.32   0.02   0.02) =   0.009%
          HG3   GLU-  36 - HN    ASP- 113  33.32 +/- 3.93   0.246% *  0.4940% (0.21   0.02   0.02) =   0.002%
    Distance limit 4.75 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 = 0.755, support = 2.42, residual support = 8.78:
          HB2   LYS+ 111 - HN    ASP- 113   3.31 +/- 0.43  67.667% * 54.8199% (0.85   2.18   3.82) =  76.199%  kept
          QB    GLU- 114 - HN    ASP- 113   4.55 +/- 0.37  27.421% * 42.2207% (0.45   3.19  24.68) =  23.781%  kept
          HB    ILE  119 - HN    ASP- 113   9.92 +/- 0.73   2.791% *  0.1255% (0.21   0.02   0.02) =   0.007%
          HB3   PRO   68 - HN    ASP- 113  25.12 +/- 4.04   0.313% *  0.4513% (0.76   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    ASP- 113  27.28 +/- 3.05   0.191% *  0.4932% (0.84   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    ASP- 113  24.02 +/- 4.64   0.435% *  0.1888% (0.32   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    ASP- 113  26.32 +/- 4.00   0.287% *  0.2647% (0.45   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    ASP- 113  30.44 +/- 4.38   0.166% *  0.4365% (0.74   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ASP- 113  28.00 +/- 2.66   0.140% *  0.4932% (0.84   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    ASP- 113  24.75 +/- 3.05   0.221% *  0.2256% (0.38   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ASP- 113  25.83 +/- 3.49   0.239% *  0.1255% (0.21   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASP- 113  28.41 +/- 1.98   0.129% *  0.1553% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 6.02, residual support = 16.2:
          HB2   LYS+ 112 - HN    ASP- 113   3.72 +/- 0.29  75.865% * 96.6547% (0.65   6.02  16.22) =  99.960%  kept
          HB3   PRO   93 - HN    ASP- 113   9.84 +/- 2.94  17.592% *  0.0648% (0.13   0.02   0.02) =   0.016%
          HG3   LYS+ 106 - HN    ASP- 113  15.52 +/- 1.85   1.441% *  0.2718% (0.55   0.02   0.02) =   0.005%
          HB    VAL   42 - HN    ASP- 113  18.76 +/- 2.47   0.676% *  0.3879% (0.79   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    ASP- 113  20.20 +/- 2.28   0.554% *  0.3879% (0.79   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP- 113  19.23 +/- 2.00   0.681% *  0.2886% (0.59   0.02   0.02) =   0.003%
          HB3   LEU   73 - HN    ASP- 113  21.95 +/- 3.77   0.510% *  0.3645% (0.74   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    ASP- 113  15.72 +/- 1.88   1.164% *  0.1577% (0.32   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    ASP- 113  21.82 +/- 2.99   0.526% *  0.1728% (0.35   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ASP- 113  25.64 +/- 1.99   0.258% *  0.3510% (0.71   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ASP- 113  28.99 +/- 3.95   0.184% *  0.4055% (0.82   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    ASP- 113  30.82 +/- 3.44   0.153% *  0.3879% (0.79   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ASP- 113  22.94 +/- 3.00   0.396% *  0.1048% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.20 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 4.98, residual support = 16.2:
          HB3   LYS+ 112 - HN    ASP- 113   3.60 +/- 0.44  59.505% * 59.8160% (0.76   4.81  16.22) =  77.788%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.44 +/- 1.08  26.188% * 38.1356% (0.41   5.65  16.22) =  21.826%  kept
          QG2   VAL  107 - HN    ASP- 113   7.35 +/- 1.40  11.096% *  1.5257% (0.17   0.56   0.02) =   0.370%  kept
          QG2   THR   94 - HN    ASP- 113  11.19 +/- 1.72   2.583% *  0.2406% (0.74   0.02   0.02) =   0.014%
          HG13  ILE  103 - HN    ASP- 113  19.84 +/- 2.19   0.386% *  0.1682% (0.52   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    ASP- 113  25.12 +/- 3.62   0.243% *  0.1140% (0.35   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.63, residual support = 24.7:
      O   HA    ASP- 113 - HN    GLU- 114   3.58 +/- 0.04  90.967% * 99.6702% (1.00  10.0   3.63  24.68) =  99.994%  kept
          HA    ILE   56 - HN    GLU- 114  10.77 +/- 1.44   4.094% *  0.0606% (0.61   1.0   0.02   0.02) =   0.003%
          HA    PHE   59 - HN    GLU- 114  11.92 +/- 0.88   2.617% *  0.0606% (0.61   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    GLU- 114  16.41 +/- 0.55   0.956% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU- 114  22.26 +/- 1.93   0.408% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  29.09 +/- 3.07   0.190% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  18.92 +/- 2.87   0.768% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 24.7:
          QB    ASP- 113 - HN    GLU- 114   2.80 +/- 0.32  99.061% * 99.8731% (0.97   3.63  24.68) =  99.999%  kept
          HB2   ASP-  62 - HN    GLU- 114  14.32 +/- 1.48   0.939% *  0.1269% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.48, residual support = 43.0:
          QG    GLU- 114 - HN    GLU- 114   2.70 +/- 0.45  96.313% * 97.7664% (0.84   4.48  43.01) =  99.982%  kept
          HG2   PRO   52 - HN    GLU- 114  12.97 +/- 2.55   1.461% *  0.5124% (0.98   0.02   0.02) =   0.008%
          HG2   MET   92 - HN    GLU- 114  13.32 +/- 3.22   1.866% *  0.3995% (0.76   0.02   0.02) =   0.008%
          HB2   GLU-  79 - HN    GLU- 114  22.25 +/- 2.21   0.200% *  0.4688% (0.90   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    GLU- 114  31.27 +/- 3.96   0.081% *  0.4534% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  32.28 +/- 4.11   0.079% *  0.3995% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.84, support = 4.13, residual support = 39.8:
      O   QB    GLU- 114 - HN    GLU- 114   2.25 +/- 0.18  67.476% * 84.3008% (0.84  10.0   4.19  43.01) =  92.134%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.65 +/- 1.23  32.003% * 15.1745% (0.90   1.0   3.35   1.72) =   7.866%  kept
          HG2   PRO   68 - HN    GLU- 114  23.40 +/- 4.68   0.144% *  0.0693% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  24.53 +/- 3.98   0.101% *  0.0612% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  24.28 +/- 2.53   0.068% *  0.0771% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  26.92 +/- 2.85   0.052% *  0.0955% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  27.54 +/- 2.49   0.044% *  0.0955% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  29.99 +/- 3.69   0.039% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  25.66 +/- 3.71   0.074% *  0.0252% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.906, residual support = 1.71:
          HB3   LYS+ 111 - HN    GLU- 114   3.96 +/- 0.67  85.951% * 89.4123% (0.92   0.91   1.72) =  99.727%  kept
          QD    LYS+  66 - HN    GLU- 114  18.26 +/- 3.93   4.011% *  1.7071% (0.80   0.02   0.02) =   0.089%
          HB3   LYS+ 121 - HN    GLU- 114  12.50 +/- 0.81   3.270% *  2.0897% (0.98   0.02   0.02) =   0.089%
          HD2   LYS+ 121 - HN    GLU- 114  12.73 +/- 1.63   2.993% *  0.8765% (0.41   0.02   0.02) =   0.034%
          HG    LEU  104 - HN    GLU- 114  19.13 +/- 2.07   0.886% *  2.0897% (0.98   0.02   0.02) =   0.024%
          HD3   LYS+  74 - HN    GLU- 114  21.52 +/- 2.63   0.781% *  1.9120% (0.90   0.02   0.02) =   0.019%
          HG2   LYS+  65 - HN    GLU- 114  20.48 +/- 1.96   0.920% *  0.7272% (0.34   0.02   0.02) =   0.009%
          QG2   THR   26 - HN    GLU- 114  22.96 +/- 3.18   0.755% *  0.5928% (0.28   0.02   0.02) =   0.006%
          HG2   LYS+  33 - HN    GLU- 114  28.12 +/- 4.41   0.433% *  0.5928% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.23 A violated in 0 structures by 0.17 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.907, support = 2.3, residual support = 3.55:
          HD3   LYS+ 112 - HN    GLU- 114   6.54 +/- 1.03  35.255% * 60.6647% (0.98   2.80   3.01) =  55.315%  kept
          QG1   VAL  107 - HN    GLU- 114   5.34 +/- 0.95  52.132% * 31.6289% (0.84   1.72   4.43) =  42.646%  kept
          HG13  ILE  119 - HN    GLU- 114   9.20 +/- 1.06  11.077% *  7.0668% (0.41   0.78   0.12) =   2.025%  kept
          QG1   VAL   24 - HN    GLU- 114  22.28 +/- 3.32   1.007% *  0.4416% (1.00   0.02   0.02) =   0.012%
          HB3   LEU   31 - HN    GLU- 114  25.35 +/- 3.40   0.530% *  0.1980% (0.45   0.02   0.02) =   0.003%
    Distance limit 4.85 A violated in 0 structures by 0.12 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   3.13 +/- 0.51  96.859% * 99.4046% (0.57  10.0   3.86  14.94) =  99.996%  kept
          HA    GLN   30 - HN    GLY  101  16.26 +/- 4.23   1.306% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    GLY  101  17.28 +/- 2.42   0.792% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLY  101  25.07 +/- 2.68   0.304% *  0.1694% (0.97   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    GLY  101  27.94 +/- 4.19   0.460% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  24.59 +/- 2.79   0.280% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 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   2.86 +/- 0.16  96.524% * 99.9154% (0.53  10.0   2.86  15.43) =  99.998%  kept
          HB2   TRP   27 - HN    GLY  101  17.36 +/- 4.96   3.249% *  0.0423% (0.22   1.0   0.02   0.02) =   0.001%
          HD2   PRO   93 - HN    GLY  101  23.53 +/- 2.41   0.227% *  0.0423% (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 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.38, residual support = 75.7:
      O   HA    GLU- 100 - HN    GLU- 100   2.24 +/- 0.10  98.831% * 99.4046% (0.57  10.0   6.38  75.70) =  99.999%  kept
          HA    GLN   30 - HN    GLU- 100  15.05 +/- 3.79   0.625% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    GLU- 100  17.94 +/- 2.36   0.234% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  24.50 +/- 2.57   0.088% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  23.73 +/- 2.87   0.103% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  27.53 +/- 4.16   0.119% *  0.0924% (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 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.686, support = 4.28, residual support = 75.6:
          HG3   GLU- 100 - HN    GLU- 100   3.55 +/- 0.49  80.208% * 97.4324% (0.69   4.29  75.70) =  99.871%  kept
          HB    VAL   24 - HN    GLU- 100  19.24 +/- 5.61  10.030% *  0.6255% (0.95   0.02   0.02) =   0.080%
          QB    GLN   32 - HN    GLU- 100  13.71 +/- 3.81   2.903% *  0.6481% (0.98   0.02   0.02) =   0.024%
          HB2   PRO   68 - HN    GLU- 100  17.78 +/- 4.95   1.862% *  0.6481% (0.98   0.02   0.02) =   0.015%
          HB2   GLU-  14 - HN    GLU- 100  18.86 +/- 7.30   3.199% *  0.1472% (0.22   0.02   0.02) =   0.006%
          HG2   MET   11 - HN    GLU- 100  27.15 +/- 8.65   1.030% *  0.1309% (0.20   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    GLU- 100  26.98 +/- 4.29   0.417% *  0.1838% (0.28   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU- 100  23.18 +/- 3.41   0.352% *  0.1838% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 39.7:
          HB2   LYS+  99 - HN    GLU- 100   4.28 +/- 0.26  91.394% * 99.1226% (0.73   5.59  39.71) =  99.973%  kept
          HB    VAL   43 - HN    GLU- 100  12.81 +/- 1.55   4.283% *  0.4077% (0.84   0.02   0.02) =   0.019%
          QD    LYS+  81 - HN    GLU- 100  22.38 +/- 3.48   1.064% *  0.3731% (0.76   0.02   0.02) =   0.004%
          HB    ILE   89 - HN    GLU- 100  18.44 +/- 3.03   3.260% *  0.0966% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.896, support = 6.36, residual support = 39.7:
          HG2   LYS+  99 - HN    GLU- 100   3.00 +/- 0.51  80.035% * 98.3901% (0.90   6.37  39.71) =  99.933%  kept
          HG2   LYS+  38 - HN    GLU- 100  12.54 +/- 6.42   7.830% *  0.3325% (0.97   0.02   0.02) =   0.033%
          HB2   LEU   31 - HN    GLU- 100  13.00 +/- 4.20   6.192% *  0.1950% (0.57   0.02   0.02) =   0.015%
          QB    ALA   88 - HN    GLU- 100  16.51 +/- 3.15   3.055% *  0.3259% (0.95   0.02   0.02) =   0.013%
          QG2   THR   77 - HN    GLU- 100  16.71 +/- 3.10   1.066% *  0.2090% (0.61   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    GLU- 100  17.43 +/- 3.68   0.688% *  0.1063% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 100  19.52 +/- 3.23   0.418% *  0.1416% (0.41   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    GLU- 100  16.97 +/- 1.81   0.543% *  0.0767% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLU- 100  26.58 +/- 3.15   0.174% *  0.2229% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 174.6:
      O   HB2   LYS+  99 - HN    LYS+  99   3.25 +/- 0.30  88.049% * 99.7262% (0.99  10.0   4.79 174.65) =  99.994%  kept
          HB    VAL   43 - HN    LYS+  99  11.12 +/- 1.66   3.149% *  0.0952% (0.95   1.0   0.02   0.02) =   0.003%
          QD    LYS+  81 - HN    LYS+  99  20.66 +/- 3.79   0.965% *  0.0986% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  99  19.39 +/- 4.77   1.286% *  0.0570% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    GLN   30  13.14 +/- 3.01   3.388% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  13.80 +/- 2.93   1.601% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.75 +/- 3.18   0.968% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  20.49 +/- 5.05   0.595% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 17.5:
          QB    LEU   98 - HN    LYS+  99   3.07 +/- 0.38  62.439% * 93.5660% (0.57   3.85  17.51) =  99.900%  kept
          HD3   LYS+ 121 - HN    LYS+  99  14.92 +/- 7.11   1.465% *  0.7448% (0.87   0.02   0.02) =   0.019%
          HG    LEU   80 - HN    LYS+  99  18.74 +/- 4.45   1.056% *  0.6875% (0.80   0.02   0.02) =   0.012%
          QB    ALA   61 - HN    LYS+  99  15.66 +/- 3.20   1.074% *  0.5208% (0.61   0.02   0.02) =   0.010%
          QG    LYS+  66 - HN    LYS+  99  16.83 +/- 4.12   2.118% *  0.2387% (0.28   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    LYS+  99  18.04 +/- 3.97   0.604% *  0.8286% (0.97   0.02   0.02) =   0.009%
          HB3   LYS+  74 - HN    LYS+  99  17.24 +/- 3.25   0.657% *  0.7172% (0.84   0.02   0.02) =   0.008%
          HG12  ILE   19 - HN    LYS+  99  17.06 +/- 3.57   0.497% *  0.7701% (0.90   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    LYS+  99  16.42 +/- 4.11   0.803% *  0.3850% (0.45   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    GLN   30   8.38 +/- 1.41   5.507% *  0.0506% (0.06   0.02  14.81) =   0.005%
          QB    ALA  110 - HN    LYS+  99  18.59 +/- 1.35   0.336% *  0.7172% (0.84   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    LYS+  99  22.33 +/- 5.56   0.552% *  0.2650% (0.31   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    LYS+  99  14.58 +/- 3.59   1.057% *  0.1325% (0.15   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    GLN   30   7.71 +/- 2.65  11.011% *  0.0087% (0.01   0.02   5.34) =   0.002%
          HG    LEU   80 - HN    GLN   30  16.13 +/- 7.67   1.719% *  0.0452% (0.05   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    GLN   30  11.60 +/- 1.53   1.482% *  0.0471% (0.05   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    GLN   30  15.98 +/- 6.38   1.211% *  0.0544% (0.06   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    GLN   30  13.78 +/- 3.22   1.557% *  0.0342% (0.04   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLN   30  13.47 +/- 3.34   1.268% *  0.0319% (0.04   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN   30  15.38 +/- 3.29   1.411% *  0.0253% (0.03   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    GLN   30  22.41 +/- 5.82   0.408% *  0.0489% (0.06   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  15.80 +/- 3.20   0.823% *  0.0174% (0.02   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  16.74 +/- 3.67   0.759% *  0.0157% (0.02   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  22.82 +/- 2.50   0.187% *  0.0471% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.761, support = 3.58, residual support = 18.4:
          QD2   LEU  104 - HN    LYS+  99   2.50 +/- 0.86  57.156% * 50.1898% (0.80   3.44  18.82) =  65.865%  kept
          QD1   LEU   98 - HN    LYS+  99   4.03 +/- 1.15  30.582% * 48.3686% (0.69   3.87  17.51) =  33.964%  kept
          QD1   ILE   19 - HN    GLN   30   6.59 +/- 1.28   7.482% *  0.9641% (0.04   1.25  14.81) =   0.166%  kept
          QD1   ILE   19 - HN    LYS+  99  14.50 +/- 2.97   0.454% *  0.2357% (0.65   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LYS+  99  15.23 +/- 3.72   0.929% *  0.0811% (0.22   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    LYS+  99  15.88 +/- 2.04   0.458% *  0.1125% (0.31   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    GLN   30  14.87 +/- 3.09   0.843% *  0.0192% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  12.89 +/- 3.08   0.698% *  0.0164% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  10.60 +/- 1.94   1.069% *  0.0053% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  15.39 +/- 2.04   0.329% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 4.23, residual support = 18.5:
          QD1   LEU  104 - HN    LYS+  99   3.91 +/- 0.97  43.557% * 92.7129% (0.87   4.28  18.82) =  97.732%  kept
          QD1   LEU   73 - HN    GLN   30   5.89 +/- 2.30  23.683% *  3.4638% (0.06   2.43   5.34) =   1.985%  kept
          QD2   LEU   80 - HN    GLN   30  12.87 +/- 6.77   5.451% *  0.8526% (0.07   0.52   0.02) =   0.112%  kept
          QD1   LEU   63 - HN    GLN   30  13.66 +/- 3.99   3.460% *  0.6838% (0.06   0.48   0.02) =   0.057%
          QD1   LEU   73 - HN    LYS+  99  12.15 +/- 3.16   2.696% *  0.4331% (0.87   0.02   0.02) =   0.028%
          QD2   LEU   80 - HN    LYS+  99  15.74 +/- 3.80   2.338% *  0.4948% (0.99   0.02   0.02) =   0.028%
          QG1   VAL   83 - HN    LYS+  99  12.67 +/- 2.69   3.758% *  0.2052% (0.41   0.02   0.02) =   0.019%
          QD1   LEU   63 - HN    LYS+  99  13.44 +/- 2.96   1.510% *  0.4331% (0.87   0.02   0.02) =   0.016%
          QD2   LEU   63 - HN    LYS+  99  12.46 +/- 3.30   2.932% *  0.1388% (0.28   0.02   0.02) =   0.010%
          QD2   LEU  115 - HN    LYS+  99  16.03 +/- 1.40   0.643% *  0.4981% (1.00   0.02   0.02) =   0.008%
          QD1   LEU  104 - HN    GLN   30  14.96 +/- 3.69   3.086% *  0.0285% (0.06   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    GLN   30  12.73 +/- 5.37   3.331% *  0.0135% (0.03   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN   30  13.20 +/- 3.34   3.061% *  0.0091% (0.02   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    GLN   30  18.87 +/- 3.16   0.495% *  0.0327% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 3.97, residual support = 10.7:
          HB3   PHE   97 - HN    LEU   98   3.90 +/- 0.36  84.684% * 97.5098% (0.65   3.97  10.71) =  99.896%  kept
          HB2   GLU- 100 - HN    LEU   98   9.05 +/- 0.44   7.280% *  0.6806% (0.90   0.02   0.02) =   0.060%
          QG    GLU-  79 - HN    LEU   98  15.01 +/- 3.02   3.125% *  0.6338% (0.84   0.02   0.02) =   0.024%
          QG    GLN   32 - HN    LEU   98  15.84 +/- 2.98   1.862% *  0.3992% (0.53   0.02   0.02) =   0.009%
          HB2   GLN  116 - HN    LEU   98  18.47 +/- 1.92   0.940% *  0.6076% (0.80   0.02   0.02) =   0.007%
          HB2   PRO   58 - HN    LEU   98  16.99 +/- 3.86   2.109% *  0.1689% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.691, support = 3.81, residual support = 25.4:
          HG12  ILE  103 - HN    LEU   98   5.05 +/- 0.92  27.852% * 35.6541% (0.80   3.53  30.11) =  43.146%  kept
          HB    VAL   41 - HN    LEU   98   7.05 +/- 4.08  25.545% * 38.5419% (0.65   4.72  22.29) =  42.778%  kept
          HB    ILE  103 - HN    LEU   98   6.68 +/- 1.19  13.531% * 14.5070% (0.53   2.19  30.11) =   8.529%  kept
          HB3   ASP- 105 - HN    LEU   98   6.69 +/- 1.36  13.115% *  8.8714% (0.45   1.57   5.58) =   5.055%  kept
          QB    LYS+ 106 - HN    LEU   98   7.32 +/- 0.73   7.655% *  1.2835% (0.20   0.51   0.02) =   0.427%  kept
          QB    LYS+  66 - HN    LEU   98  13.52 +/- 3.63   6.198% *  0.1131% (0.45   0.02   0.02) =   0.030%
          HG3   PRO   68 - HN    LEU   98  16.08 +/- 4.61   1.498% *  0.1429% (0.57   0.02   0.02) =   0.009%
          HG    LEU  123 - HN    LEU   98  17.94 +/- 4.34   0.736% *  0.2473% (0.98   0.02   0.02) =   0.008%
          HB3   PRO   52 - HN    LEU   98  20.69 +/- 3.23   0.712% *  0.2473% (0.98   0.02   0.02) =   0.008%
          QB    LYS+  33 - HN    LEU   98  14.54 +/- 3.08   1.155% *  0.0861% (0.34   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    LEU   98  21.74 +/- 3.17   0.330% *  0.1228% (0.49   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   98  16.52 +/- 2.20   0.629% *  0.0562% (0.22   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    LEU   98  17.87 +/- 2.70   0.483% *  0.0702% (0.28   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LEU   98  17.37 +/- 2.21   0.562% *  0.0562% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.15 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.831, support = 4.88, residual support = 76.4:
      O   QB    LEU   98 - HN    LEU   98   2.92 +/- 0.30  66.748% * 97.3188% (0.84  10.0   4.89  76.88) =  99.402%  kept
          HB    VAL   42 - HN    LEU   98   6.87 +/- 3.73  19.441% *  1.9546% (0.18   1.0   1.92   0.42) =   0.581%  kept
          HB3   LYS+  74 - HN    LEU   98  14.04 +/- 3.18   2.989% *  0.1155% (0.99   1.0   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    LEU   98  12.87 +/- 6.50   2.681% *  0.1163% (1.00   1.0   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    LEU   98  12.42 +/- 3.17   2.649% *  0.0397% (0.34   1.0   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    LEU   98  14.90 +/- 3.43   0.931% *  0.0754% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   98  15.64 +/- 3.03   0.559% *  0.1142% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   98  13.39 +/- 3.79   1.557% *  0.0259% (0.22   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   98  15.85 +/- 1.55   0.488% *  0.0660% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  16.46 +/- 3.60   0.513% *  0.0613% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  21.67 +/- 4.60   0.313% *  0.0660% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  15.34 +/- 2.85   0.575% *  0.0259% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  16.47 +/- 2.36   0.556% *  0.0204% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.93, support = 3.84, residual support = 14.2:
          QD2   LEU   40 - HN    LEU   98   5.83 +/- 4.04  39.573% * 66.1664% (0.97   4.44   8.39) =  73.156%  kept
          QG2   ILE  103 - HN    LEU   98   4.63 +/- 0.83  30.249% * 30.2099% (0.87   2.26  30.11) =  25.531%  kept
          QD1   ILE  103 - HN    LEU   98   5.88 +/- 0.94  15.612% *  2.7854% (0.20   0.91  30.11) =   1.215%  kept
          QD1   LEU   67 - HN    LEU   98  10.07 +/- 3.30   7.960% *  0.2921% (0.95   0.02   0.02) =   0.065%
          HG3   LYS+  74 - HN    LEU   98  14.91 +/- 2.88   2.105% *  0.2360% (0.76   0.02   0.02) =   0.014%
          HB    VAL   75 - HN    LEU   98  11.50 +/- 1.58   2.100% *  0.2242% (0.73   0.02   0.02) =   0.013%
          QD2   LEU   71 - HN    LEU   98  11.45 +/- 3.32   2.400% *  0.0859% (0.28   0.02   0.02) =   0.006%
    Distance limit 4.27 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 = 0.63, support = 3.3, residual support = 44.3:
          QD1   LEU   98 - HN    LEU   98   3.56 +/- 0.95  35.457% * 45.6174% (0.38   4.80  76.88) =  50.549%  kept
          QD2   LEU  104 - HN    LEU   98   3.79 +/- 1.00  33.181% * 41.9394% (0.99   1.67   9.76) =  43.490%  kept
          QG1   VAL   41 - HN    LEU   98   6.91 +/- 3.13  17.328% * 10.2491% (0.15   2.62  22.29) =   5.550%  kept
          QG1   VAL   43 - HN    LEU   98   5.77 +/- 1.68  10.077% *  1.1733% (0.28   0.17   0.02) =   0.370%  kept
          QG2   THR   46 - HN    LEU   98  12.63 +/- 2.00   1.876% *  0.3071% (0.61   0.02   0.02) =   0.018%
          QD1   ILE   19 - HN    LEU   98  12.87 +/- 2.90   1.015% *  0.4674% (0.92   0.02   0.02) =   0.015%
          QG2   VAL   18 - HN    LEU   98  12.97 +/- 3.44   1.067% *  0.2464% (0.49   0.02   0.02) =   0.008%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (0.58, 9.69, 125.68 ppm):
    9 chemical-shift based assignments, quality = 0.234, support = 4.0, residual support = 42.4:
          QD2   LEU   98 - HN    LEU   98   3.41 +/- 1.10  41.276% * 25.5004% (0.15   4.65  76.88) =  43.373%  kept
          QG2   VAL   41 - HN    LEU   98   6.22 +/- 2.87  15.476% * 44.8961% (0.28   4.55  22.29) =  28.632%  kept
          QD1   LEU  104 - HN    LEU   98   4.39 +/- 1.14  24.921% * 26.8512% (0.31   2.45   9.76) =  27.574%  kept
          QD1   LEU   73 - HN    LEU   98   9.87 +/- 3.05   6.961% *  0.6369% (0.90   0.02   0.02) =   0.183%  kept
          QD2   LEU   63 - HN    LEU   98   9.33 +/- 3.34   5.177% *  0.5932% (0.84   0.02   0.02) =   0.127%  kept
          QD1   LEU   63 - HN    LEU   98  10.31 +/- 3.09   2.549% *  0.6369% (0.90   0.02   0.02) =   0.067%
          QD2   LEU   80 - HN    LEU   98  13.96 +/- 2.93   1.359% *  0.3736% (0.53   0.02   0.02) =   0.021%
          QD2   LEU  115 - HN    LEU   98  12.98 +/- 1.28   1.149% *  0.4021% (0.57   0.02   0.02) =   0.019%
          QD1   LEU   80 - HN    LEU   98  14.37 +/- 2.78   1.131% *  0.1096% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.14 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 = 0.94, support = 4.77, residual support = 61.6:
      O   HB2   PHE   97 - HN    PHE   97   2.86 +/- 0.58  69.250% * 95.8322% (0.95  10.0   4.82  62.27) =  98.610%  kept
          QE    LYS+ 106 - HN    PHE   97   5.16 +/- 1.21  23.770% *  3.9218% (0.53   1.0   1.47  11.86) =   1.385%  kept
          QE    LYS+  99 - HN    PHE   97   9.64 +/- 1.16   2.031% *  0.0614% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   TRP   27 - HN    PHE   97  15.35 +/- 2.43   0.763% *  0.0978% (0.97   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    PHE   97   9.72 +/- 1.59   2.427% *  0.0177% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    PHE   97  13.46 +/- 2.27   1.215% *  0.0346% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    PHE   97  17.16 +/- 2.11   0.544% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 44.5:
          HG2   MET   96 - HN    PHE   97   2.82 +/- 0.69  99.341% * 99.8227% (0.98   5.59  44.54) =  99.999%  kept
          HB2   PRO   52 - HN    PHE   97  18.00 +/- 2.58   0.659% *  0.1773% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.34, support = 5.14, residual support = 61.7:
      O   HB3   PHE   97 - HN    PHE   97   3.19 +/- 0.48  84.858% * 92.0647% (0.34  10.0   5.17  62.27) =  99.076%  kept
          HB    VAL  107 - HN    PHE   97   7.22 +/- 0.83  10.054% *  7.1455% (0.28   1.0   1.90   5.44) =   0.911%  kept
          QG    GLU-  79 - HN    PHE   97  14.57 +/- 3.18   1.795% *  0.2693% (1.00   1.0   0.02   0.02) =   0.006%
          HB2   GLU- 100 - HN    PHE   97  12.37 +/- 0.70   1.751% *  0.1637% (0.61   1.0   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    PHE   97  18.35 +/- 2.69   0.640% *  0.2254% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    PHE   97  15.85 +/- 1.76   0.903% *  0.1314% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 716 (2.24, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.636, support = 4.78, residual support = 51.4:
          HB2   MET   96 - HN    PHE   97   4.13 +/- 0.27  58.731% * 35.2351% (0.31   6.07  44.54) =  51.181%  kept
          HB2   ASP- 105 - HN    PHE   97   5.48 +/- 0.99  31.144% * 63.3125% (0.98   3.44  58.74) =  48.767%  kept
          HG2   GLU- 100 - HN    PHE   97  12.88 +/- 0.99   2.029% *  0.2874% (0.76   0.02   0.02) =   0.014%
          HB3   ASP-  76 - HN    PHE   97  15.18 +/- 2.42   1.576% *  0.3141% (0.84   0.02   0.02) =   0.012%
          HG12  ILE  119 - HN    PHE   97  12.66 +/- 2.94   2.847% *  0.1546% (0.41   0.02   0.55) =   0.011%
          HG3   MET   92 - HN    PHE   97  16.81 +/- 1.20   0.977% *  0.3372% (0.90   0.02   0.02) =   0.008%
          HB2   GLU-  29 - HN    PHE   97  20.21 +/- 2.06   0.558% *  0.3011% (0.80   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    PHE   97  12.92 +/- 1.46   2.139% *  0.0580% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.06, residual support = 44.4:
          HB3   MET   96 - HN    PHE   97   4.02 +/- 0.50  88.058% * 91.3838% (0.15   6.07  44.54) =  99.807%  kept
          HB3   PRO   58 - HN    PHE   97  16.54 +/- 3.57   3.006% *  1.9122% (0.98   0.02   0.02) =   0.071%
          HB2   MET   92 - HN    PHE   97  15.83 +/- 0.96   1.651% *  1.6922% (0.87   0.02   0.02) =   0.035%
          HB3   GLN   30 - HN    PHE   97  15.95 +/- 2.01   1.745% *  1.4166% (0.73   0.02   0.02) =   0.031%
          HB    ILE   56 - HN    PHE   97  14.66 +/- 2.18   2.720% *  0.7322% (0.38   0.02   0.02) =   0.025%
          HB3   LYS+  38 - HN    PHE   97  18.65 +/- 2.99   1.183% *  1.0264% (0.53   0.02   0.02) =   0.015%
          HB3   GLU-  14 - HN    PHE   97  22.46 +/- 4.33   1.327% *  0.7322% (0.38   0.02   0.02) =   0.012%
          HG3   MET   11 - HN    PHE   97  31.51 +/- 5.64   0.310% *  1.1045% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.41 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 = 0.616, support = 2.36, residual support = 3.26:
          QG2   ILE  103 - HN    PHE   97   3.13 +/- 0.63  80.087% * 63.4708% (0.61   2.45   3.43) =  93.744%  kept
          QD2   LEU   40 - HN    PHE   97   8.48 +/- 3.01   9.680% * 34.4739% (0.76   1.06   0.71) =   6.154%  kept
          QD1   LEU   67 - HN    PHE   97  11.28 +/- 3.12   4.002% *  0.6197% (0.73   0.02   0.02) =   0.046%
          HB    VAL   75 - HN    PHE   97  11.44 +/- 1.43   2.603% *  0.8073% (0.95   0.02   0.02) =   0.039%
          QD1   ILE  119 - HN    PHE   97  11.66 +/- 1.99   2.683% *  0.2128% (0.25   0.02   0.55) =   0.011%
          HG3   LYS+  74 - HN    PHE   97  15.35 +/- 2.16   0.945% *  0.4154% (0.49   0.02   0.02) =   0.007%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 3.98, residual support = 11.9:
          HB3   PHE   95 - HN    MET   96   3.82 +/- 0.40  82.975% * 95.7079% (0.24   3.99  11.96) =  99.779%  kept
          HB3   TRP   87 - HN    MET   96   8.04 +/- 1.15  13.145% *  1.0892% (0.54   0.02   0.02) =   0.180%  kept
          HG3   GLN  116 - HN    MET   96  15.50 +/- 1.10   1.494% *  0.9364% (0.46   0.02   0.02) =   0.018%
          HG2   GLU-  25 - HN    MET   96  20.97 +/- 2.30   0.648% *  1.8858% (0.93   0.02   0.02) =   0.015%
          HG2   GLN  116 - HN    MET   96  14.80 +/- 1.25   1.738% *  0.3807% (0.19   0.02   0.02) =   0.008%
    Distance limit 4.17 A violated in 0 structures by 0.05 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.943, support = 4.03, residual support = 115.3:
      O   HB2   MET   96 - HN    MET   96   2.75 +/- 0.37  85.728% * 98.3423% (0.94  10.0   4.04 115.43) =  99.868%  kept
          HB2   ASP- 105 - HN    MET   96   7.80 +/- 1.37   8.226% *  1.3123% (0.42   1.0   0.59   0.02) =   0.128%  kept
          HB    VAL   70 - HN    MET   96  11.42 +/- 2.07   1.744% *  0.0716% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    MET   96  12.20 +/- 1.47   1.422% *  0.0677% (0.65   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    MET   96  16.41 +/- 3.52   1.104% *  0.0638% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    MET   96  15.53 +/- 1.05   0.609% *  0.0753% (0.72   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    MET   96  20.60 +/- 2.25   0.277% *  0.0519% (0.50   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.38 +/- 1.09   0.891% *  0.0152% (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 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.4:
      O   HB3   MET   96 - HN    MET   96   2.85 +/- 0.36  94.268% * 99.5022% (0.57  10.0   3.97 115.43) =  99.994%  kept
          HB2   LEU   40 - HN    MET   96  12.84 +/- 1.71   1.303% *  0.1552% (0.89   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HN    MET   96  14.98 +/- 4.30   1.730% *  0.0863% (0.50   1.0   0.02   0.02) =   0.002%
          HB3   ARG+  54 - HN    MET   96  16.73 +/- 2.47   0.712% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    MET   96  12.64 +/- 2.07   1.536% *  0.0456% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    MET   96  21.71 +/- 3.51   0.322% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  30.54 +/- 4.97   0.129% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.215, support = 1.38, residual support = 14.1:
          HB    VAL   43 - HN    MET   96   4.42 +/- 1.34  63.202% * 60.2480% (0.19   1.50  15.57) =  90.596%  kept
          HG2   PRO   93 - HN    MET   96  10.46 +/- 1.42  14.956% * 22.9928% (0.46   0.23   0.02) =   8.181%  kept
          QB    LYS+  65 - HN    MET   96  11.95 +/- 1.63   4.033% *  3.3905% (0.79   0.02   0.02) =   0.325%  kept
          QB    LYS+ 102 - HN    MET   96  11.87 +/- 1.02   3.326% *  2.9476% (0.69   0.02   0.02) =   0.233%  kept
          HB3   GLN   17 - HN    MET   96  17.93 +/- 3.58   2.514% *  3.7471% (0.87   0.02   0.02) =   0.224%  kept
          HB2   LEU   71 - HN    MET   96  14.24 +/- 2.17   2.346% *  3.5211% (0.82   0.02   0.02) =   0.197%  kept
          HB2   LYS+  99 - HN    MET   96  11.17 +/- 0.55   4.053% *  1.1286% (0.26   0.02   0.02) =   0.109%  kept
          QB    LYS+  66 - HN    MET   96  12.55 +/- 2.21   3.667% *  1.0122% (0.24   0.02   0.02) =   0.088%
          QD    LYS+  81 - HN    MET   96  15.25 +/- 1.38   1.902% *  1.0122% (0.24   0.02   0.02) =   0.046%
    Distance limit 4.06 A violated in 0 structures by 0.29 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.828, support = 1.63, residual support = 3.11:
          QG2   THR   94 - HN    MET   96   4.38 +/- 0.63  66.588% * 84.2702% (0.85   1.67   3.06) =  96.516%  kept
          HG12  ILE   89 - HN    MET   96   8.05 +/- 1.63  18.839% *  9.4200% (0.21   0.75   5.08) =   3.052%  kept
          HB3   LYS+ 112 - HN    MET   96  14.29 +/- 2.46   4.412% *  3.8228% (0.82   0.08   0.02) =   0.290%  kept
          HD2   LYS+ 112 - HN    MET   96  14.03 +/- 2.97   3.949% *  1.1060% (0.93   0.02   0.02) =   0.075%
          HB3   LEU   71 - HN    MET   96  14.50 +/- 2.19   2.519% *  1.0673% (0.89   0.02   0.02) =   0.046%
          HG3   LYS+ 111 - HN    MET   96  15.03 +/- 2.67   3.693% *  0.3137% (0.26   0.02   0.02) =   0.020%
    Distance limit 4.67 A violated in 0 structures by 0.06 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.77, support = 2.77, residual support = 14.3:
          QG1   VAL   43 - HN    MET   96   4.12 +/- 1.40  58.533% * 78.4682% (0.76   2.96  15.57) =  92.034%  kept
          QG2   THR   46 - HN    MET   96   8.19 +/- 1.54  19.891% * 19.4340% (0.94   0.59   0.14) =   7.746%  kept
          QD2   LEU  104 - HN    MET   96   8.46 +/- 1.11   8.920% *  0.4813% (0.69   0.02   0.02) =   0.086%
          QG2   VAL   18 - HN    MET   96  12.27 +/- 3.27   5.238% *  0.6396% (0.91   0.02   0.02) =   0.067%
          QG1   VAL   41 - HN    MET   96   9.61 +/- 1.17   5.249% *  0.4020% (0.57   0.02   0.02) =   0.042%
          QD1   ILE   19 - HN    MET   96  13.66 +/- 2.39   2.169% *  0.5749% (0.82   0.02   0.02) =   0.025%
    Distance limit 4.74 A violated in 0 structures by 0.09 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.781, support = 0.676, residual support = 0.379:
          QD1   LEU   63 - HN    MET   96   8.07 +/- 3.06  14.873% * 35.8932% (0.85   0.80   0.50) =  40.271%  kept
          QD2   LEU   63 - HN    MET   96   7.69 +/- 2.88  17.055% * 24.6903% (0.79   0.59   0.50) =  31.766%  kept
          QD2   LEU  115 - HN    MET   96   9.46 +/- 1.32   7.286% * 25.7650% (0.54   0.91   0.11) =  14.161%  kept
          QD1   LEU   73 - HN    MET   96   9.50 +/- 2.75  14.019% * 12.2326% (0.85   0.27   0.02) =  12.936%  kept
          QD1   LEU  104 - HN    MET   96   8.72 +/- 1.55  10.771% *  0.3081% (0.29   0.02   0.02) =   0.250%  kept
          QD2   LEU   98 - HN    MET   96   6.55 +/- 1.37  19.513% *  0.1540% (0.15   0.02   0.23) =   0.227%  kept
          QG2   VAL   41 - HN    MET   96   8.29 +/- 1.32   9.179% *  0.2775% (0.26   0.02   0.02) =   0.192%  kept
          QD2   LEU   80 - HN    MET   96  11.87 +/- 1.97   4.027% *  0.5252% (0.50   0.02   0.02) =   0.160%  kept
          QD1   LEU   80 - HN    MET   96  12.01 +/- 2.05   3.276% *  0.1540% (0.15   0.02   0.02) =   0.038%
    Distance limit 4.66 A violated in 1 structures by 0.45 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.683, support = 1.42, residual support = 4.4:
          QD1   ILE   89 - HN    MET   96   5.09 +/- 1.24  61.823% * 70.2892% (0.72   1.50   5.08) =  84.910%  kept
          QG2   VAL   83 - HN    MET   96   8.05 +/- 1.46  26.070% * 29.5449% (0.46   0.99   0.56) =  15.051%  kept
          QD2   LEU   31 - HN    MET   96  11.24 +/- 2.10  12.107% *  0.1660% (0.13   0.02   0.02) =   0.039%
    Distance limit 4.53 A violated in 2 structures by 0.54 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.85, residual support = 73.4:
      O   HB2   PHE   95 - HN    PHE   95   2.64 +/- 0.31 100.000% *100.0000% (0.87  10.0   3.85  73.43) = 100.000%  kept
    Distance limit 4.08 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   3.46 +/- 0.41  97.281% * 99.8580% (0.98  10.0   4.19  73.43) =  99.997%  kept
          HG2   GLN  116 - HN    PHE   95  12.59 +/- 1.08   2.342% *  0.0964% (0.95   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  25 - HN    PHE   95  23.22 +/- 2.04   0.377% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.983, support = 3.61, residual support = 44.9:
          HB    VAL  107 - HN    PHE   95   3.91 +/- 0.34  60.503% * 91.2729% (0.99   3.70  46.01) =  97.409%  kept
          HB3   PHE   45 - HN    PHE   95   5.80 +/- 1.23  27.096% *  3.8156% (0.69   0.22   1.89) =   1.824%  kept
          QE    LYS+ 112 - HN    PHE   95   9.91 +/- 2.30  10.051% *  4.2835% (0.69   0.25   3.68) =   0.759%  kept
          QG    GLU-  79 - HN    PHE   95  13.61 +/- 1.57   1.628% *  0.1870% (0.38   0.02   0.02) =   0.005%
          QG    GLN   32 - HN    PHE   95  21.22 +/- 1.76   0.418% *  0.3423% (0.69   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HN    PHE   95  23.34 +/- 1.47   0.304% *  0.0986% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.38 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 = 0.784, support = 4.33, residual support = 18.4:
          QG2   THR   94 - HN    PHE   95   2.52 +/- 0.45  59.900% * 79.9497% (0.87   4.30  14.54) =  87.620%  kept
          QG2   VAL  107 - HN    PHE   95   3.41 +/- 0.84  35.507% * 19.0218% (0.20   4.49  46.01) =  12.357%  kept
          HB3   LYS+ 112 - HN    PHE   95  11.13 +/- 2.27   1.474% *  0.3841% (0.90   0.02   3.68) =   0.010%
          HG13  ILE  103 - HN    PHE   95  10.18 +/- 1.55   1.285% *  0.2598% (0.61   0.02   0.02) =   0.006%
          HD2   LYS+ 112 - HN    PHE   95  11.25 +/- 2.94   1.570% *  0.2085% (0.49   0.02   3.68) =   0.006%
          HB3   LEU   71 - HN    PHE   95  17.49 +/- 2.24   0.265% *  0.1761% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 24.5:
      O   HB    THR   94 - HN    THR   94   2.84 +/- 0.25  87.622% * 98.9931% (0.65  10.0   3.08  24.53) =  99.988%  kept
          QB    SER   48 - HN    THR   94  10.72 +/- 1.07   1.919% *  0.1169% (0.76   1.0   0.02   0.02) =   0.003%
          QB    SER   85 - HN    THR   94  12.56 +/- 0.90   1.131% *  0.1477% (0.97   1.0   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    THR   94  14.57 +/- 2.60   1.085% *  0.1413% (0.92   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    THR   94  10.73 +/- 1.94   2.932% *  0.0522% (0.34   1.0   0.02   0.02) =   0.002%
          HA2   GLY   51 - HN    THR   94  13.18 +/- 1.67   1.199% *  0.0745% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    THR   94  17.23 +/- 1.79   0.467% *  0.1448% (0.95   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    THR   94  12.82 +/- 1.82   1.246% *  0.0382% (0.25   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    THR   94  11.58 +/- 0.94   1.493% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  22.46 +/- 4.46   0.264% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  17.73 +/- 2.29   0.431% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.20 +/- 2.35   0.211% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.95, residual support = 27.1:
          HB2   PHE   45 - HN    THR   94   3.18 +/- 0.79  85.855% * 98.8926% (0.95   2.96  27.12) =  99.888%  kept
          QE    LYS+ 111 - HN    THR   94  11.19 +/- 2.77  12.515% *  0.7071% (1.00   0.02   0.02) =   0.104%  kept
          HB2   CYS   21 - HN    THR   94  15.42 +/- 3.14   1.630% *  0.4003% (0.57   0.02   0.02) =   0.008%
    Distance limit 4.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.554, support = 1.43, residual support = 25.2:
          HB3   PHE   45 - HN    THR   94   3.04 +/- 0.79  65.659% * 59.7230% (0.57   1.50  27.12) =  92.654%  kept
          QE    LYS+ 112 - HN    THR   94   9.32 +/- 2.84  15.609% *  9.9642% (0.57   0.25   0.02) =   3.675%  kept
          HB    VAL  107 - HN    THR   94   7.33 +/- 0.49   6.526% * 16.0311% (0.20   1.15   0.02) =   2.472%  kept
          HG3   MET   96 - HN    THR   94   9.45 +/- 1.04   4.099% * 10.3370% (0.28   0.53   3.06) =   1.001%  kept
          HB3   ASP-  62 - HN    THR   94  11.23 +/- 2.86   6.419% *  0.9661% (0.69   0.02   0.02) =   0.147%  kept
          HB3   ASP-  86 - HN    THR   94  12.83 +/- 1.16   1.308% *  1.3941% (0.99   0.02   0.02) =   0.043%
          HG2   GLU-  29 - HN    THR   94  23.09 +/- 1.87   0.218% *  1.3941% (0.99   0.02   0.02) =   0.007%
          HG2   GLU-  36 - HN    THR   94  26.32 +/- 2.02   0.162% *  0.1904% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.37, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.67 +/- 0.37  73.464% * 99.5171% (0.98  10.0   4.37  15.58) =  99.979%  kept
          HB    VAL  108 - HN    THR   94   9.31 +/- 2.29  10.357% *  0.0697% (0.69   1.0   0.02   0.02) =   0.010%
          HB2   ARG+  54 - HN    THR   94  12.96 +/- 2.54   3.793% *  0.0776% (0.76   1.0   0.02   0.02) =   0.004%
          HG3   PRO   52 - HN    THR   94  11.13 +/- 2.58   5.707% *  0.0417% (0.41   1.0   0.02   0.02) =   0.003%
          HG2   PRO   58 - HN    THR   94  12.46 +/- 2.32   2.701% *  0.0417% (0.41   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    THR   94  13.62 +/- 1.82   1.744% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    THR   94  17.39 +/- 1.74   0.726% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  24.53 +/- 2.82   0.300% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  17.99 +/- 2.15   0.681% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  21.92 +/- 1.34   0.358% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  32.29 +/- 4.34   0.169% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.89, support = 2.81, residual support = 15.3:
      O   HB3   PRO   93 - HN    THR   94   3.70 +/- 0.42  51.971% * 94.9194% (0.90  10.0   2.83  15.58) =  98.435%  kept
          HB3   ASP-  44 - HN    THR   94   5.96 +/- 1.10  17.967% *  4.2480% (0.49   1.0   1.65   0.02) =   1.523%  kept
          QB    ALA   84 - HN    THR   94   8.11 +/- 1.69   6.820% *  0.0918% (0.87   1.0   0.02   0.02) =   0.012%
          HB2   LYS+ 112 - HN    THR   94  11.03 +/- 2.41   4.632% *  0.0809% (0.76   1.0   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - HN    THR   94  10.68 +/- 1.22   2.517% *  0.0918% (0.87   1.0   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HN    THR   94  14.41 +/- 3.47   3.510% *  0.0599% (0.57   1.0   0.02   0.02) =   0.004%
          HB3   LEU   73 - HN    THR   94  12.93 +/- 2.17   2.250% *  0.0685% (0.65   1.0   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    THR   94  11.26 +/- 1.26   2.064% *  0.0599% (0.57   1.0   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    THR   94  10.55 +/- 2.07   2.960% *  0.0397% (0.38   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    THR   94  13.46 +/- 1.62   1.219% *  0.0809% (0.76   1.0   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    THR   94  12.19 +/- 2.25   2.332% *  0.0294% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    THR   94  19.86 +/- 1.67   0.379% *  0.0727% (0.69   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    THR   94  19.80 +/- 1.61   0.371% *  0.0685% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    THR   94  20.89 +/- 1.57   0.310% *  0.0515% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.88 +/- 2.75   0.452% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  25.09 +/- 3.32   0.247% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.377, support = 3.26, residual support = 22.8:
          QG2   THR   94 - HN    THR   94   3.82 +/- 0.16  60.885% * 64.8833% (0.34   3.51  24.53) =  91.170%  kept
          HG12  ILE   89 - HN    THR   94   7.28 +/- 0.91  11.436% * 31.0802% (0.76   0.75   5.46) =   8.203%  kept
          HB3   LYS+ 112 - HN    THR   94  10.86 +/- 2.76   9.815% *  1.3074% (0.31   0.08   0.02) =   0.296%  kept
          HD2   LYS+ 112 - HN    THR   94  10.87 +/- 3.41  11.112% *  0.7875% (0.73   0.02   0.02) =   0.202%  kept
          HG3   LYS+ 111 - HN    THR   94  11.69 +/- 2.71   5.272% *  0.9059% (0.84   0.02   0.02) =   0.110%  kept
          HB3   LEU   71 - HN    THR   94  17.58 +/- 2.29   0.804% *  0.8684% (0.80   0.02   0.02) =   0.016%
          HG    LEU   71 - HN    THR   94  18.39 +/- 2.34   0.676% *  0.1673% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.46 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 = 5.46:
          QG2   ILE   89 - HN    THR   94   4.74 +/- 0.66  89.272% * 99.1801% (0.90   0.75   5.46) =  99.901%  kept
          QG1   VAL   83 - HN    THR   94  10.25 +/- 1.50  10.728% *  0.8199% (0.28   0.02   0.02) =   0.099%
    Distance limit 4.62 A violated in 0 structures by 0.35 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.284, support = 3.09, residual support = 48.8:
          HG3   MET   92 - HN    MET   92   3.68 +/- 0.63  74.751% * 45.6615% (0.14   3.74  61.29) =  79.543%  kept
          QG    GLN   90 - HN    MET   92   6.43 +/- 0.82  19.417% * 44.7521% (0.87   0.57   0.11) =  20.250%  kept
          HB2   ASP-  44 - HN    MET   92  12.84 +/- 1.67   2.738% *  1.7668% (0.98   0.02   0.02) =   0.113%  kept
          HB3   PHE   72 - HN    MET   92  19.33 +/- 2.33   0.953% *  1.6639% (0.92   0.02   0.02) =   0.037%
          HG12  ILE  119 - HN    MET   92  16.45 +/- 1.48   1.061% *  0.9483% (0.53   0.02   0.02) =   0.023%
          QG    GLU-  15 - HN    MET   92  26.88 +/- 3.85   0.320% *  1.8025% (1.00   0.02   0.02) =   0.013%
          QG    GLU-  14 - HN    MET   92  26.32 +/- 3.31   0.310% *  1.7395% (0.97   0.02   0.02) =   0.013%
          QB    MET   11 - HN    MET   92  32.67 +/- 3.87   0.186% *  1.3089% (0.73   0.02   0.02) =   0.006%
          HB2   GLU-  29 - HN    MET   92  26.65 +/- 2.32   0.264% *  0.3567% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.27 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 = 0.997, support = 3.65, residual support = 61.2:
      O   HB2   MET   92 - HN    MET   92   2.74 +/- 0.62  83.723% * 98.1805% (1.00  10.0   3.65  61.29) =  99.890%  kept
          HB3   GLN   90 - HN    MET   92   7.21 +/- 0.58   6.296% *  1.3816% (0.18   1.0   1.60   0.11) =   0.106%  kept
          HB    ILE   56 - HN    MET   92  13.67 +/- 3.76   2.146% *  0.0637% (0.65   1.0   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    MET   92  11.50 +/- 3.37   5.310% *  0.0219% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   92  18.25 +/- 3.03   0.649% *  0.0950% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    MET   92  12.72 +/- 1.08   1.136% *  0.0245% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  23.12 +/- 2.12   0.237% *  0.0931% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  29.31 +/- 2.91   0.155% *  0.0788% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.86 +/- 1.76   0.185% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  30.09 +/- 3.91   0.116% *  0.0172% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  37.75 +/- 5.04   0.047% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.561, support = 3.99, residual support = 60.5:
      O   HB3   MET   92 - HN    MET   92   3.61 +/- 0.30  63.674% * 94.2116% (0.57  10.0   4.00  61.29) =  98.602%  kept
          HG3   PRO   93 - HN    MET   92   5.77 +/- 0.77  16.772% *  4.9767% (0.20   1.0   3.02   1.86) =   1.372%  kept
          QG1   ILE   56 - HN    MET   92  11.62 +/- 2.97   4.053% *  0.1272% (0.76   1.0   0.02   0.02) =   0.008%
          HD2   LYS+ 111 - HN    MET   92  12.52 +/- 4.07   4.742% *  0.0746% (0.45   1.0   0.02   0.02) =   0.006%
          HB    ILE   89 - HN    MET   92   8.11 +/- 1.28   7.647% *  0.0415% (0.25   1.0   0.02   0.02) =   0.005%
          QD    LYS+ 106 - HN    MET   92  13.05 +/- 1.17   1.477% *  0.1492% (0.90   1.0   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    MET   92  22.50 +/- 2.54   0.457% *  0.1536% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   LEU   73 - HN    MET   92  18.91 +/- 2.46   0.533% *  0.1208% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    MET   92  23.55 +/- 2.60   0.386% *  0.1076% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    MET   92  23.55 +/- 1.84   0.259% *  0.0370% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 3.14, residual support = 9.27:
          QB    ALA   91 - HN    MET   92   2.96 +/- 0.31  92.220% * 96.2841% (1.00   3.14   9.27) =  99.964%  kept
          QG2   ILE   56 - HN    MET   92  10.92 +/- 3.16   4.656% *  0.4223% (0.69   0.02   0.02) =   0.022%
          HG2   LYS+  74 - HN    MET   92  16.30 +/- 3.48   0.805% *  0.3977% (0.65   0.02   0.02) =   0.004%
          QG2   THR   39 - HN    MET   92  21.23 +/- 2.63   0.405% *  0.6134% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    MET   92  25.19 +/- 3.16   0.465% *  0.4223% (0.69   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    MET   92  23.84 +/- 2.99   0.233% *  0.5333% (0.87   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    MET   92  20.51 +/- 1.86   0.392% *  0.2992% (0.49   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    MET   92  24.24 +/- 3.17   0.265% *  0.3729% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    MET   92  30.29 +/- 2.98   0.124% *  0.5333% (0.87   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  19.78 +/- 2.93   0.435% *  0.1217% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.57 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 = 7.66:
          HA    ILE   89 - HN    ALA   91   3.77 +/- 0.37  84.475% * 96.1944% (0.61   2.49   7.66) =  99.957%  kept
          HB    THR  118 - HN    ALA   91  15.51 +/- 2.71   1.530% *  1.2074% (0.95   0.02   0.02) =   0.023%
          HB3   SER   82 - HN    ALA   91  14.24 +/- 1.25   1.726% *  0.2235% (0.18   0.02   0.02) =   0.005%
          HB    THR   39 - HN    ALA   91  24.61 +/- 2.02   0.380% *  0.5722% (0.45   0.02   0.02) =   0.003%
          HB3   SER   37 - HN    ALA   91  27.72 +/- 2.26   0.261% *  0.7741% (0.61   0.02   0.02) =   0.002%
          QB    SER   13 - HN    TRP   27  15.25 +/- 3.73   2.893% *  0.0648% (0.05   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    TRP   27  15.75 +/- 1.90   1.404% *  0.0957% (0.07   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ALA   91  28.28 +/- 3.55   0.251% *  0.5247% (0.41   0.02   0.02) =   0.002%
          HB    THR   39 - HN    TRP   27  14.90 +/- 2.37   1.763% *  0.0707% (0.06   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    TRP   27  16.45 +/- 7.45   3.892% *  0.0276% (0.02   0.02   0.02) =   0.001%
          HB    THR  118 - HN    TRP   27  22.14 +/- 3.38   0.718% *  0.1492% (0.12   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    TRP   27  20.23 +/- 3.32   0.707% *  0.0957% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.712, support = 4.91, residual support = 31.7:
          HB2   GLN   90 - HN    ALA   91   3.73 +/- 0.55  50.361% * 91.7489% (0.73   4.96  32.35) =  97.842%  kept
          HB2   GLU-  25 - HN    TRP   27   5.05 +/- 0.25  22.081% *  2.4895% (0.02   4.00   0.62) =   1.164%  kept
          HG3   GLU-  29 - HN    TRP   27   6.15 +/- 0.30  12.038% *  3.1975% (0.11   1.13   0.02) =   0.815%  kept
          HB3   GLU-  29 - HN    TRP   27   6.86 +/- 0.17   8.959% *  0.8954% (0.07   0.54   0.02) =   0.170%  kept
          HB3   GLU-  79 - HN    ALA   91  14.50 +/- 2.95   1.198% *  0.1008% (0.20   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ALA   91  26.81 +/- 2.90   0.169% *  0.4568% (0.90   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    ALA   91  29.04 +/- 2.19   0.120% *  0.4819% (0.95   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    ALA   91  26.78 +/- 2.34   0.161% *  0.2680% (0.53   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    TRP   27  17.93 +/- 1.51   0.564% *  0.0595% (0.12   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    TRP   27  13.63 +/- 4.83   2.528% *  0.0125% (0.02   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    ALA   91  25.40 +/- 3.63   0.207% *  0.1008% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  26.49 +/- 1.87   0.156% *  0.1270% (0.25   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.77 +/- 1.02   1.143% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  23.25 +/- 4.44   0.314% *  0.0457% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.973, support = 4.89, residual support = 31.8:
          HB3   GLN   90 - HN    ALA   91   3.71 +/- 0.51  43.608% * 90.8628% (0.99   4.96  32.35) =  97.854%  kept
          HB2   MET   92 - HN    ALA   91   5.90 +/- 0.96  14.840% *  5.5748% (0.15   1.95   9.27) =   2.043%  kept
          QB    LYS+  81 - HN    ALA   91  10.57 +/- 2.30   2.755% *  0.3568% (0.97   0.02   0.02) =   0.024%
          QB    LYS+ 106 - HN    ALA   91  10.47 +/- 1.77   2.721% *  0.3497% (0.95   0.02   0.02) =   0.023%
          HG3   PRO   68 - HN    ALA   91  24.67 +/- 4.65   0.965% *  0.3413% (0.92   0.02   0.02) =   0.008%
          HG2   ARG+  54 - HN    ALA   91  17.16 +/- 3.71   0.879% *  0.3568% (0.97   0.02   0.02) =   0.008%
          HB3   ASP- 105 - HN    ALA   91  16.16 +/- 2.07   0.766% *  0.3624% (0.98   0.02   0.02) =   0.007%
          HB3   GLN   30 - HN    TRP   27   5.12 +/- 0.61  19.745% *  0.0114% (0.03   0.02   0.02) =   0.006%
          HB    ILE   56 - HN    ALA   91  15.21 +/- 3.14   1.010% *  0.2093% (0.57   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    ALA   91  16.62 +/- 2.13   0.583% *  0.3497% (0.95   0.02   0.02) =   0.005%
          HB3   PRO   52 - HN    ALA   91  13.57 +/- 3.77   2.196% *  0.0922% (0.25   0.02   0.02) =   0.005%
          QB    LYS+  33 - HN    TRP   27   9.63 +/- 0.84   2.729% *  0.0457% (0.12   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    ALA   91  23.93 +/- 1.54   0.183% *  0.3697% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    TRP   27  16.23 +/- 5.44   1.294% *  0.0441% (0.12   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    TRP   27  19.90 +/- 3.67   0.745% *  0.0422% (0.11   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    TRP   27  23.07 +/- 4.31   0.517% *  0.0441% (0.12   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    TRP   27  20.15 +/- 4.58   0.516% *  0.0432% (0.12   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ALA   91  22.29 +/- 2.16   0.235% *  0.0922% (0.25   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ALA   91  23.10 +/- 2.10   0.206% *  0.0922% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  18.46 +/- 2.50   0.431% *  0.0432% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  28.14 +/- 2.30   0.121% *  0.1520% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.57 +/- 3.27   0.393% *  0.0448% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  20.73 +/- 3.66   0.539% *  0.0259% (0.07   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  22.81 +/- 4.49   0.296% *  0.0453% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  17.97 +/- 1.75   0.471% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  23.97 +/- 6.12   0.671% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.99 +/- 4.76   0.347% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  22.60 +/- 2.35   0.236% *  0.0070% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.04 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   2.26 +/- 0.16  75.302% * 99.2924% (0.92  10.0   3.07  12.83) =  99.996%  kept
          QG2   ILE   56 - HN    ALA   91  12.32 +/- 2.78   0.838% *  0.0993% (0.92   1.0   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    TRP   27   9.33 +/- 2.29   7.101% *  0.0081% (0.07   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    TRP   27   5.05 +/- 0.61   8.483% *  0.0055% (0.05   1.0   0.02   1.20) =   0.001%
          HG2   LYS+  74 - HN    TRP   27  10.84 +/- 2.43   4.055% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  22.93 +/- 3.34   0.354% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  20.50 +/- 1.96   0.130% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.58 +/- 1.79   0.148% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.36 +/- 0.68   1.158% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  16.58 +/- 2.87   0.258% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  13.04 +/- 2.22   0.616% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  19.62 +/- 3.17   0.147% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.10 +/- 2.46   0.047% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  23.56 +/- 2.57   0.075% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  17.52 +/- 3.02   0.238% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  23.95 +/- 2.61   0.078% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.28 +/- 2.18   0.199% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.10 +/- 2.18   0.407% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  19.62 +/- 2.08   0.133% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.38 +/- 3.67   0.232% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.32, residual support = 160.1:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.01  97.886% * 99.2019% (0.18  10.0   5.32 160.16) =  99.990%  kept
          HA    ALA   20 - HN    LYS+ 102  20.61 +/- 5.07   1.471% *  0.5652% (1.00   1.0   0.02   0.02) =   0.009%
          HA    LEU   71 - HN    LYS+ 102  17.17 +/- 3.25   0.642% *  0.2329% (0.41   1.0   0.02   0.02) =   0.002%
    Distance limit 4.07 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   3.39 +/- 0.17  88.908% * 99.3899% (0.61  10.0   3.13  12.52) =  99.993%  kept
          HA    THR   26 - HN    LYS+ 102  20.90 +/- 5.38   0.989% *  0.1624% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    LYS+ 102  15.20 +/- 4.78   2.106% *  0.0674% (0.41   1.0   0.02   0.02) =   0.002%
          HA    GLU-  25 - HN    LYS+ 102  21.27 +/- 6.25   4.120% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+ 102  16.90 +/- 5.15   1.926% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    LYS+ 102  20.07 +/- 4.39   0.867% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  22.59 +/- 2.31   0.341% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.37 +/- 2.13   0.263% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  20.16 +/- 2.35   0.479% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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   2.99 +/- 0.51  95.656% * 99.6785% (0.28  10.0   3.13  12.52) =  99.993%  kept
          HB2   TRP   27 - HN    LYS+ 102  18.49 +/- 5.19   4.048% *  0.1607% (0.45   1.0   0.02   0.02) =   0.007%
          HD2   PRO   93 - HN    LYS+ 102  22.99 +/- 1.93   0.296% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.825, support = 0.02, residual support = 0.02:
          QB    GLU-  15 - HN    LYS+ 102  19.44 +/- 4.74  13.067% * 13.6482% (0.95   0.02   0.02) =  16.437%  kept
          HB3   GLU-  25 - HN    LYS+ 102  23.09 +/- 6.51  11.388% * 14.4279% (1.00   0.02   0.02) =  15.144%  kept
          HB    ILE   19 - HN    LYS+ 102  18.36 +/- 4.14  12.821% * 11.0262% (0.76   0.02   0.02) =  13.029%  kept
          QB    GLU- 114 - HN    LYS+ 102  19.69 +/- 1.80  10.798% * 12.0512% (0.84   0.02   0.02) =  11.994%  kept
          HB2   GLN   17 - HN    LYS+ 102  21.41 +/- 5.34   9.199% * 13.6482% (0.95   0.02   0.02) =  11.572%  kept
          HG2   PRO   68 - HN    LYS+ 102  20.41 +/- 4.68  12.535% *  9.9106% (0.69   0.02   0.02) =  11.450%  kept
          HB3   PRO   68 - HN    LYS+ 102  21.11 +/- 4.22   9.871% *  8.7509% (0.61   0.02   0.02) =   7.961%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  24.82 +/- 2.94   6.591% * 12.9393% (0.90   0.02   0.02) =   7.860%  kept
          HG3   GLN   30 - HN    LYS+ 102  18.10 +/- 3.86  13.730% *  3.5976% (0.25   0.02   0.02) =   4.553%  kept
    Distance limit 4.54 A violated in 20 structures by 7.51 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.976, support = 4.79, residual support = 159.1:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.54 +/- 0.18  85.853% * 92.4006% (0.98  10.0   4.81 160.16) =  99.213%  kept
          HG12  ILE  103 - HN    LYS+ 102   5.95 +/- 0.78   8.784% *  7.1254% (0.45   1.0   3.37  23.49) =   0.783%  kept
          HB    VAL   41 - HN    LYS+ 102  10.88 +/- 4.31   2.899% *  0.0572% (0.61   1.0   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    LYS+ 102  18.49 +/- 3.98   0.720% *  0.0755% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    LYS+ 102  16.63 +/- 4.53   0.531% *  0.0845% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+  65 - HN    LYS+ 102  19.21 +/- 2.72   0.272% *  0.0870% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  21.21 +/- 5.08   0.507% *  0.0354% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.42 +/- 2.30   0.152% *  0.0924% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  22.78 +/- 4.78   0.165% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  26.82 +/- 3.33   0.117% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 4.06, residual support = 120.9:
          HG2   LYS+ 102 - HN    LYS+ 102   3.47 +/- 0.44  58.362% * 59.7991% (0.28   4.57 160.16) =  75.244%  kept
          QB    LEU   98 - HN    LYS+ 102   4.59 +/- 0.99  34.421% * 33.2236% (0.28   2.54   1.61) =  24.655%  kept
          HG    LEU   80 - HN    LYS+ 102  20.17 +/- 4.51   0.681% *  0.9336% (0.99   0.02   0.02) =   0.014%
          QG    LYS+  66 - HN    LYS+ 102  19.10 +/- 4.01   1.180% *  0.5333% (0.57   0.02   0.02) =   0.014%
          HD3   LYS+ 121 - HN    LYS+ 102  16.78 +/- 7.26   1.122% *  0.5333% (0.57   0.02   0.02) =   0.013%
          QB    ALA   61 - HN    LYS+ 102  17.79 +/- 3.27   0.686% *  0.8447% (0.90   0.02   0.02) =   0.012%
          HG12  ILE   19 - HN    LYS+ 102  18.84 +/- 4.18   0.544% *  0.9398% (1.00   0.02   0.02) =   0.011%
          HB3   LEU   67 - HN    LYS+ 102  18.83 +/- 3.62   0.575% *  0.7198% (0.76   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    LYS+ 102  19.52 +/- 4.19   0.569% *  0.6840% (0.73   0.02   0.02) =   0.008%
          HG    LEU   73 - HN    LYS+ 102  16.56 +/- 4.08   1.023% *  0.3535% (0.38   0.02   0.02) =   0.008%
          QB    ALA  110 - HN    LYS+ 102  20.30 +/- 1.42   0.314% *  0.9398% (1.00   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    LYS+ 102  19.22 +/- 3.98   0.523% *  0.4956% (0.53   0.02   0.02) =   0.006%
    Distance limit 3.80 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 = 0.622, support = 1.33, residual support = 0.896:
          QD2   LEU  104 - HN    LYS+ 102   4.06 +/- 0.59  47.427% * 43.8257% (0.95   0.43   0.39) =  57.784%  kept
          QD1   LEU   98 - HN    LYS+ 102   5.16 +/- 1.44  30.680% * 48.7025% (0.18   2.60   1.61) =  41.540%  kept
          QG1   VAL   41 - HN    LYS+ 102   9.07 +/- 3.79  10.986% *  0.7289% (0.34   0.02   0.02) =   0.223%  kept
          QG2   VAL   18 - HN    LYS+ 102  16.97 +/- 4.19   4.755% *  1.6330% (0.76   0.02   0.02) =   0.216%  kept
          QG1   VAL   43 - HN    LYS+ 102  10.08 +/- 1.71   4.348% *  1.1242% (0.53   0.02   0.02) =   0.136%  kept
          QD1   ILE   19 - HN    LYS+ 102  15.89 +/- 3.49   1.178% *  2.1321% (1.00   0.02   0.02) =   0.070%
          QG2   THR   46 - HN    LYS+ 102  17.80 +/- 2.06   0.626% *  1.8536% (0.87   0.02   0.02) =   0.032%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.35, residual support = 40.1:
      O   HA    ILE   89 - HN    GLN   90   2.46 +/- 0.26  98.354% * 99.5753% (0.61  10.0   6.35  40.06) =  99.999%  kept
          HB    THR  118 - HN    GLN   90  15.69 +/- 2.60   0.483% *  0.1553% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   90  12.92 +/- 1.12   0.850% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  23.52 +/- 1.96   0.132% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  26.66 +/- 2.30   0.092% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  27.50 +/- 3.84   0.088% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 5.65, residual support = 88.8:
          QG    GLN   90 - HN    GLN   90   2.72 +/- 0.65  87.897% * 91.5698% (0.90   5.68  89.29) =  99.402%  kept
          HG3   MET   92 - HN    GLN   90   8.49 +/- 1.13   7.161% *  6.5985% (0.61   0.61   0.11) =   0.584%  kept
          HB2   ASP-  44 - HN    GLN   90  12.51 +/- 1.43   1.951% *  0.2610% (0.73   0.02   0.02) =   0.006%
          HG12  ILE  119 - HN    GLN   90  17.26 +/- 2.05   0.596% *  0.3562% (0.99   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    GLN   90  18.16 +/- 2.05   0.492% *  0.3002% (0.84   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    GLN   90  14.99 +/- 2.46   1.237% *  0.0896% (0.25   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    GLN   90  25.12 +/- 3.46   0.204% *  0.2746% (0.76   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLN   90  24.72 +/- 2.87   0.197% *  0.2610% (0.73   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    GLN   90  25.73 +/- 3.59   0.182% *  0.2180% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  31.81 +/- 4.03   0.084% *  0.0711% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.922, support = 5.58, residual support = 89.1:
      O   HB3   GLN   90 - HN    GLN   90   3.28 +/- 0.49  72.650% * 97.9478% (0.92  10.0   5.59  89.29) =  99.790%  kept
          HB2   MET   92 - HN    GLN   90   7.39 +/- 1.16  11.193% *  1.2055% (0.38   1.0   0.61   0.11) =   0.189%  kept
          QB    LYS+ 106 - HN    GLN   90   9.69 +/- 1.71   4.481% *  0.1040% (0.98   1.0   0.02   0.02) =   0.007%
          QB    LYS+  81 - HN    GLN   90   9.81 +/- 2.09   3.955% *  0.1024% (0.97   1.0   0.02   0.02) =   0.006%
          HB3   ASP- 105 - HN    GLN   90  15.47 +/- 2.31   1.942% *  0.0811% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    GLN   90  15.75 +/- 3.25   1.288% *  0.0920% (0.87   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    GLN   90  24.28 +/- 4.46   1.433% *  0.0686% (0.65   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   90  15.24 +/- 2.14   0.956% *  0.0729% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    GLN   90  17.93 +/- 3.55   0.866% *  0.0770% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    GLN   90  22.98 +/- 1.67   0.270% *  0.0920% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  21.25 +/- 2.51   0.367% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  27.06 +/- 1.88   0.178% *  0.0770% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  19.92 +/- 2.77   0.421% *  0.0236% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 7.21, residual support = 40.1:
          QG2   ILE   89 - HN    GLN   90   2.84 +/- 0.72 100.000% *100.0000% (0.65   7.21  40.06) = 100.000%  kept
    Distance limit 3.94 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 = 5.79, residual support = 40.0:
          QD1   ILE   89 - HN    GLN   90   4.52 +/- 0.43  73.146% * 99.5392% (0.49   5.80  40.06) =  99.938%  kept
          QG2   VAL   83 - HN    GLN   90   8.00 +/- 1.13  15.810% *  0.1760% (0.25   0.02   0.02) =   0.038%
          QG2   VAL   75 - HN    GLN   90  11.35 +/- 3.29   7.846% *  0.1760% (0.25   0.02   0.02) =   0.019%
          QG2   VAL   42 - HN    GLN   90  13.26 +/- 1.38   3.198% *  0.1089% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.48 A violated in 0 structures by 0.19 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 9.34:
      O   HA    ALA   88 - HN    ILE   89   3.27 +/- 0.30  77.977% * 99.4024% (0.99  10.0   4.11   9.34) =  99.988%  kept
          QB    SER   85 - HN    ILE   89   6.09 +/- 0.67  13.027% *  0.0223% (0.22   1.0   0.02   0.02) =   0.004%
          HA    SER   48 - HN    ILE   89  14.71 +/- 3.54   2.916% *  0.0968% (0.97   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    ILE   89  10.69 +/- 0.81   2.362% *  0.0649% (0.65   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ILE   89  16.60 +/- 2.57   0.725% *  0.0870% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    ILE   89  22.89 +/- 4.30   0.351% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  21.07 +/- 3.93   0.368% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  22.90 +/- 4.07   0.333% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  20.51 +/- 3.21   0.488% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  24.70 +/- 2.86   0.229% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  20.49 +/- 2.51   0.459% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  26.42 +/- 5.36   0.318% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  19.49 +/- 2.00   0.447% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.0, residual support = 216.5:
      O   HA    ILE   89 - HN    ILE   89   2.67 +/- 0.18  98.486% * 99.5011% (0.34  10.0   6.00 216.49) =  99.998%  kept
          HB    THR  118 - HN    ILE   89  16.49 +/- 3.11   0.567% *  0.2118% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    ILE   89  16.56 +/- 1.61   0.476% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  25.05 +/- 2.64   0.129% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  21.92 +/- 2.10   0.189% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  26.67 +/- 4.10   0.153% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 216.5:
      O   HB    ILE   89 - HN    ILE   89   2.77 +/- 0.60  92.098% * 99.6919% (0.45  10.0   5.57 216.49) =  99.991%  kept
          HB    VAL   43 - HN    ILE   89   9.25 +/- 1.66   4.344% *  0.1170% (0.53   1.0   0.02   0.02) =   0.006%
          QD    LYS+  81 - HN    ILE   89  10.18 +/- 1.46   2.809% *  0.0997% (0.45   1.0   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HN    ILE   89  17.67 +/- 2.29   0.749% *  0.0914% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.29 A violated in 0 structures by 0.07 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.76, residual support = 216.5:
          HG12  ILE   89 - HN    ILE   89   2.40 +/- 0.52  92.427% * 97.9146% (0.76   5.76 216.49) =  99.983%  kept
          QB    ALA   91 - HN    ILE   89   7.03 +/- 0.59   4.995% *  0.1374% (0.31   0.02   7.66) =   0.008%
          HG2   LYS+  74 - HN    ILE   89  15.58 +/- 2.50   0.813% *  0.3860% (0.87   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    ILE   89  16.03 +/- 3.31   0.452% *  0.3057% (0.69   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ILE   89  19.56 +/- 2.81   0.369% *  0.3717% (0.84   0.02   0.02) =   0.002%
          HG    LEU   71 - HN    ILE   89  21.95 +/- 3.38   0.291% *  0.3991% (0.90   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   89  21.71 +/- 2.87   0.196% *  0.2879% (0.65   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   89  18.44 +/- 1.92   0.346% *  0.1374% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   89  26.06 +/- 2.49   0.111% *  0.0602% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 6.55, residual support = 216.2:
          QG2   ILE   89 - HN    ILE   89   3.37 +/- 0.53  87.913% * 98.9314% (1.00   6.56 216.49) =  99.876%  kept
          QG1   VAL   83 - HN    ILE   89   7.25 +/- 0.62  10.520% *  1.0220% (0.53   0.13   0.02) =   0.123%  kept
          QD1   LEU  104 - HN    ILE   89  14.50 +/- 1.76   1.567% *  0.0465% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.52, residual support = 216.5:
          HG13  ILE   89 - HN    ILE   89   3.53 +/- 0.57 100.000% *100.0000% (0.90   5.52 216.49) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.08 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 12.1:
      O   HA    ALA   88 - HN    ALA   88   2.26 +/- 0.14  96.858% * 99.0917% (0.84  10.0   1.63  12.06) =  99.996%  kept
          HB2   SER   82 - HN    ALA   88   9.40 +/- 0.75   1.426% *  0.1303% (0.90   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    ALA   88  16.47 +/- 3.88   0.748% *  0.1425% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ALA   88  18.77 +/- 2.62   0.201% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  22.91 +/- 5.17   0.139% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  22.21 +/- 4.35   0.131% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  22.91 +/- 5.10   0.135% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  24.93 +/- 3.62   0.085% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  21.63 +/- 2.13   0.143% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  21.67 +/- 2.72   0.132% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 2.07, residual support = 12.0:
      O   QB    ALA   88 - HN    ALA   88   2.89 +/- 0.18  74.663% * 98.4021% (0.73  10.0   2.07  12.06) =  99.825%  kept
          QB    ALA   84 - HN    ALA   88   4.95 +/- 0.52  16.483% *  0.7461% (0.15   1.0   0.71   0.02) =   0.167%  kept
          HB3   LEU   80 - HN    ALA   88  10.28 +/- 1.13   1.852% *  0.0931% (0.69   1.0   0.02   0.02) =   0.002%
          QG2   THR   77 - HN    ALA   88  10.40 +/- 3.06   3.139% *  0.0462% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ALA   88  19.78 +/- 5.56   0.449% *  0.1132% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   88  18.27 +/- 3.65   0.393% *  0.1215% (0.90   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   88  20.00 +/- 2.64   0.343% *  0.1355% (1.00   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   88  13.01 +/- 2.31   1.506% *  0.0302% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   88  14.33 +/- 1.18   0.676% *  0.0608% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   88  19.38 +/- 1.59   0.259% *  0.0767% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  25.85 +/- 2.67   0.123% *  0.1328% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  25.77 +/- 2.76   0.114% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.14, residual support = 70.6:
      O   HB2   TRP   87 - HN    TRP   87   3.64 +/- 0.27  96.052% * 99.8429% (0.73  10.0   4.14  70.64) =  99.998%  kept
          HB    THR   46 - HN    TRP   87  13.79 +/- 1.93   2.506% *  0.0469% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   PHE   60 - HN    TRP   87  18.19 +/- 2.17   0.956% *  0.0889% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    TRP   87  22.76 +/- 3.98   0.486% *  0.0212% (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 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.97, residual support = 22.7:
          HB2   ASP-  86 - HN    TRP   87   2.80 +/- 0.30  94.605% * 97.4994% (0.80   3.97  22.69) =  99.979%  kept
          QE    LYS+  65 - HN    TRP   87  19.49 +/- 4.06   1.153% *  0.5924% (0.97   0.02   0.02) =   0.007%
          HB2   ASN   28 - HN    TRP   87  19.09 +/- 6.19   0.708% *  0.6138% (1.00   0.02   0.02) =   0.005%
          HB2   ASP-  78 - HN    TRP   87  13.48 +/- 1.74   1.216% *  0.3229% (0.53   0.02   0.02) =   0.004%
          QE    LYS+  33 - HN    TRP   87  20.53 +/- 3.09   0.315% *  0.6016% (0.98   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HN    TRP   87  11.97 +/- 1.98   1.752% *  0.0947% (0.15   0.02   0.02) =   0.002%
          HB2   ASN   35 - HN    TRP   87  23.48 +/- 4.76   0.250% *  0.2752% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.84 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   2.90 +/- 0.20  99.272% * 99.8532% (1.00  10.0   4.01  70.64) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  20.97 +/- 6.35   0.492% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  22.83 +/- 1.65   0.235% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.527, support = 2.22, residual support = 4.94:
          QB    ALA   88 - HN    TRP   87   4.41 +/- 0.14  80.165% * 96.6632% (0.53   2.23   4.96) =  99.700%  kept
          QG2   THR   77 - HN    TRP   87   9.62 +/- 2.73  13.425% *  1.4796% (0.90   0.02   0.02) =   0.256%  kept
          QG2   THR   23 - HN    TRP   87  17.19 +/- 4.36   2.407% *  0.8680% (0.53   0.02   0.02) =   0.027%
          QB    ALA   34 - HN    TRP   87  16.15 +/- 3.02   2.198% *  0.3673% (0.22   0.02   0.02) =   0.010%
          HG2   LYS+  99 - HN    TRP   87  18.72 +/- 2.19   1.257% *  0.2546% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    TRP   87  24.37 +/- 2.87   0.548% *  0.3673% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.55 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 = 0.82, support = 2.0, residual support = 18.2:
          QD1   ILE   89 - HN    TRP   87   4.18 +/- 0.86  50.176% * 70.3837% (0.76   2.46  18.93) =  72.214%  kept
          QG2   VAL   83 - HN    TRP   87   4.33 +/- 0.42  46.843% * 28.9675% (0.97   0.80  16.35) =  27.746%  kept
          QD2   LEU   31 - HN    TRP   87  13.76 +/- 4.36   2.981% *  0.6489% (0.87   0.02   1.72) =   0.040%
    Distance limit 4.32 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 = 0.539, support = 1.16, residual support = 17.2:
          QG2   VAL   83 - HE1   TRP   87   2.25 +/- 0.55  84.080% * 28.0445% (0.45   0.98  16.35) =  67.303%  kept
          QD1   ILE   89 - HE1   TRP   87   5.03 +/- 0.80  15.920% * 71.9555% (0.73   1.55  18.93) =  32.697%  kept
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.76, support = 3.24, residual support = 13.0:
          QB    SER   85 - HN    ASP-  86   2.95 +/- 0.08  70.198% * 82.6661% (0.76   3.33  13.45) =  96.847%  kept
          HA    ALA   88 - HN    ASP-  86   5.23 +/- 0.45  13.325% * 12.7533% (0.69   0.57   0.02) =   2.836%  kept
          HB2   SER   82 - HN    ASP-  86   6.02 +/- 0.72  10.388% *  1.6820% (0.15   0.34   0.02) =   0.292%  kept
          HA2   GLY   16 - HN    ASP-  86  26.56 +/- 6.54   0.624% *  0.4968% (0.76   0.02   0.02) =   0.005%
          HA    SER   48 - HN    ASP-  86  16.61 +/- 3.77   1.054% *  0.2915% (0.45   0.02   0.02) =   0.005%
          QB    SER   48 - HN    ASP-  86  14.78 +/- 3.81   1.529% *  0.1447% (0.22   0.02   0.02) =   0.004%
          HB    THR   94 - HN    ASP-  86  10.25 +/- 1.07   1.864% *  0.1003% (0.15   0.02   0.02) =   0.003%
          HD2   PRO   52 - HN    ASP-  86  19.70 +/- 2.57   0.281% *  0.5830% (0.90   0.02   0.02) =   0.003%
          HA    GLN   32 - HN    ASP-  86  21.79 +/- 6.07   0.323% *  0.4721% (0.73   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    ASP-  86  21.66 +/- 3.19   0.237% *  0.5430% (0.84   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ASP-  86  26.19 +/- 3.53   0.177% *  0.2673% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   2.87 +/- 0.16  98.105% * 95.3192% (0.61   2.25  10.79) =  99.980%  kept
          HB2   CYS   53 - HN    ASP-  86  19.56 +/- 3.09   0.530% *  1.3481% (0.97   0.02   0.02) =   0.008%
          HA    GLU- 100 - HN    ASP-  86  19.54 +/- 2.55   0.429% *  0.7909% (0.57   0.02   0.02) =   0.004%
          HA    GLN   30 - HN    ASP-  86  20.88 +/- 4.74   0.372% *  0.8473% (0.61   0.02   0.02) =   0.003%
          HD3   PRO   52 - HN    ASP-  86  20.44 +/- 2.77   0.328% *  0.7350% (0.53   0.02   0.02) =   0.003%
          HD2   PRO   58 - HN    ASP-  86  22.77 +/- 2.31   0.237% *  0.9596% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.03, residual support = 42.5:
      O   HB2   ASP-  86 - HN    ASP-  86   2.48 +/- 0.36  95.620% * 99.6258% (0.98  10.0   5.03  42.54) =  99.998%  kept
          HB2   ASP-  78 - HN    ASP-  86  12.73 +/- 1.89   2.781% *  0.0283% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    ASP-  86  18.86 +/- 7.07   0.798% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASP-  86  20.29 +/- 4.18   0.355% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  20.90 +/- 3.72   0.242% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  24.24 +/- 5.29   0.204% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.77 +/- 0.60  96.456% * 99.2823% (0.41  10.0   3.55  42.54) =  99.992%  kept
          HG3   MET   96 - HN    ASP-  86  10.93 +/- 1.56   2.389% *  0.2394% (0.99   1.0   0.02   0.02) =   0.006%
          HB3   ASP-  62 - HN    ASP-  86  20.87 +/- 3.31   0.618% *  0.2017% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    ASP-  86  26.97 +/- 4.64   0.150% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  22.05 +/- 6.65   0.387% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 18.0:
      O   QB    SER   85 - HN    SER   85   2.17 +/- 0.10  84.154% * 99.3113% (0.76  10.0   3.15  18.03) =  99.989%  kept
          HA    ALA   88 - HN    SER   85   5.23 +/- 0.80   6.995% *  0.0893% (0.69   1.0   0.02   0.02) =   0.007%
          HB2   SER   82 - HN    SER   85   5.60 +/- 0.30   5.044% *  0.0201% (0.15   1.0   0.02   2.89) =   0.001%
          HA    SER   48 - HN    SER   85  15.45 +/- 4.25   0.965% *  0.0583% (0.45   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    SER   85  13.63 +/- 4.18   1.267% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  18.81 +/- 3.20   0.166% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  10.17 +/- 1.34   0.949% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  27.29 +/- 6.18   0.159% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  21.81 +/- 3.37   0.113% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  23.18 +/- 5.69   0.110% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  26.59 +/- 3.15   0.079% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.60 +/- 0.02  93.388% * 99.3529% (0.49  10.0   3.27  20.66) =  99.992%  kept
          HA    VAL   75 - HN    SER   85  12.38 +/- 1.83   2.642% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    SER   85  18.79 +/- 3.50   0.942% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    SER   85  22.21 +/- 3.56   0.763% *  0.1238% (0.61   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    SER   85  16.94 +/- 3.31   1.302% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    SER   85  22.82 +/- 2.97   0.522% *  0.1560% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    SER   85  22.33 +/- 1.99   0.440% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.63 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   2.68 +/- 0.15  88.371% * 96.0221% (1.00   3.98  20.66) =  99.962%  kept
          HB3   LEU   80 - HN    SER   85   7.12 +/- 0.93   5.767% *  0.2543% (0.53   0.02   0.02) =   0.017%
          HG    LEU   98 - HN    SER   85  14.72 +/- 2.53   0.914% *  0.4665% (0.97   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    SER   85  14.72 +/- 1.63   0.656% *  0.4834% (1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    SER   85  14.56 +/- 2.49   0.791% *  0.2932% (0.61   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    SER   85  14.66 +/- 1.45   0.604% *  0.3694% (0.76   0.02   0.02) =   0.003%
          HB3   LEU   73 - HN    SER   85  16.70 +/- 2.53   0.451% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    SER   85  19.90 +/- 5.95   0.413% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    SER   85  19.69 +/- 3.78   0.375% *  0.1987% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    SER   85  19.90 +/- 1.73   0.238% *  0.3127% (0.65   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    SER   85  26.93 +/- 3.25   0.135% *  0.4335% (0.90   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    SER   85  17.67 +/- 1.37   0.333% *  0.1492% (0.31   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   85  21.83 +/- 2.86   0.200% *  0.2353% (0.49   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    SER   85  20.05 +/- 3.58   0.285% *  0.1492% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    SER   85  21.96 +/- 4.05   0.281% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  23.00 +/- 4.28   0.188% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 3.8, residual support = 17.5:
      O   HA    ALA   84 - HN    ALA   84   2.74 +/- 0.04  95.535% * 99.3529% (0.49  10.0   3.80  17.49) =  99.995%  kept
          HA    VAL   75 - HN    ALA   84   9.89 +/- 1.91   2.545% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    ALA   84  17.66 +/- 3.31   0.499% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    ALA   84  21.49 +/- 2.90   0.286% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  21.35 +/- 3.29   0.349% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  17.06 +/- 2.87   0.513% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  20.70 +/- 2.31   0.273% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 40.2:
          HB    VAL   83 - HN    ALA   84   3.40 +/- 0.29  87.069% * 97.8504% (0.99   5.33  40.18) =  99.970%  kept
          QD    LYS+  65 - HN    ALA   84  17.90 +/- 4.25   1.773% *  0.3573% (0.97   0.02   0.02) =   0.007%
          HB2   LYS+ 121 - HN    ALA   84  22.33 +/- 4.36   1.498% *  0.3502% (0.95   0.02   0.02) =   0.006%
          HD2   LYS+  74 - HN    ALA   84  13.92 +/- 2.79   2.271% *  0.1522% (0.41   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    ALA   84  14.39 +/- 2.05   1.694% *  0.1948% (0.53   0.02   0.02) =   0.004%
          QD    LYS+ 102 - HN    ALA   84  17.69 +/- 3.17   0.923% *  0.2688% (0.73   0.02   0.02) =   0.003%
          HB3   MET   92 - HN    ALA   84  12.94 +/- 2.31   2.204% *  0.0648% (0.18   0.02   0.02) =   0.002%
          QD    LYS+  38 - HN    ALA   84  23.22 +/- 2.81   0.333% *  0.3669% (0.99   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    ALA   84  17.26 +/- 2.98   1.016% *  0.0648% (0.18   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    ALA   84  26.57 +/- 3.33   0.300% *  0.1802% (0.49   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA   84  20.99 +/- 3.36   0.473% *  0.0923% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ALA   84  21.34 +/- 3.50   0.447% *  0.0571% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.12 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.11, residual support = 17.5:
      O   QB    ALA   84 - HN    ALA   84   2.02 +/- 0.08  85.200% * 98.7027% (0.87  10.0   4.11  17.49) =  99.946%  kept
          HB3   LEU   80 - HN    ALA   84   4.70 +/- 1.05  11.535% *  0.3751% (0.28   1.0   0.24   0.02) =   0.051%
          HB3   PRO   93 - HN    ALA   84  13.59 +/- 1.98   0.394% *  0.1020% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  14.22 +/- 2.59   0.372% *  0.0987% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  13.88 +/- 2.53   0.400% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  12.72 +/- 1.77   0.554% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  14.50 +/- 2.57   0.296% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  19.49 +/- 3.99   0.171% *  0.0782% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  19.67 +/- 4.03   0.200% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  16.00 +/- 1.49   0.187% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  20.84 +/- 2.74   0.092% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  17.95 +/- 1.96   0.138% *  0.0427% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  21.31 +/- 4.28   0.104% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  25.80 +/- 3.41   0.071% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  18.43 +/- 5.73   0.232% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  26.06 +/- 4.13   0.054% *  0.0199% (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 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.693, support = 5.71, residual support = 39.2:
          QG1   VAL   83 - HN    ALA   84   4.07 +/- 0.38  63.938% * 93.3297% (0.69   5.85  40.18) =  97.531%  kept
          QD2   LEU   80 - HN    ALA   84   5.69 +/- 0.71  28.478% *  5.2136% (0.95   0.24   0.02) =   2.427%  kept
          QD1   LEU   73 - HN    ALA   84  12.39 +/- 2.86   3.325% *  0.2819% (0.61   0.02   0.02) =   0.015%
          QD1   LEU  104 - HN    ALA   84  16.14 +/- 2.41   1.610% *  0.4638% (1.00   0.02   0.02) =   0.012%
          QD2   LEU  115 - HN    ALA   84  16.50 +/- 1.41   1.072% *  0.4291% (0.92   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    ALA   84  15.12 +/- 2.48   1.577% *  0.2819% (0.61   0.02   0.02) =   0.007%
    Distance limit 4.04 A violated in 0 structures by 0.04 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.752, support = 5.97, residual support = 39.0:
          QG2   VAL   83 - HN    ALA   84   2.79 +/- 0.78  67.680% * 87.7347% (0.76   6.19  40.18) =  95.496%  kept
          QD1   ILE   89 - HN    ALA   84   5.60 +/- 1.30  23.608% * 11.8124% (0.49   1.31  13.35) =   4.485%  kept
          QD2   LEU   31 - HN    ALA   84  13.64 +/- 4.48   1.634% *  0.3703% (1.00   0.02   0.02) =   0.010%
          QG2   VAL   43 - HN    ALA   84   8.24 +/- 1.96   7.078% *  0.0826% (0.22   0.02   0.02) =   0.009%
    Distance limit 3.97 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 = 19.0:
          HB2   SER   82 - HN    VAL   83   3.28 +/- 0.52  88.506% * 97.0042% (0.75   4.09  19.05) =  99.957%  kept
          HA    ALA   88 - HN    VAL   83   9.19 +/- 0.72   5.012% *  0.2686% (0.43   0.02   0.02) =   0.016%
          HA    SER   48 - HN    VAL   83  15.29 +/- 4.16   1.691% *  0.3798% (0.60   0.02   0.02) =   0.007%
          HA    VAL   18 - HN    VAL   83  19.22 +/- 5.67   1.180% *  0.4702% (0.75   0.02   0.02) =   0.006%
          HA    GLU-  29 - HN    VAL   83  19.72 +/- 6.64   0.945% *  0.4650% (0.74   0.02   0.02) =   0.005%
          HA    LYS+  33 - HN    VAL   83  22.80 +/- 5.42   0.453% *  0.4254% (0.68   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    VAL   83  21.05 +/- 6.40   0.754% *  0.2496% (0.40   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    VAL   83  20.83 +/- 2.74   0.461% *  0.2877% (0.46   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    VAL   83  23.50 +/- 2.29   0.414% *  0.2877% (0.46   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    VAL   83  19.19 +/- 3.23   0.584% *  0.1618% (0.26   0.02   0.02) =   0.001%
    Distance limit 4.35 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 = 85.4:
      O   HA    VAL   83 - HN    VAL   83   2.80 +/- 0.03  97.963% * 99.4506% (0.46  10.0   4.70  85.37) =  99.998%  kept
          HB2   CYS   53 - HN    VAL   83  18.87 +/- 3.19   0.556% *  0.1582% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    VAL   83  19.16 +/- 5.62   0.532% *  0.0995% (0.46   1.0   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    VAL   83  20.22 +/- 3.03   0.340% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.98 +/- 3.56   0.355% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  22.17 +/- 2.87   0.253% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 85.4:
      O   HB    VAL   83 - HN    VAL   83   2.34 +/- 0.55  94.729% * 99.4176% (0.75  10.0   4.77  85.37) =  99.997%  kept
          HB2   LYS+ 121 - HN    VAL   83  23.40 +/- 5.19   0.824% *  0.0949% (0.71   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    VAL   83  18.29 +/- 4.17   0.682% *  0.0968% (0.73   1.0   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    VAL   83  13.86 +/- 2.94   1.140% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  18.06 +/- 3.51   0.512% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.32 +/- 1.91   0.440% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  22.92 +/- 3.50   0.150% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  14.95 +/- 2.05   0.765% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  27.58 +/- 4.32   0.125% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  18.23 +/- 3.31   0.295% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  22.95 +/- 3.35   0.173% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  23.32 +/- 3.43   0.166% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.381, support = 0.02, residual support = 0.0775:
          HB2   LEU   80 - HN    VAL   83   4.17 +/- 0.77  68.432% *  2.8578% (0.19   0.02   0.14) =  46.191%  kept
          QB    LEU   98 - HN    VAL   83  13.31 +/- 2.26   4.795% *  7.8727% (0.52   0.02   0.02) =   8.917%  kept
          HB3   LEU   73 - HN    VAL   83  14.23 +/- 3.07   2.873% *  9.9416% (0.65   0.02   0.02) =   6.747%  kept
          HD3   LYS+ 121 - HN    VAL   83  23.79 +/- 5.79   6.410% *  4.3014% (0.28   0.02   0.02) =   6.512%  kept
          HG3   LYS+  65 - HN    VAL   83  20.05 +/- 4.05   2.429% * 10.5799% (0.70   0.02   0.02) =   6.069%  kept
          HG3   LYS+ 106 - HN    VAL   83  15.53 +/- 2.95   2.988% *  7.4142% (0.49   0.02   0.02) =   5.232%  kept
          HB    VAL   42 - HN    VAL   83  16.47 +/- 2.03   1.784% * 10.5799% (0.70   0.02   0.02) =   4.457%  kept
          HB3   LYS+  74 - HN    VAL   83  13.51 +/- 2.80   3.889% *  4.7118% (0.31   0.02   0.02) =   4.328%  kept
          HG3   LYS+  33 - HN    VAL   83  20.53 +/- 5.39   1.588% * 11.0607% (0.73   0.02   0.02) =   4.150%  kept
          HG3   LYS+ 102 - HN    VAL   83  19.87 +/- 4.29   1.825% *  9.5730% (0.63   0.02   0.02) =   4.126%  kept
          QB    ALA   12 - HN    VAL   83  25.36 +/- 4.53   0.502% * 10.5799% (0.70   0.02   0.02) =   1.254%  kept
          HB2   LYS+ 112 - HN    VAL   83  22.58 +/- 2.84   0.593% *  8.7588% (0.58   0.02   0.02) =   1.227%  kept
          HB3   PRO   93 - HN    VAL   83  15.41 +/- 1.93   1.893% *  1.7684% (0.12   0.02   0.02) =   0.790%  kept
    Distance limit 3.87 A violated in 1 structures by 0.46 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 = 0.721, support = 5.1, residual support = 79.9:
          QG1   VAL   83 - HN    VAL   83   2.88 +/- 0.61  62.658% * 86.4193% (0.75   5.33  85.37) =  93.631%  kept
          QD2   LEU   80 - HN    VAL   83   4.36 +/- 0.89  31.097% * 11.5417% (0.31   1.72   0.14) =   6.206%  kept
          QG2   ILE   89 - HN    VAL   83   7.21 +/- 0.82   5.422% *  1.7047% (0.46   0.17   0.02) =   0.160%  kept
          QD1   LEU  104 - HN    VAL   83  16.68 +/- 2.55   0.480% *  0.2115% (0.49   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    VAL   83  17.75 +/- 1.71   0.342% *  0.1227% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.21 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 = 5.16, residual support = 84.6:
          QG2   VAL   83 - HN    VAL   83   3.01 +/- 0.55  84.773% * 93.5452% (0.74   5.20  85.37) =  99.099%  kept
          QD1   ILE   89 - HN    VAL   83   7.26 +/- 1.22  11.433% *  6.2324% (0.73   0.35   0.02) =   0.890%  kept
          QD2   LEU   31 - HN    VAL   83  13.02 +/- 5.19   3.794% *  0.2225% (0.46   0.02   0.02) =   0.011%
    Distance limit 4.10 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 = 33.2:
      O   HB2   SER   82 - HN    SER   82   2.80 +/- 0.53  91.723% * 99.3063% (0.87  10.0   4.00  33.24) =  99.995%  kept
          HA    SER   48 - HN    SER   82  15.23 +/- 4.79   2.530% *  0.0557% (0.49   1.0   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    SER   82  10.28 +/- 0.97   2.571% *  0.0318% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    SER   82  21.22 +/- 6.83   0.610% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    SER   82  20.63 +/- 5.70   0.486% *  0.1057% (0.92   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    SER   82  24.50 +/- 5.75   0.419% *  0.1142% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    SER   82  22.76 +/- 2.47   0.288% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  24.88 +/- 2.49   0.165% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  22.87 +/- 6.56   0.460% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  19.54 +/- 3.92   0.499% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  25.28 +/- 3.60   0.250% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.39, residual support = 33.2:
      O   HB3   SER   82 - HN    SER   82   2.73 +/- 0.57  96.165% * 99.2682% (0.69  10.0   3.40  33.24) =  99.996%  kept
          HA    ILE   89 - HN    SER   82  11.44 +/- 0.89   1.837% *  0.1445% (1.00   1.0   0.02   0.02) =   0.003%
          HB    THR  118 - HN    SER   82  22.68 +/- 2.92   0.318% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  23.34 +/- 3.34   0.249% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  25.27 +/- 4.99   0.253% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  25.92 +/- 3.94   0.172% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  20.22 +/- 4.27   0.549% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  20.73 +/- 5.81   0.457% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.55, residual support = 13.3:
          QB    LYS+  81 - HN    SER   82   3.19 +/- 0.31  88.896% * 96.3524% (0.97   4.55  13.26) =  99.958%  kept
          HB3   GLN   90 - HN    SER   82  12.01 +/- 2.90   2.621% *  0.4051% (0.92   0.02   0.02) =   0.012%
          QB    LYS+ 106 - HN    SER   82  15.53 +/- 2.16   1.458% *  0.4301% (0.98   0.02   0.02) =   0.007%
          HB3   ASP- 105 - HN    SER   82  20.97 +/- 3.41   1.144% *  0.3353% (0.76   0.02   0.02) =   0.004%
          QB    LYS+  33 - HN    SER   82  20.91 +/- 4.95   0.920% *  0.3806% (0.87   0.02   0.02) =   0.004%
          HB2   MET   92 - HN    SER   82  15.25 +/- 2.85   1.694% *  0.1647% (0.38   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    SER   82  18.70 +/- 3.58   0.865% *  0.3014% (0.69   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    SER   82  18.52 +/- 5.63   0.785% *  0.2309% (0.53   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    SER   82  22.75 +/- 3.90   0.541% *  0.3186% (0.73   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    SER   82  21.90 +/- 2.63   0.357% *  0.3806% (0.87   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    SER   82  26.37 +/- 2.97   0.229% *  0.2839% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    SER   82  26.98 +/- 3.83   0.187% *  0.3186% (0.73   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    SER   82  24.34 +/- 3.39   0.304% *  0.0977% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.891, support = 3.81, residual support = 15.1:
          QG1   VAL   83 - HN    SER   82   4.97 +/- 0.71  37.578% * 81.7135% (0.95   4.48  19.05) =  78.895%  kept
          QD2   LEU   80 - HN    SER   82   4.42 +/- 1.07  47.296% * 17.3207% (0.69   1.31   0.37) =  21.048%  kept
          QG2   ILE   89 - HN    SER   82   8.33 +/- 1.15   9.479% *  0.1317% (0.34   0.02   0.02) =   0.032%
          QD1   LEU   73 - HN    SER   82  13.41 +/- 3.24   2.940% *  0.1191% (0.31   0.02   0.02) =   0.009%
          QD1   LEU  104 - HN    SER   82  18.53 +/- 2.78   0.848% *  0.3462% (0.90   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    SER   82  18.90 +/- 1.76   0.684% *  0.2497% (0.65   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    SER   82  17.16 +/- 2.70   1.175% *  0.1191% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.43 A violated in 0 structures by 0.08 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 105.0:
      O   QB    LYS+  81 - HN    LYS+  81   2.23 +/- 0.23  95.003% * 99.1460% (0.97  10.0   5.76 104.99) =  99.996%  kept
          HB3   GLN   90 - HN    LYS+  81  12.18 +/- 3.26   0.966% *  0.0948% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    LYS+  81  20.91 +/- 4.78   0.591% *  0.0891% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  81  15.83 +/- 2.00   0.433% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  14.38 +/- 3.63   1.004% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  21.01 +/- 3.59   0.451% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  21.08 +/- 4.26   0.425% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  19.37 +/- 3.85   0.293% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  18.30 +/- 5.30   0.357% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  20.72 +/- 2.57   0.160% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  27.19 +/- 3.87   0.092% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  25.50 +/- 2.95   0.093% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  23.11 +/- 3.49   0.134% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 5.18, residual support = 105.0:
          QG    LYS+  81 - HN    LYS+  81   2.79 +/- 0.61  96.490% * 98.8281% (0.97   5.18 104.99) =  99.993%  kept
          HD3   LYS+  74 - HN    LYS+  81  13.45 +/- 2.51   1.604% *  0.1349% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+ 106 - HN    LYS+  81  18.14 +/- 2.76   0.542% *  0.3650% (0.92   0.02   0.02) =   0.002%
          HG2   LYS+  33 - HN    LYS+  81  22.37 +/- 5.26   0.401% *  0.3740% (0.95   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HN    LYS+  81  22.10 +/- 3.36   0.319% *  0.1220% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  21.97 +/- 3.87   0.340% *  0.0880% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  25.48 +/- 4.49   0.303% *  0.0880% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.432, support = 5.81, residual support = 40.5:
          QD2   LEU   80 - HN    LYS+  81   4.04 +/- 1.15  40.034% * 77.5849% (0.53   5.97  40.48) =  74.595%  kept
          QD1   LEU   80 - HN    LYS+  81   3.65 +/- 0.99  51.564% * 20.4690% (0.15   5.37  40.48) =  25.348%  kept
          QD1   LEU   73 - HN    LYS+  81  13.01 +/- 2.94   2.436% *  0.4434% (0.90   0.02   0.02) =   0.026%
          QD1   LEU   63 - HN    LYS+  81  16.32 +/- 2.67   0.919% *  0.4434% (0.90   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    LYS+  81  16.25 +/- 2.08   0.768% *  0.4130% (0.84   0.02   0.02) =   0.008%
          QG2   VAL   41 - HN    LYS+  81  14.98 +/- 3.02   1.203% *  0.1375% (0.28   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    LYS+  81  18.16 +/- 1.76   0.547% *  0.2799% (0.57   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    LYS+  81  13.98 +/- 2.93   1.948% *  0.0763% (0.15   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    LYS+  81  18.69 +/- 3.04   0.583% *  0.1526% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.571, support = 3.77, residual support = 15.3:
          HB2   ASP-  78 - HN    GLU-  79   3.20 +/- 0.53  42.350% * 73.9758% (0.60   4.58  20.59) =  70.263%  kept
          HB2   ASP-  76 - HN    GLU-  79   2.89 +/- 0.76  52.302% * 25.3403% (0.51   1.84   2.70) =  29.724%  kept
          QE    LYS+  65 - HN    GLU-  79  14.11 +/- 4.64   3.112% *  0.0916% (0.17   0.02   0.02) =   0.006%
          QE    LYS+  33 - HN    GLU-  79  18.97 +/- 3.57   0.808% *  0.1733% (0.32   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    GLU-  79  11.32 +/- 1.41   1.014% *  0.0446% (0.08   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    GLU-  79  17.64 +/- 3.60   0.269% *  0.1354% (0.25   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    GLU-  79  22.41 +/- 2.89   0.145% *  0.2391% (0.44   0.02   0.02) =   0.001%
    Distance limit 3.54 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 = 4.28, residual support = 56.6:
      O   HB2   GLU-  79 - HN    GLU-  79   2.72 +/- 0.38  96.058% * 98.3341% (0.09  10.0   4.28  56.65) =  99.987%  kept
          HB2   PRO   58 - HN    GLU-  79  18.99 +/- 3.68   0.945% *  0.5103% (0.49   1.0   0.02   0.02) =   0.005%
          HG2   PRO   52 - HN    GLU-  79  16.35 +/- 4.80   1.132% *  0.2857% (0.27   1.0   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HN    GLU-  79  18.68 +/- 3.88   0.469% *  0.4123% (0.39   1.0   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    GLU-  79  17.95 +/- 3.02   0.841% *  0.2174% (0.21   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    GLU-  79  22.64 +/- 3.11   0.230% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  22.86 +/- 4.28   0.327% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 4.13, residual support = 56.7:
      O   HB3   GLU-  79 - HN    GLU-  79   2.79 +/- 0.57  96.056% * 99.6469% (0.59  10.0   4.13  56.65) =  99.997%  kept
          HB2   GLN   90 - HN    GLU-  79  14.02 +/- 3.83   2.103% *  0.0789% (0.47   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    GLU-  79  20.13 +/- 3.60   0.539% *  0.0953% (0.56   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  79  22.45 +/- 3.20   0.443% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  19.84 +/- 3.63   0.525% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  25.60 +/- 3.55   0.334% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 3.95, residual support = 39.6:
      O   HB3   ASP-  78 - HN    ASP-  78   2.67 +/- 0.60  87.284% * 98.7733% (0.49  10.0   3.95  39.63) =  99.904%  kept
          QE    LYS+  74 - HN    ASP-  78   8.57 +/- 1.99   8.958% *  0.8544% (0.98   1.0   0.09   0.02) =   0.089%
          QB    CYS   50 - HN    ASP-  78  11.79 +/- 4.65   2.674% *  0.1958% (0.97   1.0   0.02   0.02) =   0.006%
          HB3   ASN   69 - HN    ASP-  78  21.80 +/- 2.39   0.300% *  0.1313% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   PHE   72 - HN    ASP-  78  14.41 +/- 0.93   0.783% *  0.0452% (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 820 (2.91, 8.52, 119.25 ppm):
    7 chemical-shift based assignments, quality = 0.966, support = 5.33, residual support = 36.3:
      O   HB2   ASP-  78 - HN    ASP-  78   2.76 +/- 0.46  63.691% * 81.7820% (0.98  10.0   5.34  39.63) =  90.435%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.99 +/- 0.81  30.520% * 18.0447% (0.84   1.0   5.18   4.59) =   9.562%  kept
          QE    LYS+  33 - HN    ASP-  78  19.55 +/- 3.84   1.835% *  0.0439% (0.53   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASP-  78  13.61 +/- 4.70   1.960% *  0.0232% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ASP-  78  12.23 +/- 1.71   1.529% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  18.56 +/- 3.01   0.324% *  0.0343% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  22.25 +/- 2.75   0.140% *  0.0606% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.73, residual support = 28.3:
      O   HA    THR   77 - HN    ASP-  78   3.52 +/- 0.07  92.176% * 99.9219% (0.92  10.0   4.73  28.32) =  99.998%  kept
          HD2   PRO   93 - HN    ASP-  78  13.51 +/- 3.95   4.068% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    ASP-  78  14.04 +/- 2.83   2.005% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HA    LEU   31 - HN    ASP-  78  18.75 +/- 3.61   1.751% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.98, residual support = 4.59:
          HA    ASP-  76 - HN    ASP-  78   3.62 +/- 0.27  99.055% * 99.7090% (0.95   2.98   4.59) =  99.997%  kept
          HA    LEU   67 - HN    ASP-  78  18.15 +/- 2.31   0.945% *  0.2910% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.03, residual support = 37.5:
      O   HA    THR   77 - HN    THR   77   2.81 +/- 0.06  95.985% * 99.8846% (0.98  10.0   4.03  37.46) =  99.998%  kept
          HD2   PRO   93 - HN    THR   77  12.42 +/- 4.34   2.771% *  0.0577% (0.57   1.0   0.02   0.02) =   0.002%
          HB2   TRP   27 - HN    THR   77  13.28 +/- 2.49   1.244% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 3.99 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 = 0.938, support = 3.84, residual support = 15.4:
          HB2   ASP-  76 - HN    THR   77   4.28 +/- 0.31  56.489% * 63.0408% (1.00   4.10  10.96) =  74.269%  kept
          HB2   ASP-  78 - HN    THR   77   5.24 +/- 0.58  33.807% * 36.4703% (0.76   3.10  28.32) =  25.714%  kept
          QE    LYS+  33 - HN    THR   77  18.46 +/- 3.46   5.185% *  0.0768% (0.25   0.02   0.02) =   0.008%
          HB2   ASN   69 - HN    THR   77  20.16 +/- 2.23   0.630% *  0.2972% (0.97   0.02   0.02) =   0.004%
          QE    LYS+  66 - HN    THR   77  15.15 +/- 3.70   2.794% *  0.0609% (0.20   0.02   0.02) =   0.004%
          HB2   ASN   28 - HN    THR   77  17.89 +/- 2.72   1.095% *  0.0539% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 10.9:
          HB3   ASP-  76 - HN    THR   77   4.10 +/- 0.51  62.991% * 95.2530% (0.57   3.64  10.96) =  99.725%  kept
          HG3   MET   92 - HN    THR   77  12.51 +/- 5.56   7.919% *  0.9254% (1.00   0.02   0.02) =   0.122%  kept
          QG    GLN   90 - HN    THR   77  11.91 +/- 3.98  10.141% *  0.3157% (0.34   0.02   0.02) =   0.053%
          HB2   ASP-  44 - HN    THR   77   9.20 +/- 2.39   9.458% *  0.1831% (0.20   0.02   0.02) =   0.029%
          HB2   GLU-  29 - HN    THR   77  18.92 +/- 2.85   1.245% *  0.9071% (0.98   0.02   0.02) =   0.019%
          HB2   ASP- 105 - HN    THR   77  17.63 +/- 3.12   1.344% *  0.7410% (0.80   0.02   0.02) =   0.017%
          HG12  ILE  119 - HN    THR   77  17.08 +/- 2.18   1.198% *  0.6357% (0.69   0.02   0.02) =   0.013%
          HB3   PHE   72 - HN    THR   77  13.55 +/- 1.16   2.264% *  0.2573% (0.28   0.02   0.02) =   0.010%
          HG2   GLU- 100 - HN    THR   77  22.53 +/- 3.62   0.829% *  0.4504% (0.49   0.02   0.02) =   0.006%
          QG    GLU-  14 - HN    THR   77  18.70 +/- 3.76   1.520% *  0.2060% (0.22   0.02   0.02) =   0.005%
          QG    GLU-  15 - HN    THR   77  19.73 +/- 4.22   1.091% *  0.1252% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 4.02, residual support = 37.4:
          QG2   THR   77 - HN    THR   77   2.15 +/- 0.37  88.059% * 96.0937% (0.61   4.03  37.46) =  99.954%  kept
          HB3   LEU   80 - HN    THR   77   7.52 +/- 2.06   6.540% *  0.3236% (0.41   0.02   0.60) =   0.025%
          QB    ALA   88 - HN    THR   77  12.79 +/- 2.16   0.758% *  0.7445% (0.95   0.02   0.02) =   0.007%
          HB3   ASP-  44 - HN    THR   77   9.05 +/- 2.87   3.091% *  0.1752% (0.22   0.02   0.02) =   0.006%
          HB2   LEU   63 - HN    THR   77  12.58 +/- 1.51   0.651% *  0.2429% (0.31   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    THR   77  17.78 +/- 3.61   0.338% *  0.4456% (0.57   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    THR   77  19.37 +/- 4.24   0.248% *  0.5091% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    THR   77  24.06 +/- 4.22   0.160% *  0.7595% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    THR   77  20.90 +/- 3.07   0.154% *  0.7058% (0.90   0.02   0.02) =   0.001%
    Distance limit 3.37 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 = 0.768, support = 0.02, residual support = 0.196:
          QB    ALA   47 - HN    THR   77   8.88 +/- 4.29  42.016% * 35.5714% (0.90   0.02   0.34) =  54.517%  kept
          QG1   VAL   42 - HN    THR   77  10.84 +/- 1.52  20.997% * 31.7600% (0.80   0.02   0.02) =  24.326%  kept
          QB    ALA   64 - HN    THR   77   9.95 +/- 1.50  26.831% * 14.8861% (0.38   0.02   0.02) =  14.569%  kept
          HG2   LYS+ 112 - HN    THR   77  16.76 +/- 4.11  10.156% * 17.7824% (0.45   0.02   0.02) =   6.588%  kept
    Distance limit 4.38 A violated in 15 structures by 2.35 A, eliminated.
    Peak unassigned.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 83.1:
      O   HA    VAL   75 - HN    VAL   75   2.91 +/- 0.02  87.274% * 99.8428% (0.97  10.0   5.24  83.13) =  99.994%  kept
          HA    ALA   61 - HN    VAL   75   8.15 +/- 2.04  10.721% *  0.0353% (0.34   1.0   0.02   0.02) =   0.004%
          HD3   PRO   58 - HN    VAL   75  14.11 +/- 2.03   0.904% *  0.1014% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    VAL   75  13.39 +/- 1.75   1.101% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.846, support = 0.699, residual support = 0.863:
          HB2   ASP-  44 - HN    VAL   75   5.34 +/- 2.89  55.537% * 52.3443% (0.87   0.72   0.66) =  79.561%  kept
          HB3   PHE   72 - HN    VAL   75   7.95 +/- 0.84  17.519% * 40.8695% (0.76   0.64   1.72) =  19.595%  kept
          QG    GLU-  14 - HN    VAL   75  14.43 +/- 3.47  13.349% *  1.3974% (0.84   0.02   0.02) =   0.511%  kept
          QG    GLU-  15 - HN    VAL   75  15.45 +/- 3.35   2.447% *  1.5826% (0.95   0.02   0.02) =   0.106%  kept
          QG    GLN   90 - HN    VAL   75  14.69 +/- 2.68   3.214% *  1.1492% (0.69   0.02   0.02) =   0.101%  kept
          QB    MET   11 - HN    VAL   75  21.33 +/- 3.80   1.377% *  1.5004% (0.90   0.02   0.02) =   0.057%
          HG12  ILE  119 - HN    VAL   75  15.16 +/- 1.76   2.219% *  0.5707% (0.34   0.02   0.02) =   0.035%
          HG2   MET   92 - HN    VAL   75  14.96 +/- 3.92   3.141% *  0.2930% (0.18   0.02   0.02) =   0.025%
          HG3   GLU-  36 - HN    VAL   75  20.38 +/- 2.33   1.198% *  0.2930% (0.18   0.02   0.02) =   0.010%
    Distance limit 4.60 A violated in 0 structures by 0.30 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.339, support = 3.71, residual support = 24.4:
          HB3   LYS+  74 - HN    VAL   75   4.29 +/- 0.14  38.487% * 39.3402% (0.20   4.48  31.94) =  75.310%  kept
          HG    LEU   73 - HN    VAL   75   7.40 +/- 0.80   8.633% * 51.9117% (0.76   1.53   1.46) =  22.290%  kept
          HG12  ILE   19 - HN    VAL   75  10.16 +/- 3.40   6.186% *  2.9130% (0.76   0.09   0.02) =   0.896%  kept
          QB    ALA   61 - HN    VAL   75   7.72 +/- 2.07  13.191% *  0.8708% (0.98   0.02   0.02) =   0.571%  kept
          HG    LEU   80 - HN    VAL   75  10.25 +/- 3.96   8.790% *  0.7706% (0.87   0.02   0.34) =   0.337%  kept
          QG    LYS+  66 - HN    VAL   75  10.81 +/- 2.58   4.789% *  0.8201% (0.92   0.02   0.02) =   0.195%  kept
          HB3   LEU   67 - HN    VAL   75  10.40 +/- 1.81   3.762% *  0.8864% (1.00   0.02   0.02) =   0.166%  kept
          HB2   LEU   80 - HN    VAL   75   9.55 +/- 2.77   6.844% *  0.3030% (0.34   0.02   0.34) =   0.103%  kept
          QB    ALA  110 - HN    VAL   75  16.08 +/- 2.84   0.994% *  0.7420% (0.84   0.02   0.02) =   0.037%
          HG    LEU   67 - HN    VAL   75  10.69 +/- 2.15   4.124% *  0.1758% (0.20   0.02   0.02) =   0.036%
          HG    LEU   40 - HN    VAL   75  12.02 +/- 1.64   2.053% *  0.2470% (0.28   0.02   0.02) =   0.025%
          HG2   LYS+ 102 - HN    VAL   75  20.13 +/- 2.68   0.514% *  0.5747% (0.65   0.02   0.02) =   0.015%
          HB3   LEU  115 - HN    VAL   75  14.93 +/- 1.47   0.980% *  0.2470% (0.28   0.02   0.02) =   0.012%
          HD3   LYS+ 121 - HN    VAL   75  18.66 +/- 3.28   0.652% *  0.1978% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.86, residual support = 31.8:
          HG2   LYS+  74 - HN    VAL   75   3.36 +/- 0.60  74.018% * 93.8403% (0.45   5.88  31.94) =  99.613%  kept
          HG13  ILE   19 - HN    VAL   75  10.17 +/- 3.36   8.865% *  2.0985% (0.69   0.09   0.02) =   0.267%  kept
          QG2   ILE   56 - HN    VAL   75  11.49 +/- 2.01   3.171% *  0.6176% (0.87   0.02   0.02) =   0.028%
          QB    ALA   34 - HN    VAL   75  11.38 +/- 1.68   3.846% *  0.4891% (0.69   0.02   0.02) =   0.027%
          QG2   THR   39 - HN    VAL   75  12.49 +/- 1.80   2.112% *  0.6872% (0.97   0.02   0.02) =   0.021%
          QB    ALA   91 - HN    VAL   75  13.72 +/- 2.43   1.583% *  0.6872% (0.97   0.02   0.02) =   0.016%
          QG2   THR   23 - HN    VAL   75  10.80 +/- 1.62   3.119% *  0.2429% (0.34   0.02   0.02) =   0.011%
          HG    LEU   71 - HN    VAL   75  12.55 +/- 1.12   2.003% *  0.2927% (0.41   0.02   0.02) =   0.008%
          HG3   LYS+  38 - HN    VAL   75  20.04 +/- 2.51   0.614% *  0.6979% (0.98   0.02   0.02) =   0.006%
          HG3   LYS+  99 - HN    VAL   75  17.91 +/- 1.76   0.669% *  0.3466% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.928, support = 4.53, residual support = 81.1:
      O   HB    VAL   75 - HN    VAL   75   2.42 +/- 0.41  75.591% * 85.6545% (0.95  10.0   4.45  83.13) =  96.070%  kept
          HG3   LYS+  74 - HN    VAL   75   4.45 +/- 0.72  18.719% * 14.1330% (0.49   1.0   6.41  31.94) =   3.925%  kept
          QD1   LEU   67 - HN    VAL   75   7.87 +/- 1.51   3.195% *  0.0658% (0.73   1.0   0.02   0.02) =   0.003%
          QD2   LEU   40 - HN    VAL   75  10.86 +/- 1.60   1.063% *  0.0692% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    VAL   75  13.00 +/- 1.72   0.718% *  0.0549% (0.61   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    VAL   75  12.49 +/- 1.67   0.713% *  0.0226% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.526, support = 1.49, residual support = 1.27:
          QD2   LEU   73 - HN    VAL   75   5.64 +/- 1.43  23.210% * 60.2318% (0.41   2.04   1.46) =  68.311%  kept
          QG2   THR   46 - HN    VAL   75   6.89 +/- 3.02  20.756% * 17.9806% (0.69   0.37   1.52) =  18.236%  kept
          QG1   VAL   43 - HN    VAL   75   6.85 +/- 2.45  14.003% * 15.6996% (0.97   0.23   0.02) =  10.743%  kept
          QD1   ILE   19 - HN    VAL   75   9.22 +/- 2.77  11.231% *  2.0971% (0.34   0.09   0.02) =   1.151%  kept
          QG2   VAL   18 - HN    VAL   75   7.06 +/- 3.81  19.035% *  1.1474% (0.80   0.02   0.02) =   1.067%  kept
          QG1   VAL   41 - HN    VAL   75  10.35 +/- 1.96   4.578% *  1.4297% (1.00   0.02   0.02) =   0.320%  kept
          HG    LEU   31 - HN    VAL   75  11.59 +/- 2.50   2.726% *  0.8112% (0.57   0.02   0.02) =   0.108%  kept
          QD1   ILE   56 - HN    VAL   75  11.38 +/- 1.76   2.943% *  0.2836% (0.20   0.02   0.02) =   0.041%
          QD2   LEU  104 - HN    VAL   75  13.74 +/- 1.79   1.518% *  0.3190% (0.22   0.02   0.02) =   0.024%
    Distance limit 4.47 A violated in 0 structures by 0.13 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.24, residual support = 83.1:
          QG1   VAL   75 - HN    VAL   75   3.54 +/- 0.24  96.813% * 99.6849% (0.92   5.24  83.13) =  99.990%  kept
          QD1   LEU  115 - HN    VAL   75  11.91 +/- 1.80   3.187% *  0.3151% (0.76   0.02   0.02) =   0.010%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 4.99, residual support = 83.1:
          QG2   VAL   75 - HN    VAL   75   2.92 +/- 0.43  88.164% * 99.5163% (0.49   4.99  83.13) =  99.966%  kept
          QG2   VAL   42 - HN    VAL   75   7.93 +/- 1.40   7.182% *  0.2794% (0.34   0.02   0.02) =   0.023%
          QD1   ILE   89 - HN    VAL   75   9.18 +/- 2.19   4.655% *  0.2042% (0.25   0.02   0.02) =   0.011%
    Distance limit 3.91 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 = 0.687, support = 4.37, residual support = 181.0:
      O   HB3   LYS+  74 - HN    LYS+  74   2.75 +/- 0.36  46.890% * 88.9691% (0.71  10.0   4.36 186.80) =  96.214%  kept
          HB3   LEU   73 - HN    LYS+  74   3.31 +/- 0.81  33.415% *  3.7761% (0.11   1.0   5.49  42.18) =   2.910%  kept
          HG12  ILE   19 - HN    LYS+  74   7.67 +/- 3.92   5.547% *  6.7551% (0.43   1.0   2.50   8.14) =   0.864%  kept
          QB    ALA   61 - HN    LYS+  74   8.14 +/- 2.18   3.861% *  0.0275% (0.22   1.0   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    LYS+  74  11.27 +/- 2.80   1.176% *  0.0861% (0.68   1.0   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    LYS+  74  12.32 +/- 2.76   0.886% *  0.0773% (0.61   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    LYS+  74  11.66 +/- 4.18   1.431% *  0.0434% (0.34   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  74   9.18 +/- 1.63   2.713% *  0.0176% (0.14   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+  74  19.34 +/- 4.18   0.381% *  0.0892% (0.71   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+  74  10.60 +/- 2.41   1.391% *  0.0176% (0.14   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LYS+  74  10.91 +/- 1.73   1.103% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  16.51 +/- 3.69   0.334% *  0.0541% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.30 +/- 1.41   0.618% *  0.0222% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  17.93 +/- 3.09   0.255% *  0.0469% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 5.96, residual support = 42.2:
          QD2   LEU   73 - HN    LYS+  74   3.92 +/- 0.69  86.416% * 97.3465% (0.20   5.96  42.18) =  99.918%  kept
          QD1   ILE   56 - HN    LYS+  74  13.14 +/- 2.18   3.313% *  0.6181% (0.37   0.02   0.02) =   0.024%
          HG3   LYS+ 121 - HN    LYS+  74  19.83 +/- 4.18   1.703% *  1.1645% (0.70   0.02   0.02) =   0.024%
          QD2   LEU  123 - HN    LYS+  74  16.79 +/- 3.77   2.389% *  0.6652% (0.40   0.02   0.02) =   0.019%
          HG    LEU   31 - HN    LYS+  74  10.19 +/- 1.20   6.179% *  0.2058% (0.12   0.02   0.02) =   0.015%
    Distance limit 3.86 A violated in 0 structures by 0.29 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 5.72, residual support = 42.2:
          HB2   LEU   73 - HN    LYS+  74   2.93 +/- 0.92  88.701% * 97.9650% (0.64   5.72  42.18) =  99.969%  kept
          QD    LYS+  99 - HN    LYS+  74  15.81 +/- 2.80   1.735% *  0.3810% (0.71   0.02   0.02) =   0.008%
          QD    LYS+ 106 - HN    LYS+  74  15.89 +/- 2.15   1.488% *  0.3785% (0.70   0.02   0.02) =   0.006%
          QG1   ILE   56 - HN    LYS+  74  13.14 +/- 2.07   2.214% *  0.2162% (0.40   0.02   0.02) =   0.006%
          HB3   MET   92 - HN    LYS+  74  16.88 +/- 2.66   1.078% *  0.2918% (0.54   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    LYS+  74  17.05 +/- 2.72   1.314% *  0.1712% (0.32   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    LYS+  74  16.53 +/- 2.55   1.006% *  0.1303% (0.24   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    LYS+  74  23.57 +/- 3.96   0.469% *  0.2470% (0.46   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    LYS+  74  20.93 +/- 4.17   0.689% *  0.1433% (0.27   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+  74  18.96 +/- 3.73   1.306% *  0.0756% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.546, support = 0.02, residual support = 0.0379:
          HB    VAL   41 - HN    LYS+  74  10.60 +/- 2.59  17.665% * 15.4986% (0.71   0.02   0.02) =  26.420%  kept
          QB    LYS+  65 - HN    LYS+  74   9.14 +/- 2.37  25.177% *  6.3858% (0.29   0.02   0.02) =  15.515%  kept
          QB    LYS+  66 - HN    LYS+  74  11.69 +/- 1.37  10.290% * 14.9905% (0.68   0.02   0.02) =  14.885%  kept
          HG12  ILE  103 - HN    LYS+  74  15.58 +/- 3.76   8.792% * 14.6936% (0.67   0.02   0.02) =  12.466%  kept
          HB2   LEU   71 - HN    LYS+  74  10.04 +/- 1.22  18.914% *  5.8297% (0.27   0.02   0.19) =  10.640%  kept
          HB3   PRO   52 - HN    LYS+  74  18.92 +/- 3.83   8.928% * 11.2793% (0.51   0.02   0.02) =   9.717%  kept
          HG2   PRO   93 - HN    LYS+  74  16.56 +/- 2.37   4.173% * 11.8708% (0.54   0.02   0.02) =   4.781%  kept
          HG    LEU  123 - HN    LYS+  74  19.88 +/- 4.08   2.656% * 11.2793% (0.51   0.02   0.02) =   2.891%  kept
          QB    LYS+ 102 - HN    LYS+  74  17.65 +/- 3.49   3.405% *  8.1723% (0.37   0.02   0.02) =   2.685%  kept
    Distance limit 4.60 A violated in 17 structures by 2.59 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.777, support = 4.95, residual support = 38.2:
          HB3   PHE   72 - HN    LEU   73   3.67 +/- 0.62  64.886% * 71.1448% (0.76   5.41  43.24) =  87.149%  kept
          HB2   ASP-  44 - HN    LEU   73   6.93 +/- 2.22  24.699% * 27.4592% (0.87   1.84   3.89) =  12.804%  kept
          QG    GLU-  15 - HN    LEU   73  12.48 +/- 3.49   3.090% *  0.3255% (0.95   0.02   0.02) =   0.019%
          QG    GLU-  14 - HN    LEU   73  12.03 +/- 2.53   3.043% *  0.2875% (0.84   0.02   0.02) =   0.017%
          QB    MET   11 - HN    LEU   73  19.06 +/- 3.05   0.745% *  0.3086% (0.90   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    LEU   73  17.18 +/- 1.95   0.710% *  0.2364% (0.69   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    LEU   73  15.58 +/- 2.70   1.009% *  0.1174% (0.34   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HN    LEU   73  15.71 +/- 1.88   1.087% *  0.0603% (0.18   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    LEU   73  18.31 +/- 2.56   0.733% *  0.0603% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (1.69, 8.95, 120.59 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 6.24, residual support = 171.9:
      O   HB2   LEU   73 - HN    LEU   73   3.54 +/- 0.32  84.397% * 99.3783% (0.99  10.0   6.24 171.94) =  99.990%  kept
          QD    LYS+  99 - HN    LEU   73  13.33 +/- 3.24   2.873% *  0.0870% (0.87   1.0   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HN    LEU   73  14.67 +/- 1.99   1.470% *  0.0899% (0.90   1.0   0.02   0.02) =   0.002%
          QG1   ILE   56 - HN    LEU   73  12.85 +/- 2.01   3.581% *  0.0250% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    LEU   73  17.44 +/- 1.96   0.867% *  0.0994% (0.99   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    LEU   73  16.78 +/- 2.15   1.042% *  0.0689% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    LEU   73  19.58 +/- 4.26   0.736% *  0.0728% (0.73   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU   73  17.09 +/- 3.18   1.024% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    LEU   73  23.29 +/- 3.57   0.453% *  0.0948% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    LEU   73  14.47 +/- 2.91   1.942% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  13.88 +/- 1.67   1.616% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.444, support = 6.09, residual support = 151.7:
      O   HB3   LEU   73 - HN    LEU   73   2.94 +/- 0.41  48.068% * 60.2991% (0.41  10.0   6.52 171.94) =  86.524%  kept
          HB3   LYS+  74 - HN    LEU   73   6.30 +/- 0.90   9.213% * 24.3344% (0.87   1.0   3.83  42.18) =   6.693%  kept
          HB    VAL   42 - HN    LEU   73   6.06 +/- 1.84  15.610% * 11.4260% (0.49   1.0   3.20   1.04) =   5.324%  kept
          HG12  ILE   19 - HN    LEU   73   6.59 +/- 3.68  15.477% *  3.0864% (0.28   1.0   1.51   5.82) =   1.426%  kept
          QB    LEU   98 - HN    LEU   73  10.45 +/- 2.64   2.238% *  0.1463% (1.00   1.0   0.02   0.02) =   0.010%
          HD3   LYS+ 121 - HN    LEU   73  17.41 +/- 4.77   2.329% *  0.1225% (0.84   1.0   0.02   0.02) =   0.009%
          HG3   LYS+  33 - HN    LEU   73  10.15 +/- 1.85   1.717% *  0.0830% (0.57   1.0   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    LEU   73  12.91 +/- 3.61   1.012% *  0.1008% (0.69   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   73  11.15 +/- 1.52   1.132% *  0.0714% (0.49   1.0   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LEU   73  16.33 +/- 3.11   0.462% *  0.1354% (0.92   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    LEU   73  13.32 +/- 4.84   1.354% *  0.0290% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   73  18.38 +/- 3.31   0.349% *  0.0550% (0.38   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   73  14.94 +/- 2.13   0.475% *  0.0327% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  19.52 +/- 3.36   0.239% *  0.0453% (0.31   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  17.67 +/- 2.90   0.325% *  0.0327% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.969, support = 7.96, residual support = 169.0:
          QD2   LEU   73 - HN    LEU   73   2.00 +/- 0.54  72.255% * 82.8467% (0.98   8.04 171.94) =  98.268%  kept
          QG1   VAL   43 - HN    LEU   73   6.36 +/- 2.45   6.370% * 14.9720% (0.38   3.79   3.58) =   1.566%  kept
          QG1   VAL   41 - HN    LEU   73   6.73 +/- 1.99   3.716% *  1.3809% (0.57   0.23   0.02) =   0.084%
          QG2   VAL   18 - HN    LEU   73   7.00 +/- 3.47   9.254% *  0.3695% (0.20   0.18   0.97) =   0.056%
          HG    LEU   31 - HN    LEU   73   7.95 +/- 1.86   7.020% *  0.2099% (1.00   0.02   1.82) =   0.024%
          QD1   ILE   56 - HN    LEU   73  12.97 +/- 1.94   0.426% *  0.1684% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LEU   73  17.88 +/- 4.50   0.959% *  0.0525% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.96 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 = 0.587, support = 5.79, residual support = 149.0:
          QD1   LEU   73 - HN    LEU   73   3.52 +/- 0.76  45.306% * 61.9708% (0.57   6.53 171.94) =  86.626%  kept
          QG2   VAL   41 - HN    LEU   73   6.33 +/- 2.38  22.222% *  8.2886% (0.61   0.81   0.02) =   5.683%  kept
          QD2   LEU   63 - HN    LEU   73   8.19 +/- 1.44   8.236% * 17.2947% (1.00   1.03   0.14) =   4.395%  kept
          QD1   LEU   63 - HN    LEU   73   8.79 +/- 1.81   8.746% * 12.0118% (0.57   1.27   0.14) =   3.241%  kept
          QD2   LEU   98 - HN    LEU   73   9.34 +/- 2.89   5.405% *  0.1379% (0.41   0.02   0.02) =   0.023%
          QD1   LEU   80 - HN    LEU   73  11.64 +/- 4.14   4.192% *  0.1379% (0.41   0.02   0.02) =   0.018%
          QD2   LEU   80 - HN    LEU   73  11.11 +/- 4.06   4.606% *  0.0747% (0.22   0.02   0.02) =   0.011%
          QD2   LEU  115 - HN    LEU   73  13.51 +/- 2.11   1.287% *  0.0836% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.679, support = 2.98, residual support = 3.7:
          QB    ALA   64 - HN    LEU   73   5.01 +/- 0.71  51.550% * 80.4405% (0.73   3.33   4.24) =  83.158%  kept
          QG1   VAL   42 - HN    LEU   73   5.71 +/- 1.82  43.979% * 19.0660% (0.45   1.28   1.04) =  16.815%  kept
          QB    ALA   47 - HN    LEU   73  13.96 +/- 1.57   3.109% *  0.3769% (0.57   0.02   0.02) =   0.024%
          HG2   LYS+ 112 - HN    LEU   73  18.86 +/- 3.34   1.362% *  0.1166% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.73 A violated in 0 structures by 0.16 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.275, support = 1.83, residual support = 3.49:
          QG2   VAL   43 - HN    LEU   73   5.66 +/- 2.20  47.562% * 91.6152% (0.25   1.91   3.58) =  96.110%  kept
          QD2   LEU   31 - HN    LEU   73   6.36 +/- 1.53  35.932% *  3.8560% (1.00   0.02   1.82) =   3.056%  kept
          QG2   VAL   83 - HN    LEU   73  10.36 +/- 2.37   8.665% *  2.8000% (0.73   0.02   0.02) =   0.535%  kept
          QD1   ILE   89 - HN    LEU   73  10.92 +/- 1.93   7.841% *  1.7288% (0.45   0.02   0.02) =   0.299%  kept
    Distance limit 4.60 A violated in 1 structures by 0.49 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.575, support = 4.72, residual support = 85.2:
      O   HB2   PHE   72 - HN    PHE   72   3.54 +/- 0.31  62.914% * 79.6965% (0.53  10.0   4.97  90.02) =  88.763%  kept
          HA    ALA   64 - HN    PHE   72   4.95 +/- 0.94  31.340% * 20.2501% (0.97   1.0   2.77  46.90) =  11.235%  kept
          HB3   ASN   69 - HN    PHE   72   8.72 +/- 0.70   4.538% *  0.0234% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    PHE   72  14.52 +/- 1.93   1.207% *  0.0300% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.80 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 = 5.25, residual support = 90.0:
      O   HB3   PHE   72 - HN    PHE   72   3.01 +/- 0.57  80.872% * 99.3598% (0.76  10.0   5.25  90.02) =  99.976%  kept
          HB2   ASP-  44 - HN    PHE   72   8.40 +/- 1.91   7.003% *  0.1128% (0.87   1.0   0.02   0.02) =   0.010%
          QG    GLU-  14 - HN    PHE   72  11.15 +/- 3.26   4.876% *  0.1086% (0.84   1.0   0.02   0.02) =   0.007%
          QG    GLU-  15 - HN    PHE   72  11.16 +/- 4.63   3.771% *  0.1230% (0.95   1.0   0.02   0.02) =   0.006%
          QB    MET   11 - HN    PHE   72  18.15 +/- 2.89   0.499% *  0.1166% (0.90   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    PHE   72  19.26 +/- 2.06   0.474% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    PHE   72  15.86 +/- 1.98   0.878% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.31 +/- 2.50   0.958% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  20.06 +/- 3.24   0.668% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.983, support = 3.73, residual support = 18.0:
          HG    LEU   71 - HN    PHE   72   5.17 +/- 0.64  30.832% * 88.3314% (0.99   3.96  19.08) =  94.044%  kept
          HG2   LYS+  74 - HN    PHE   72   8.83 +/- 1.68  12.603% *  5.1684% (1.00   0.23   0.82) =   2.249%  kept
          QG2   THR   39 - HN    PHE   72   7.08 +/- 1.96  15.993% *  3.3799% (0.65   0.23   0.02) =   1.867%  kept
          HG13  ILE   19 - HN    PHE   72   7.00 +/- 4.02  28.888% *  1.7709% (0.95   0.08   1.03) =   1.767%  kept
          HG3   LYS+  99 - HN    PHE   72  14.84 +/- 3.53   1.666% *  0.4503% (1.00   0.02   0.02) =   0.026%
          QG2   ILE   56 - HN    PHE   72  13.53 +/- 2.32   6.267% *  0.1002% (0.22   0.02   0.02) =   0.022%
          HG3   LYS+  38 - HN    PHE   72  14.04 +/- 1.88   1.691% *  0.1690% (0.38   0.02   0.02) =   0.010%
          QB    ALA   91 - HN    PHE   72  17.82 +/- 1.84   0.785% *  0.2913% (0.65   0.02   0.02) =   0.008%
          HG12  ILE   89 - HN    PHE   72  17.63 +/- 2.36   0.865% *  0.1851% (0.41   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HN    PHE   72  23.99 +/- 3.61   0.411% *  0.1536% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.27 A violated in 0 structures by 0.17 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.93, support = 5.02, residual support = 19.4:
          QD2   LEU   71 - HN    PHE   72   3.86 +/- 0.30  46.269% * 89.5220% (0.97   5.23  19.08) =  94.612%  kept
          QD1   LEU   67 - HN    PHE   72   5.12 +/- 1.63  29.867% *  7.3890% (0.31   1.35  26.42) =   5.041%  kept
          HG3   LYS+  74 - HN    PHE   72   9.66 +/- 1.75   5.933% *  2.1478% (0.53   0.23   0.82) =   0.291%  kept
          QD2   LEU   40 - HN    PHE   72   6.99 +/- 1.41  14.129% *  0.0987% (0.28   0.02   0.02) =   0.032%
          QG2   ILE  119 - HN    PHE   72  13.63 +/- 2.29   1.428% *  0.3425% (0.97   0.02   0.02) =   0.011%
          QD1   ILE  103 - HN    PHE   72  14.23 +/- 1.96   1.122% *  0.3541% (1.00   0.02   0.02) =   0.009%
          QG2   ILE  103 - HN    PHE   72  13.53 +/- 1.59   1.253% *  0.1459% (0.41   0.02   0.02) =   0.004%
    Distance limit 3.92 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 = 0.979, support = 6.25, residual support = 34.0:
          HB    VAL   70 - HN    LEU   71   4.29 +/- 0.19  72.741% * 97.1351% (0.98   6.27  34.13) =  99.691%  kept
          QG    GLN   17 - HN    LEU   71  10.11 +/- 4.25  11.165% *  1.2014% (1.00   0.08   0.02) =   0.189%  kept
          HB2   LYS+  38 - HN    LEU   71  10.82 +/- 1.98   7.125% *  1.0199% (0.28   0.23   0.02) =   0.103%  kept
          HB2   MET   96 - HN    LEU   71  13.90 +/- 2.35   3.035% *  0.2045% (0.65   0.02   0.02) =   0.009%
          HB2   GLU-  25 - HN    LEU   71  18.54 +/- 1.37   0.968% *  0.3133% (0.99   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    LEU   71  14.69 +/- 5.43   3.526% *  0.0704% (0.22   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LEU   71  16.67 +/- 1.63   1.440% *  0.0554% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 6.34, residual support = 139.0:
      O   HB2   LEU   71 - HN    LEU   71   2.68 +/- 0.42  84.675% * 96.5085% (0.98  10.0   6.35 139.24) =  99.793%  kept
          HB    VAL   41 - HN    LEU   71   8.08 +/- 2.08   5.330% *  3.0615% (0.45   1.0   1.39   2.75) =   0.199%  kept
          HB3   GLN   17 - HN    LEU   71  10.93 +/- 4.32   4.258% *  0.0518% (0.53   1.0   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    LEU   71  10.44 +/- 1.18   1.908% *  0.0976% (0.99   1.0   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    LEU   71  10.23 +/- 1.50   2.323% *  0.0637% (0.65   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   71  15.92 +/- 2.99   0.558% *  0.0982% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   71  20.00 +/- 3.16   0.318% *  0.0883% (0.90   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  15.56 +/- 3.03   0.629% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.985, support = 5.74, residual support = 134.8:
          HG    LEU   71 - HN    LEU   71   3.29 +/- 0.64  52.742% * 79.2866% (0.99   5.90 139.24) =  96.811%  kept
          HG13  ILE   19 - HN    LEU   71   9.15 +/- 3.88   5.320% * 15.7868% (0.95   1.23   0.82) =   1.944%  kept
          QG2   THR   39 - HN    LEU   71   4.95 +/- 2.14  33.462% *  1.4478% (0.65   0.17   0.16) =   1.122%  kept
          HG2   LYS+  74 - HN    LEU   71  12.30 +/- 1.91   1.561% *  2.6667% (1.00   0.20   0.19) =   0.096%
          HG3   LYS+  99 - HN    LEU   71  13.44 +/- 5.42   2.690% *  0.2710% (1.00   0.02   0.02) =   0.017%
          HG3   LYS+  38 - HN    LEU   71  11.15 +/- 1.88   2.036% *  0.1017% (0.38   0.02   0.02) =   0.005%
          QB    ALA   91 - HN    LEU   71  19.37 +/- 2.13   0.506% *  0.1753% (0.65   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    LEU   71  15.22 +/- 2.82   1.029% *  0.0603% (0.22   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    LEU   71  19.29 +/- 2.42   0.431% *  0.1114% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  25.56 +/- 3.61   0.223% *  0.0924% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.15 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.9, support = 5.95, residual support = 91.2:
          QD1   LEU   71 - HN    LEU   71   3.37 +/- 0.88  50.164% * 41.0067% (0.84   6.20 139.24) =  55.362%  kept
          QG1   VAL   70 - HN    LEU   71   4.09 +/- 0.44  33.080% * 46.4795% (0.98   5.99  34.13) =  41.381%  kept
          QG1   VAL   18 - HN    LEU   71   9.25 +/- 4.44  11.894% *  9.6569% (1.00   1.22   0.02) =   3.091%  kept
          HB3   LEU   63 - HN    LEU   71  10.40 +/- 1.17   2.255% *  2.6163% (0.69   0.48   0.02) =   0.159%  kept
          QD1   LEU  123 - HN    LEU   71  15.01 +/- 3.76   1.461% *  0.1322% (0.84   0.02   0.02) =   0.005%
          HB3   LEU  104 - HN    LEU   71  15.48 +/- 3.52   0.770% *  0.0770% (0.49   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    LEU   71  19.18 +/- 1.74   0.375% *  0.0313% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.97 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   2.91 +/- 0.36 100.000% *100.0000% (0.73   6.38  34.13) = 100.000%  kept
    Distance limit 3.26 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 = 4.73, residual support = 81.8:
      O   HB    VAL   70 - HN    VAL   70   2.64 +/- 0.29  93.737% * 99.6297% (0.76  10.0   4.74  81.84) =  99.994%  kept
          QG    GLN   17 - HN    VAL   70  10.32 +/- 4.13   3.840% *  0.1089% (0.84   1.0   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HN    VAL   70  13.65 +/- 1.92   1.062% *  0.0738% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   70  20.69 +/- 2.50   0.294% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  14.69 +/- 1.94   0.714% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.21 +/- 2.19   0.353% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.825, support = 0.672, residual support = 6.48:
          HB3   LEU   67 - HN    VAL   70   4.26 +/- 0.79  33.022% * 31.6413% (0.87   0.70   0.02) =  68.823%  kept
          HG    LEU   40 - HN    VAL   70   6.58 +/- 1.16   9.372% * 29.0944% (0.61   0.92  35.87) =  17.960%  kept
          QG    LYS+  66 - HN    VAL   70   7.74 +/- 1.51  12.957% *  9.9932% (0.98   0.19   0.02) =   8.529%  kept
          HG    LEU   73 - HN    VAL   70  11.56 +/- 1.29   1.756% * 22.4182% (0.99   0.43   0.78) =   2.592%  kept
          HG    LEU   67 - HN    VAL   70   4.21 +/- 1.43  34.378% *  0.5103% (0.49   0.02   0.02) =   1.155%  kept
          HG12  ILE   19 - HN    VAL   70  11.32 +/- 3.43   3.737% *  2.8922% (0.41   0.13   0.12) =   0.712%  kept
          QB    ALA   61 - HN    VAL   70   9.55 +/- 1.66   3.132% *  0.7612% (0.73   0.02   0.02) =   0.157%  kept
          HG2   LYS+ 102 - HN    VAL   70  20.01 +/- 3.14   0.366% *  0.9916% (0.95   0.02   0.02) =   0.024%
          HB3   LEU  115 - HN    VAL   70  17.39 +/- 3.02   0.483% *  0.6358% (0.61   0.02   0.02) =   0.020%
          QB    ALA  110 - HN    VAL   70  19.22 +/- 3.92   0.440% *  0.5103% (0.49   0.02   0.02) =   0.015%
          HG    LEU   80 - HN    VAL   70  20.03 +/- 3.10   0.356% *  0.5515% (0.53   0.02   0.02) =   0.013%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.931, support = 4.99, residual support = 76.8:
          QG1   VAL   70 - HN    VAL   70   2.47 +/- 0.43  78.009% * 54.0112% (0.92   5.11  81.84) =  89.553%  kept
          QD1   LEU   71 - HN    VAL   70   5.91 +/- 1.10  10.808% * 45.2989% (1.00   3.95  34.13) =  10.406%  kept
          QG1   VAL   18 - HN    VAL   70   9.72 +/- 4.30   5.549% *  0.1914% (0.84   0.02   0.02) =   0.023%
          QD1   LEU  123 - HN    VAL   70  13.59 +/- 3.96   2.391% *  0.2291% (1.00   0.02   0.02) =   0.012%
          HB3   LEU   63 - HN    VAL   70   8.35 +/- 0.98   2.768% *  0.0781% (0.34   0.02   0.02) =   0.005%
          HB3   LEU  104 - HN    VAL   70  15.82 +/- 3.94   0.474% *  0.1914% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.69 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 = 81.8:
          QG2   VAL   70 - HN    VAL   70   3.75 +/- 0.17 100.000% *100.0000% (0.98   4.31  81.84) = 100.000%  kept
    Distance limit 4.12 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   3.90 +/- 0.45  82.433% * 99.7633% (0.55  10.0   2.96  60.89) =  99.994%  kept
          QE    LYS+  66 - HD22  ASN   69  11.27 +/- 3.08  12.376% *  0.0227% (0.12   1.0   0.02   0.22) =   0.003%
          HB2   ASP-  76 - HD22  ASN   69  20.65 +/- 2.82   0.896% *  0.1018% (0.56   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   69  14.20 +/- 2.87   2.872% *  0.0227% (0.12   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   69  24.44 +/- 3.24   0.518% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  20.63 +/- 3.18   0.903% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 3.06, residual support = 25.1:
          QG1   VAL   70 - HD22  ASN   69   4.58 +/- 1.09  46.164% * 88.4486% (0.56   3.26  27.00) =  92.867%  kept
          QD1   LEU   71 - HD22  ASN   69   6.48 +/- 1.83  30.661% *  9.8766% (0.53   0.38   0.02) =   6.887%  kept
          QD1   LEU  123 - HD22  ASN   69  14.99 +/- 5.13  10.605% *  0.5137% (0.53   0.02   0.02) =   0.124%  kept
          QG1   VAL   18 - HD22  ASN   69  12.64 +/- 4.15   6.714% *  0.5241% (0.54   0.02   0.02) =   0.080%
          HB3   LEU   63 - HD22  ASN   69  11.68 +/- 2.16   3.317% *  0.2857% (0.30   0.02   0.02) =   0.022%
          HB3   LEU  104 - HD22  ASN   69  16.30 +/- 5.91   2.538% *  0.3513% (0.36   0.02   0.02) =   0.020%
    Distance limit 4.41 A violated in 0 structures by 0.06 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 3.22, residual support = 3.22:
          HA    LEU   67 - HN    ASN   69   3.83 +/- 0.66 100.000% *100.0000% (0.92   3.22   3.22) = 100.000%  kept
    Distance limit 4.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 30.6:
          HD2   PRO   68 - HN    ASN   69   3.02 +/- 0.67  92.375% * 99.1834% (0.80   5.97  30.56) =  99.971%  kept
          HA    ALA   61 - HN    ASN   69  10.90 +/- 1.83   5.867% *  0.3925% (0.95   0.02   0.02) =   0.025%
          HD3   PRO   58 - HN    ASN   69  17.80 +/- 1.75   0.731% *  0.2684% (0.65   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    ASN   69  15.23 +/- 1.62   1.027% *  0.1557% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.97, residual support = 30.6:
          HD3   PRO   68 - HN    ASN   69   3.85 +/- 0.62  92.020% * 98.4642% (0.99   5.97  30.56) =  99.973%  kept
          HD3   PRO   93 - HN    ASN   69  21.68 +/- 3.80   2.158% *  0.3320% (1.00   0.02   0.02) =   0.008%
          HD2   ARG+  54 - HN    ASN   69  21.55 +/- 5.11   1.587% *  0.3072% (0.92   0.02   0.02) =   0.005%
          QB    PHE   55 - HN    ASN   69  18.64 +/- 3.30   1.424% *  0.3211% (0.97   0.02   0.02) =   0.005%
          HB2   PHE   59 - HN    ASN   69  15.61 +/- 1.51   1.671% *  0.2543% (0.76   0.02   0.02) =   0.005%
          HB3   CYS   53 - HN    ASN   69  19.39 +/- 2.93   1.141% *  0.3211% (0.97   0.02   0.02) =   0.004%
    Distance limit 4.77 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 = 0.841, support = 0.222, residual support = 0.207:
          QE    LYS+  66 - HN    ASN   69   8.15 +/- 1.87  32.845% * 88.7138% (0.87   0.24   0.22) =  93.077%  kept
          HA    ALA   64 - HN    ASN   69   6.07 +/- 1.22  60.787% *  2.6619% (0.31   0.02   0.02) =   5.169%  kept
          HB3   ASN   35 - HN    ASN   69  17.32 +/- 3.21   6.368% *  8.6243% (1.00   0.02   0.02) =   1.754%  kept
    Distance limit 3.95 A violated in 12 structures by 1.75 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.155, support = 3.82, residual support = 26.9:
          HB    VAL   70 - HN    ASN   69   4.45 +/- 0.48  71.744% * 89.1775% (0.15   3.84  27.00) =  99.572%  kept
          HB2   LYS+  38 - HN    ASN   69  14.49 +/- 2.14   2.892% *  2.9830% (0.99   0.02   0.02) =   0.134%  kept
          QG    GLN   17 - HN    ASN   69  10.68 +/- 4.12  14.201% *  0.5956% (0.20   0.02   0.02) =   0.132%  kept
          HG3   GLU-  29 - HN    ASN   69  20.40 +/- 3.03   1.256% *  2.4099% (0.80   0.02   0.02) =   0.047%
          QB    GLU-  36 - HN    ASN   69  15.02 +/- 3.21   5.359% *  0.5271% (0.18   0.02   0.02) =   0.044%
          HB3   GLU-  29 - HN    ASN   69  18.76 +/- 2.96   1.524% *  1.2373% (0.41   0.02   0.02) =   0.029%
          HB2   GLN   90 - HN    ASN   69  26.02 +/- 3.34   0.632% *  1.8255% (0.61   0.02   0.02) =   0.018%
          HB2   GLU-  25 - HN    ASN   69  21.90 +/- 3.52   1.248% *  0.8368% (0.28   0.02   0.02) =   0.016%
          HB3   GLU-  79 - HN    ASN   69  20.56 +/- 2.89   1.143% *  0.4073% (0.14   0.02   0.02) =   0.007%
    Distance limit 4.70 A violated in 0 structures by 0.07 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.952, support = 6.03, residual support = 30.5:
      O   HB3   PRO   68 - HN    ASN   69   4.23 +/- 0.52  36.447% * 95.4492% (0.99  10.0   6.03  30.56) =  95.461%  kept
          HG2   PRO   68 - HN    ASN   69   4.09 +/- 1.22  41.756% *  3.9303% (0.14   1.0   6.03  30.56) =   4.503%  kept
          HB2   GLN   17 - HN    ASN   69  11.87 +/- 4.20   7.431% *  0.0699% (0.73   1.0   0.02   0.02) =   0.014%
          QB    GLU-  15 - HN    ASN   69  12.65 +/- 4.81   4.501% *  0.0699% (0.73   1.0   0.02   0.02) =   0.009%
          HG3   GLN   30 - HN    ASN   69  14.40 +/- 2.25   1.667% *  0.0835% (0.87   1.0   0.02   0.02) =   0.004%
          HB2   GLN   30 - HN    ASN   69  14.62 +/- 1.97   1.424% *  0.0545% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ASN   69  18.54 +/- 5.45   0.905% *  0.0623% (0.65   1.0   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    ASN   69  24.68 +/- 4.70   0.656% *  0.0771% (0.80   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    ASN   69  17.97 +/- 3.54   0.828% *  0.0545% (0.57   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    ASN   69  13.37 +/- 2.76   1.991% *  0.0169% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASN   69  21.23 +/- 4.68   0.867% *  0.0268% (0.28   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ASN   69  20.44 +/- 3.38   0.826% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  22.43 +/- 3.79   0.311% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  22.49 +/- 3.03   0.391% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.48, residual support = 30.5:
          HG3   PRO   68 - HN    ASN   69   4.01 +/- 0.65  80.316% * 92.7610% (0.38   5.49  30.56) =  99.838%  kept
          HB3   LYS+  38 - HN    ASN   69  13.81 +/- 2.12   2.557% *  0.8513% (0.95   0.02   0.02) =   0.029%
          QB    LYS+  33 - HN    ASN   69  14.11 +/- 2.77   2.993% *  0.5458% (0.61   0.02   0.02) =   0.022%
          HB2   MET   92 - HN    ASN   69  23.04 +/- 3.89   2.723% *  0.5821% (0.65   0.02   0.02) =   0.021%
          HB3   GLN   30 - HN    ASN   69  14.83 +/- 1.56   1.857% *  0.7206% (0.80   0.02   0.02) =   0.018%
          HB    ILE   56 - HN    ASN   69  17.61 +/- 2.50   1.456% *  0.8979% (1.00   0.02   0.02) =   0.018%
          QB    LYS+ 106 - HN    ASN   69  17.31 +/- 2.62   1.294% *  0.7206% (0.80   0.02   0.02) =   0.012%
          HB3   ASP- 105 - HN    ASN   69  16.35 +/- 3.82   1.848% *  0.4380% (0.49   0.02   0.02) =   0.011%
          HG2   ARG+  54 - HN    ASN   69  21.01 +/- 4.88   1.561% *  0.4035% (0.45   0.02   0.02) =   0.008%
          HB3   PRO   58 - HN    ASN   69  17.09 +/- 1.58   1.384% *  0.4035% (0.45   0.02   0.02) =   0.007%
          HB3   GLN   90 - HN    ASN   69  25.70 +/- 3.15   0.645% *  0.6181% (0.69   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    ASN   69  22.89 +/- 2.09   0.562% *  0.6877% (0.76   0.02   0.02) =   0.005%
          HB    ILE  103 - HN    ASN   69  19.91 +/- 2.97   0.806% *  0.3700% (0.41   0.02   0.02) =   0.004%
    Distance limit 4.25 A violated in 0 structures by 0.17 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.717, support = 4.3, residual support = 26.0:
          QG1   VAL   70 - HN    ASN   69   3.36 +/- 0.82  65.018% * 83.4347% (0.73   4.42  27.00) =  96.295%  kept
          QD1   LEU   71 - HN    ASN   69   7.04 +/- 1.26  13.353% * 15.0192% (0.49   1.19   0.02) =   3.560%  kept
          QG1   VAL   18 - HN    ASN   69  10.70 +/- 4.07   7.543% *  0.4346% (0.84   0.02   0.02) =   0.058%
          HB3   LEU   63 - HN    ASN   69   9.07 +/- 1.25   5.801% *  0.5021% (0.97   0.02   0.02) =   0.052%
          QD1   LEU  123 - HN    ASN   69  13.89 +/- 4.23   6.930% *  0.2532% (0.49   0.02   0.02) =   0.031%
          QG1   VAL  108 - HN    ASN   69  20.20 +/- 2.53   0.405% *  0.2532% (0.49   0.02   0.02) =   0.002%
          HB3   LEU  104 - HN    ASN   69  16.76 +/- 4.65   0.950% *  0.1030% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.984, support = 3.91, residual support = 19.5:
          HD2   PRO   68 - HN    LEU   67   4.37 +/- 0.73  44.747% * 96.1896% (1.00   3.93  19.40) =  98.484%  kept
          HA    VAL   24 - HE3   TRP   27   5.81 +/- 0.32  20.447% *  2.8790% (0.04   2.74  26.62) =   1.347%  kept
          HA    ALA   61 - HN    LEU   67   7.32 +/- 0.50  11.267% *  0.4730% (0.97   0.02   0.02) =   0.122%  kept
          HA    VAL   24 - HN    LEU   67  16.78 +/- 4.64   5.507% *  0.1672% (0.34   0.02   0.02) =   0.021%
          HA    ALA   61 - HE3   TRP   27  11.57 +/- 3.18  12.709% *  0.0595% (0.12   0.02   0.02) =   0.017%
          HD3   PRO   58 - HN    LEU   67  14.11 +/- 1.13   1.571% *  0.1513% (0.31   0.02   0.02) =   0.005%
          HD2   PRO   68 - HE3   TRP   27  15.24 +/- 2.85   1.939% *  0.0615% (0.13   0.02   0.02) =   0.003%
          HD3   PRO   58 - HE3   TRP   27  17.82 +/- 3.49   1.813% *  0.0190% (0.04   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.33, residual support = 19.4:
          HD3   PRO   68 - HN    LEU   67   3.78 +/- 0.81  77.713% * 97.4112% (0.76   4.33  19.40) =  99.936%  kept
          HD3   PRO   93 - HN    LEU   67  18.26 +/- 3.32   2.255% *  0.4709% (0.80   0.02   0.02) =   0.014%
          HB3   CYS   53 - HN    LEU   67  15.75 +/- 2.45   1.590% *  0.5563% (0.95   0.02   0.02) =   0.012%
          HB2   PHE   59 - HN    LEU   67  11.76 +/- 1.30   3.480% *  0.2418% (0.41   0.02   0.02) =   0.011%
          QB    PHE   55 - HN    LEU   67  15.45 +/- 2.12   1.826% *  0.4040% (0.69   0.02   0.02) =   0.010%
          HD2   ARG+  54 - HN    LEU   67  17.91 +/- 3.84   1.214% *  0.5765% (0.98   0.02   0.02) =   0.009%
          HD3   PRO   68 - HE3   TRP   27  15.48 +/- 2.81   3.378% *  0.0565% (0.10   0.02   0.02) =   0.003%
          HB3   CYS   53 - HE3   TRP   27  18.07 +/- 2.63   1.830% *  0.0699% (0.12   0.02   0.02) =   0.002%
          HB2   PHE   59 - HE3   TRP   27  15.91 +/- 3.40   3.209% *  0.0304% (0.05   0.02   0.02) =   0.001%
          QB    PHE   55 - HE3   TRP   27  18.90 +/- 2.90   1.584% *  0.0508% (0.09   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HE3   TRP   27  22.27 +/- 3.65   0.956% *  0.0725% (0.12   0.02   0.02) =   0.001%
          HD3   PRO   93 - HE3   TRP   27  19.24 +/- 2.26   0.965% *  0.0592% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.594, support = 2.75, residual support = 8.42:
          HA    ALA   64 - HN    LEU   67   3.14 +/- 0.50  74.490% * 23.8613% (0.65   1.21   3.98) =  55.965%  kept
          QE    LYS+  66 - HN    LEU   67   5.54 +/- 0.78  18.522% * 75.4747% (0.53   4.70  14.08) =  44.016%  kept
          HB3   ASN   35 - HN    LEU   67  19.35 +/- 3.09   0.521% *  0.5099% (0.84   0.02   0.02) =   0.008%
          HA    ALA   64 - HE3   TRP   27  11.13 +/- 2.44   3.247% *  0.0496% (0.08   0.02   0.02) =   0.005%
          HB3   ASN   35 - HE3   TRP   27  12.37 +/- 1.19   1.569% *  0.0641% (0.10   0.02   0.02) =   0.003%
          QE    LYS+  66 - HE3   TRP   27  15.65 +/- 3.36   1.651% *  0.0404% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.31 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 = 4.98, residual support = 57.6:
      O   HB2   LEU   67 - HN    LEU   67   2.93 +/- 0.57  60.187% * 82.3589% (0.61  10.0   5.03  59.32) =  95.718%  kept
          HG2   PRO   68 - HN    LEU   67   6.01 +/- 0.82  12.946% * 17.0607% (0.65   1.0   3.88  19.40) =   4.265%  kept
          HB    VAL   18 - HN    LEU   67  10.16 +/- 4.80   6.933% *  0.0463% (0.34   1.0   0.02   0.02) =   0.006%
          HB2   LEU  115 - HN    LEU   67  15.82 +/- 3.17   1.319% *  0.1284% (0.95   1.0   0.02   0.02) =   0.003%
          HB    ILE   19 - HN    LEU   67  12.26 +/- 2.03   1.375% *  0.0769% (0.57   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    LEU   67  14.92 +/- 1.49   0.699% *  0.1310% (0.97   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HE3   TRP   27   6.59 +/- 1.33   8.306% *  0.0097% (0.07   1.0   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    LEU   67  17.99 +/- 3.00   0.574% *  0.0661% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    LEU   67  17.28 +/- 3.46   1.085% *  0.0210% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  12.27 +/- 2.91   1.382% *  0.0104% (0.08   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  10.89 +/- 1.41   1.803% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  20.85 +/- 4.61   0.287% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.40 +/- 0.26   1.696% *  0.0034% (0.02   1.0   0.02   0.62) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  19.03 +/- 3.61   0.277% *  0.0165% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  16.95 +/- 2.69   0.394% *  0.0110% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  18.97 +/- 2.88   0.266% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  20.23 +/- 2.76   0.220% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.03 +/- 3.80   0.252% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.926, support = 4.58, residual support = 12.7:
          QB    LYS+  66 - HN    LEU   67   3.17 +/- 0.46  48.893% * 74.9800% (0.95   4.88  14.08) =  90.309%  kept
          QB    LYS+  65 - HN    LEU   67   4.72 +/- 0.27  16.972% * 22.3801% (0.76   1.80   0.34) =   9.357%  kept
          HB    VAL   41 - HE3   TRP   27   8.41 +/- 3.39  15.099% *  0.7721% (0.10   0.47   0.02) =   0.287%  kept
          HB2   LEU   71 - HN    LEU   67   9.92 +/- 1.38   1.850% *  0.2359% (0.73   0.02   0.02) =   0.011%
          HG    LEU  123 - HN    LEU   67  15.15 +/- 4.41   2.885% *  0.1219% (0.38   0.02   0.02) =   0.009%
          HB    VAL   41 - HN    LEU   67  13.11 +/- 1.77   0.864% *  0.2601% (0.80   0.02   0.02) =   0.006%
          HG2   PRO   93 - HN    LEU   67  17.22 +/- 3.19   0.593% *  0.3220% (0.99   0.02   0.02) =   0.005%
          HB3   GLN   17 - HN    LEU   67  11.52 +/- 3.40   2.142% *  0.0723% (0.22   0.02   0.02) =   0.004%
          QB    LYS+ 102 - HN    LEU   67  18.53 +/- 2.66   0.426% *  0.2818% (0.87   0.02   0.02) =   0.003%
          HG12  ILE  103 - HN    LEU   67  17.76 +/- 2.82   0.505% *  0.2102% (0.65   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    LEU   67  19.15 +/- 3.10   0.438% *  0.1219% (0.38   0.02   0.02) =   0.001%
          QB    LYS+  66 - HE3   TRP   27  13.84 +/- 2.90   1.351% *  0.0386% (0.12   0.02   0.02) =   0.001%
          HB2   LEU   71 - HE3   TRP   27  10.59 +/- 1.54   1.728% *  0.0297% (0.09   0.02   0.02) =   0.001%
          QB    LYS+  65 - HE3   TRP   27  12.35 +/- 2.72   1.575% *  0.0312% (0.10   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HE3   TRP   27  16.17 +/- 3.79   1.132% *  0.0354% (0.11   0.02   0.02) =   0.001%
          HG12  ILE  103 - HE3   TRP   27  14.57 +/- 3.31   1.068% *  0.0264% (0.08   0.02   0.02) =   0.001%
          HG    LEU  123 - HE3   TRP   27  21.07 +/- 5.81   0.743% *  0.0153% (0.05   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  18.83 +/- 2.30   0.274% *  0.0405% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  12.57 +/- 1.95   1.168% *  0.0091% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  21.45 +/- 3.95   0.295% *  0.0153% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.491, support = 5.02, residual support = 52.4:
      O   HB3   LEU   67 - HN    LEU   67   2.88 +/- 0.58  33.422% * 37.1119% (0.25  10.0   4.45  59.32) =  55.295%  kept
          HG    LEU   67 - HN    LEU   67   4.09 +/- 0.69  14.707% * 44.6525% (1.00   1.0   6.01  59.32) =  29.276%  kept
          QG    LYS+  66 - HN    LEU   67   3.77 +/- 0.78  20.105% * 16.3456% (0.41   1.0   5.34  14.08) =  14.651%  kept
          HG    LEU   73 - HE3   TRP   27   4.54 +/- 2.27  17.216% *  0.9838% (0.08   1.0   1.73  21.30) =   0.755%  kept
          HG    LEU   40 - HN    LEU   67   9.75 +/- 1.36   1.034% *  0.1475% (0.99   1.0   0.02   0.02) =   0.007%
          HB3   LEU  115 - HN    LEU   67  15.00 +/- 3.38   0.416% *  0.1475% (0.99   1.0   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    LEU   67  12.06 +/- 1.47   0.583% *  0.0903% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    LEU   67  11.46 +/- 1.50   0.764% *  0.0667% (0.45   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    LEU   67   7.48 +/- 0.52   1.966% *  0.0230% (0.15   1.0   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LEU   67  15.04 +/- 3.45   0.346% *  0.1022% (0.69   1.0   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    LEU   67  15.72 +/- 2.82   0.269% *  0.1022% (0.69   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HE3   TRP   27  10.80 +/- 1.80   1.259% *  0.0185% (0.12   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HE3   TRP   27  12.84 +/- 3.03   1.000% *  0.0187% (0.13   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   67  21.64 +/- 2.93   0.090% *  0.1081% (0.73   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  10.61 +/- 2.98   2.825% *  0.0029% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  12.76 +/- 3.21   1.485% *  0.0047% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  11.88 +/- 2.01   0.673% *  0.0084% (0.06   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  19.12 +/- 4.01   0.430% *  0.0129% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  14.16 +/- 3.03   0.668% *  0.0077% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.42 +/- 3.04   0.266% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  18.53 +/- 4.21   0.274% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  19.34 +/- 3.05   0.202% *  0.0129% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.308, support = 4.09, residual support = 58.5:
          QD1   LEU   67 - HN    LEU   67   3.50 +/- 0.67  49.762% * 89.5635% (0.31   4.14  59.32) =  98.575%  kept
          HG3   LYS+  74 - HE3   TRP   27   9.39 +/- 1.95  10.425% *  3.9371% (0.07   0.85   0.02) =   0.908%  kept
          QD2   LEU   71 - HN    LEU   67   8.20 +/- 1.34   6.818% *  1.3528% (0.97   0.02   0.02) =   0.204%  kept
          QG2   ILE  119 - HN    LEU   67  11.34 +/- 2.72   5.183% *  1.3528% (0.97   0.02   0.02) =   0.155%  kept
          QD2   LEU   40 - HN    LEU   67   9.07 +/- 1.66   5.491% *  0.3897% (0.28   0.02   0.02) =   0.047%
          HG3   LYS+  74 - HN    LEU   67  11.65 +/- 3.22   2.351% *  0.7375% (0.53   0.02   0.02) =   0.038%
          QD1   ILE  103 - HN    LEU   67  16.23 +/- 2.42   0.630% *  1.3986% (1.00   0.02   0.02) =   0.019%
          QD2   LEU   71 - HE3   TRP   27   9.26 +/- 1.72   4.468% *  0.1701% (0.12   0.02   0.02) =   0.017%
          QG2   ILE  103 - HN    LEU   67  14.85 +/- 2.24   0.813% *  0.5763% (0.41   0.02   0.02) =   0.010%
          QD1   ILE  103 - HE3   TRP   27  13.13 +/- 3.03   1.669% *  0.1758% (0.13   0.02   0.02) =   0.006%
          QD1   LEU   67 - HE3   TRP   27  10.01 +/- 2.06   5.266% *  0.0544% (0.04   0.02   0.02) =   0.006%
          QG2   ILE  119 - HE3   TRP   27  15.85 +/- 3.97   1.498% *  0.1701% (0.12   0.02   0.02) =   0.006%
          QG2   ILE  103 - HE3   TRP   27  13.27 +/- 2.80   2.273% *  0.0724% (0.05   0.02   0.02) =   0.004%
          QD2   LEU   40 - HE3   TRP   27   9.70 +/- 1.79   3.351% *  0.0490% (0.03   0.02   0.02) =   0.004%
    Distance limit 4.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 6.06, residual support = 29.9:
      O   HA    LYS+  65 - HN    LYS+  66   3.55 +/- 0.06  77.596% * 98.9277% (0.61  10.0   6.06  29.94) =  99.957%  kept
          QB    SER   48 - HN    LYS+  66  16.47 +/- 4.67  10.804% *  0.1617% (0.99   1.0   0.02   0.02) =   0.023%
          HA2   GLY   16 - HN    LYS+  66  14.00 +/- 5.16   3.574% *  0.1120% (0.69   1.0   0.02   0.02) =   0.005%
          HA    ALA  120 - HN    LYS+  66  15.81 +/- 4.06   1.966% *  0.1574% (0.97   1.0   0.02   0.02) =   0.004%
          HA2   GLY   51 - HN    LYS+  66  18.51 +/- 3.58   2.003% *  0.1362% (0.84   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    LYS+  66  15.29 +/- 2.24   1.365% *  0.1543% (0.95   1.0   0.02   0.02) =   0.003%
          HA    LYS+ 121 - HN    LYS+  66  16.70 +/- 3.98   1.305% *  0.1463% (0.90   1.0   0.02   0.02) =   0.002%
          QB    SER  117 - HN    LYS+  66  16.69 +/- 2.67   0.991% *  0.0923% (0.57   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LYS+  66  21.70 +/- 2.17   0.397% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 4.13 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 = 2.69, residual support = 7.43:
          HA    LEU   63 - HN    LYS+  66   3.66 +/- 0.36  97.247% * 99.1566% (0.99   2.69   7.43) =  99.987%  kept
          HB2   HIS   22 - HN    LYS+  66  17.85 +/- 3.83   2.092% *  0.5103% (0.69   0.02   0.02) =   0.011%
          HA2   GLY  101 - HN    LYS+  66  21.56 +/- 3.19   0.661% *  0.3331% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.845, support = 4.82, residual support = 24.5:
          HA    ALA   64 - HN    LYS+  66   3.94 +/- 0.34  59.760% * 77.6304% (0.95   4.70   9.43) =  86.109%  kept
          QE    LYS+  66 - HN    LYS+  66   4.99 +/- 0.81  34.250% * 21.7820% (0.22   5.61 118.02) =  13.848%  kept
          HB2   PHE   72 - HN    LYS+  66   9.39 +/- 1.37   5.308% *  0.4176% (0.22   0.11   0.68) =   0.041%
          HB3   ASN   35 - HN    LYS+  66  20.69 +/- 3.20   0.682% *  0.1699% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.94 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 = 0.714, support = 5.47, residual support = 100.9:
      O   QB    LYS+  66 - HN    LYS+  66   2.43 +/- 0.31  63.330% * 68.2859% (0.65  10.0   5.34 118.02) =  80.585%  kept
          QB    LYS+  65 - HN    LYS+  66   3.09 +/- 0.28  33.306% * 31.2752% (0.99   1.0   5.98  29.94) =  19.411%  kept
          HB2   LEU   71 - HN    LYS+  66  11.23 +/- 1.58   0.806% *  0.1035% (0.98   1.0   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LYS+  66  16.46 +/- 2.79   0.687% *  0.0947% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  66  12.09 +/- 3.29   0.976% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    LYS+  66  19.24 +/- 2.82   0.208% *  0.1053% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  14.15 +/- 1.85   0.417% *  0.0473% (0.45   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  18.29 +/- 3.04   0.271% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.505, support = 4.24, residual support = 66.7:
          QG    LYS+  66 - HN    LYS+  66   2.88 +/- 0.80  68.735% * 19.5269% (0.15   4.95 118.02) =  50.619%  kept
          HG    LEU   67 - HN    LYS+  66   5.80 +/- 1.00  16.753% * 77.8622% (0.87   3.51  14.08) =  49.193%  kept
          HB3   LEU  115 - HN    LYS+  66  14.16 +/- 3.11   3.588% *  0.3904% (0.76   0.02   0.02) =   0.053%
          HG    LEU  115 - HN    LYS+  66  14.74 +/- 2.71   2.682% *  0.4930% (0.97   0.02   0.02) =   0.050%
          HG    LEU   40 - HN    LYS+  66  11.14 +/- 1.40   1.790% *  0.3904% (0.76   0.02   0.02) =   0.026%
          QB    ALA  120 - HN    LYS+  66  14.56 +/- 3.13   1.156% *  0.4930% (0.97   0.02   0.02) =   0.021%
          HB3   LEU   40 - HN    LYS+  66  12.95 +/- 1.56   1.227% *  0.4091% (0.80   0.02   0.02) =   0.019%
          HB2   LYS+  74 - HN    LYS+  66  10.93 +/- 2.71   2.294% *  0.1011% (0.20   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    LYS+  66  12.32 +/- 1.77   1.554% *  0.1420% (0.28   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HN    LYS+  66  22.49 +/- 3.07   0.222% *  0.1917% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 0 structures by 0.07 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.08, residual support = 9.43:
          QB    ALA   64 - HN    LYS+  66   4.48 +/- 0.22 100.000% *100.0000% (0.95   4.08   9.43) = 100.000%  kept
    Distance limit 4.57 A violated in 0 structures by 0.05 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 159.0:
      O   HA    LYS+  65 - HN    LYS+  65   2.79 +/- 0.06  89.704% * 99.3218% (0.64  10.0   6.08 159.04) =  99.992%  kept
          QB    SER   48 - HN    LYS+  65  15.39 +/- 4.00   3.452% *  0.0822% (0.53   1.0   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    LYS+  65  14.03 +/- 4.87   1.615% *  0.1038% (0.67   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LYS+  65  15.72 +/- 2.84   0.762% *  0.1018% (0.65   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LYS+  65  13.94 +/- 2.11   0.963% *  0.0696% (0.45   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LYS+  65  17.49 +/- 3.01   0.960% *  0.0524% (0.34   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  65  16.68 +/- 2.70   0.548% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  20.57 +/- 1.95   0.253% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  16.63 +/- 2.75   0.643% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  16.27 +/- 1.59   0.508% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  19.35 +/- 2.86   0.389% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  21.97 +/- 2.22   0.203% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.649, support = 4.9, residual support = 29.3:
      O   HA    ALA   64 - HN    LYS+  65   3.54 +/- 0.05  76.282% * 94.5738% (0.65  10.0   4.91  29.35) =  99.005%  kept
          QE    LYS+  66 - HN    LYS+  65   6.91 +/- 1.05  14.324% *  4.5428% (0.15   1.0   4.08  29.94) =   0.893%  kept
          HB2   PHE   72 - HN    LYS+  65   7.96 +/- 1.19   8.847% *  0.8347% (0.15   1.0   0.75   0.02) =   0.101%  kept
          HB3   ASN   35 - HN    LYS+  65  20.35 +/- 2.72   0.546% *  0.0487% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.532, support = 6.6, residual support = 155.1:
      O   QB    LYS+  65 - HN    LYS+  65   2.13 +/- 0.14  86.314% * 77.5351% (0.53  10.0   6.66 159.04) =  96.987%  kept
          QB    LYS+  66 - HN    LYS+  65   4.66 +/- 0.41   9.458% * 21.9571% (0.65   1.0   4.58  29.94) =   3.010%  kept
          HB2   LEU   71 - HN    LYS+  65  10.81 +/- 1.63   0.996% *  0.0737% (0.50   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  65  15.30 +/- 2.43   0.368% *  0.1006% (0.68   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  65  13.34 +/- 1.95   0.442% *  0.0812% (0.55   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  65  11.58 +/- 3.50   1.213% *  0.0226% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  14.47 +/- 3.07   0.622% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.00 +/- 2.37   0.145% *  0.0880% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  17.65 +/- 2.65   0.192% *  0.0656% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  17.12 +/- 2.74   0.251% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.177, support = 4.71, residual support = 130.1:
          HG2   LYS+  65 - HN    LYS+  65   3.78 +/- 0.58  55.787% * 51.2291% (0.14   5.38 159.04) =  81.739%  kept
          HG    LEU   67 - HN    LYS+  65   6.68 +/- 1.11  14.083% * 44.3406% (0.36   1.75   0.34) =  17.859%  kept
          HB2   LYS+  74 - HN    LYS+  65   9.22 +/- 2.75  11.912% *  0.4686% (0.34   0.02   0.02) =   0.160%  kept
          HB3   LEU   40 - HN    LYS+  65  12.84 +/- 1.43   1.764% *  0.9605% (0.69   0.02   0.02) =   0.048%
          QG2   THR   26 - HN    LYS+  65  12.74 +/- 2.97   7.001% *  0.2400% (0.17   0.02   0.02) =   0.048%
          HG    LEU  115 - HN    LYS+  65  13.89 +/- 2.05   1.707% *  0.9106% (0.65   0.02   0.02) =   0.044%
          QB    ALA  120 - HN    LYS+  65  14.45 +/- 2.06   1.485% *  0.9106% (0.65   0.02   0.02) =   0.039%
          HG    LEU   40 - HN    LYS+  65  10.95 +/- 1.36   3.157% *  0.3957% (0.28   0.02   0.02) =   0.036%
          HB3   LEU  115 - HN    LYS+  65  13.37 +/- 2.20   1.945% *  0.3957% (0.28   0.02   0.02) =   0.022%
          HD2   LYS+ 121 - HN    LYS+  65  14.96 +/- 2.11   1.160% *  0.1485% (0.11   0.02   0.02) =   0.005%
    Distance limit 3.82 A violated in 0 structures by 0.15 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.289, support = 4.13, residual support = 103.6:
          HG3   LYS+  65 - HN    LYS+  65   3.62 +/- 0.75  46.375% * 43.4391% (0.17   5.26 159.04) =  64.409%  kept
          HB2   LEU   63 - HN    LYS+  65   4.91 +/- 0.42  21.596% * 50.9960% (0.50   2.12   3.44) =  35.212%  kept
          HB3   ASP-  44 - HN    LYS+  65   8.27 +/- 2.54  10.002% *  0.5533% (0.58   0.02   0.02) =   0.177%  kept
          HB3   LEU   73 - HN    LYS+  65   9.99 +/- 1.93   5.940% *  0.2045% (0.21   0.02   0.02) =   0.039%
          HB3   PRO   93 - HN    LYS+  65  13.42 +/- 2.17   1.394% *  0.6566% (0.68   0.02   0.02) =   0.029%
          HB    VAL   42 - HN    LYS+  65   9.15 +/- 1.44   4.553% *  0.1652% (0.17   0.02   0.02) =   0.024%
          HG    LEU   98 - HN    LYS+  65  15.84 +/- 2.04   0.919% *  0.6566% (0.68   0.02   0.02) =   0.019%
          QB    ALA   84 - HN    LYS+  65  15.58 +/- 1.93   0.820% *  0.6609% (0.69   0.02   0.02) =   0.017%
          QB    ALA  124 - HN    LYS+  65  16.16 +/- 3.18   0.824% *  0.6266% (0.65   0.02   0.02) =   0.017%
          HB2   LYS+ 112 - HN    LYS+  65  16.24 +/- 2.63   1.331% *  0.2723% (0.28   0.02   0.02) =   0.012%
          HB3   LEU   80 - HN    LYS+  65  17.10 +/- 2.60   0.845% *  0.4018% (0.42   0.02   0.02) =   0.011%
          HG3   LYS+  33 - HN    LYS+  65  16.40 +/- 3.18   2.382% *  0.1311% (0.14   0.02   0.02) =   0.010%
          HG3   LYS+ 106 - HN    LYS+  65  16.92 +/- 2.03   0.778% *  0.3485% (0.36   0.02   0.02) =   0.009%
          HB2   LEU   31 - HN    LYS+  65  16.78 +/- 2.80   0.746% *  0.2970% (0.31   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HN    LYS+  65  20.89 +/- 2.93   0.451% *  0.2486% (0.26   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HN    LYS+  65  17.91 +/- 3.09   0.764% *  0.1160% (0.12   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    LYS+  65  22.31 +/- 2.66   0.280% *  0.2260% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.88, residual support = 29.3:
          QB    ALA   64 - HN    LYS+  65   2.88 +/- 0.19 100.000% *100.0000% (0.65   4.88  29.35) = 100.000%  kept
    Distance limit 3.48 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 = 0.747, residual support = 6.32:
          HA    ALA   61 - HN    ALA   64   3.54 +/- 0.30  78.337% * 95.1123% (0.95   0.75   6.35) =  99.554%  kept
          HD2   PRO   68 - HN    ALA   64   8.10 +/- 1.01   8.071% *  2.1470% (0.80   0.02   0.02) =   0.232%  kept
          HA    VAL   75 - HN    ALA   64   9.55 +/- 1.79  10.340% *  1.0063% (0.38   0.02   0.02) =   0.139%  kept
          HD3   PRO   58 - HN    ALA   64  10.70 +/- 0.83   3.252% *  1.7345% (0.65   0.02   0.02) =   0.075%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 4.21, residual support = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.79 +/- 0.09  86.178% * 99.0515% (0.95  10.0   4.22  20.69) =  99.911%  kept
          HB2   PHE   72 - HN    ALA   64   6.69 +/- 1.03   8.544% *  0.8742% (0.22   1.0   0.75  46.90) =   0.087%
          QE    LYS+  66 - HN    ALA   64   7.86 +/- 1.20   4.956% *  0.0233% (0.22   1.0   0.02   9.43) =   0.001%
          HB3   ASN   35 - HN    ALA   64  19.38 +/- 2.46   0.322% *  0.0510% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.874, support = 5.12, residual support = 27.7:
          QB    LYS+  65 - HN    ALA   64   4.36 +/- 0.21  53.541% * 83.5987% (0.92   5.35  29.35) =  91.637%  kept
          QB    LYS+  66 - HN    ALA   64   5.64 +/- 0.65  26.737% * 15.1170% (0.34   2.62   9.43) =   8.275%  kept
          HB2   LEU   71 - HN    ALA   64  10.21 +/- 1.30   5.726% *  0.3202% (0.95   0.02   0.02) =   0.038%
          HB3   GLN   17 - HN    ALA   64  11.91 +/- 2.62   4.193% *  0.2827% (0.84   0.02   1.01) =   0.024%
          HG2   PRO   93 - HN    ALA   64  14.09 +/- 2.40   3.300% *  0.2053% (0.61   0.02   0.02) =   0.014%
          QB    LYS+ 102 - HN    ALA   64  17.93 +/- 1.65   0.840% *  0.2827% (0.84   0.02   0.02) =   0.005%
          HB    VAL   41 - HN    ALA   64  11.97 +/- 1.75   3.210% *  0.0670% (0.20   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HN    ALA   64  15.41 +/- 3.46   1.804% *  0.0670% (0.20   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    ALA   64  19.33 +/- 1.45   0.649% *  0.0593% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.71 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 = 0.709, support = 7.46, residual support = 54.0:
          HB2   LEU   63 - HN    ALA   64   3.04 +/- 0.57  55.734% * 82.5627% (0.73   7.59  54.87) =  96.548%  kept
          HG3   LYS+  65 - HN    ALA   64   5.89 +/- 1.05  10.631% * 14.9205% (0.25   3.99  29.35) =   3.328%  kept
          HB3   ASP-  44 - HN    ALA   64   6.84 +/- 2.21  13.401% *  0.2502% (0.84   0.02   0.02) =   0.070%
          HB    VAL   42 - HN    ALA   64   7.55 +/- 1.49   6.545% *  0.0747% (0.25   0.02   0.02) =   0.010%
          HB3   LEU   73 - HN    ALA   64   9.30 +/- 1.87   5.191% *  0.0925% (0.31   0.02   4.24) =   0.010%
          HB3   PRO   93 - HN    ALA   64  12.16 +/- 2.05   1.294% *  0.2969% (0.99   0.02   0.02) =   0.008%
          HG    LEU   98 - HN    ALA   64  14.55 +/- 2.12   0.742% *  0.2969% (0.99   0.02   0.02) =   0.005%
          HB2   LYS+ 112 - HN    ALA   64  15.15 +/- 2.85   1.613% *  0.1232% (0.41   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    ALA   64  14.84 +/- 1.02   0.611% *  0.2989% (1.00   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    ALA   64  15.89 +/- 2.56   0.582% *  0.2834% (0.95   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    ALA   64  16.51 +/- 2.76   0.523% *  0.1817% (0.61   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ALA   64  15.76 +/- 2.75   0.694% *  0.1343% (0.45   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ALA   64  15.40 +/- 1.82   0.569% *  0.1576% (0.53   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    ALA   64  15.67 +/- 2.82   0.799% *  0.0593% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   64  19.70 +/- 3.00   0.333% *  0.1124% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   64  16.96 +/- 3.28   0.528% *  0.0525% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ALA   64  21.09 +/- 1.81   0.210% *  0.1022% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 6.72, residual support = 54.7:
          HG    LEU   63 - HN    ALA   64   3.91 +/- 1.15  72.102% * 97.0637% (0.53   6.74  54.87) =  99.701%  kept
          QG2   VAL   24 - HN    ALA   64  13.87 +/- 3.63   9.699% *  1.7458% (0.38   0.17   0.02) =   0.241%  kept
          HG3   LYS+ 112 - HN    ALA   64  15.01 +/- 2.72   3.279% *  0.5051% (0.92   0.02   0.02) =   0.024%
          QD1   ILE  119 - HN    ALA   64   8.96 +/- 1.45  10.457% *  0.1083% (0.20   0.02   0.02) =   0.016%
          QG2   VAL  108 - HN    ALA   64  14.41 +/- 1.50   2.207% *  0.3319% (0.61   0.02   0.02) =   0.010%
          HB2   LEU  104 - HN    ALA   64  14.79 +/- 2.65   2.256% *  0.2453% (0.45   0.02   0.02) =   0.008%
    Distance limit 4.71 A violated in 0 structures by 0.08 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.76, residual support = 54.8:
          HB3   LEU   63 - HN    ALA   64   3.55 +/- 0.60  53.110% * 99.3359% (0.97   6.77  54.87) =  99.883%  kept
          QG1   VAL   18 - HN    ALA   64   7.65 +/- 3.64  17.361% *  0.1600% (0.53   0.02   8.74) =   0.053%
          QG1   VAL   70 - HN    ALA   64   5.77 +/- 1.24  22.177% *  0.1251% (0.41   0.02   0.02) =   0.053%
          QD1   LEU   71 - HN    ALA   64   9.84 +/- 1.39   3.368% *  0.0677% (0.22   0.02   0.02) =   0.004%
          QD1   LEU  123 - HN    ALA   64  10.78 +/- 2.14   3.354% *  0.0677% (0.22   0.02   0.02) =   0.004%
          QG1   VAL  108 - HN    ALA   64  15.97 +/- 1.54   0.630% *  0.2436% (0.80   0.02   0.02) =   0.003%
    Distance limit 4.14 A violated in 0 structures by 0.04 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.837, support = 6.16, residual support = 54.8:
          QD2   LEU   63 - HN    ALA   64   3.87 +/- 0.69  40.024% * 60.5305% (1.00   5.87  54.87) =  62.440%  kept
          QD1   LEU   63 - HN    ALA   64   3.99 +/- 0.86  37.348% * 38.9605% (0.57   6.67  54.87) =  37.502%  kept
          QD1   LEU   73 - HN    ALA   64   8.84 +/- 2.02  12.992% *  0.1168% (0.57   0.02   4.24) =   0.039%
          QG2   VAL   41 - HN    ALA   64  10.44 +/- 1.10   2.282% *  0.1252% (0.61   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    ALA   64   9.66 +/- 1.51   3.618% *  0.0515% (0.25   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ALA   64  12.11 +/- 2.16   1.601% *  0.0848% (0.41   0.02   0.02) =   0.004%
          QD1   LEU   80 - HN    ALA   64  14.66 +/- 2.96   1.051% *  0.0848% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    ALA   64  14.41 +/- 2.36   1.084% *  0.0459% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.01 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   2.07 +/- 0.08 100.000% *100.0000% (0.95  10.0   4.22  20.69) = 100.000%  kept
    Distance limit 3.12 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 = 5.23, residual support = 42.3:
      O   HA    ASP-  62 - HN    LEU   63   3.55 +/- 0.06  95.754% * 99.8321% (0.97  10.0   5.23  42.31) =  99.997%  kept
          HB    THR   26 - HN    LEU   63  17.00 +/- 4.12   2.134% *  0.0828% (0.80   1.0   0.02   0.02) =   0.002%
          HA    SER  117 - HN    LEU   63  14.61 +/- 1.91   1.673% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    LEU   63  22.14 +/- 1.70   0.439% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.684, support = 1.48, residual support = 9.92:
          HA    PHE   60 - HN    LEU   63   3.48 +/- 0.43  84.060% * 78.9762% (0.69   1.50  10.06) =  98.605%  kept
          QB    SER   48 - HN    LEU   63  14.58 +/- 3.93   5.346% * 15.4765% (0.57   0.36   0.02) =   1.229%  kept
          QB    SER  117 - HN    LEU   63  13.64 +/- 1.64   1.791% *  1.5194% (0.99   0.02   0.02) =   0.040%
          HB    THR   94 - HN    LEU   63  12.42 +/- 1.56   2.342% *  1.0530% (0.69   0.02   0.02) =   0.037%
          HA2   GLY   51 - HN    LEU   63  15.56 +/- 2.68   1.867% *  1.2805% (0.84   0.02   0.02) =   0.036%
          HA    LYS+ 121 - HN    LEU   63  14.42 +/- 2.18   1.882% *  1.1715% (0.76   0.02   0.02) =   0.033%
          HA    ALA  120 - HN    LEU   63  13.18 +/- 2.41   2.711% *  0.5229% (0.34   0.02   0.02) =   0.021%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 239.6:
      O   HA    LEU   63 - HN    LEU   63   2.80 +/- 0.05  96.111% * 99.8508% (0.76  10.0   7.54 239.63) =  99.998%  kept
          HB2   HIS   22 - HN    LEU   63  17.17 +/- 4.92   3.616% *  0.0446% (0.34   1.0   0.02   0.02) =   0.002%
          HA2   GLY  101 - HN    LEU   63  21.20 +/- 2.61   0.273% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.23, residual support = 42.3:
          HB2   ASP-  62 - HN    LEU   63   3.52 +/- 0.52  95.613% * 99.7485% (0.98   5.23  42.31) =  99.994%  kept
          HB2   PRO   52 - HN    LEU   63  14.29 +/- 2.59   2.487% *  0.1745% (0.45   0.02   0.02) =   0.005%
          QB    ASP- 113 - HN    LEU   63  15.48 +/- 1.94   1.900% *  0.0770% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.3:
          HB3   ASP-  62 - HN    LEU   63   3.29 +/- 0.61  96.032% * 98.9491% (0.95   5.23  42.31) =  99.988%  kept
          HG3   MET   96 - HN    LEU   63  13.82 +/- 1.96   1.823% *  0.3693% (0.92   0.02   0.50) =   0.007%
          HG2   GLU-  29 - HN    LEU   63  20.83 +/- 4.05   0.988% *  0.1645% (0.41   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HN    LEU   63  19.84 +/- 2.12   0.706% *  0.2265% (0.57   0.02   0.02) =   0.002%
          HG2   GLU-  36 - HN    LEU   63  22.96 +/- 3.07   0.451% *  0.2905% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.12 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.725, support = 8.11, residual support = 239.3:
      O   HB2   LEU   63 - HN    LEU   63   2.22 +/- 0.25  80.382% * 97.1074% (0.73  10.0   8.12 239.63) =  99.862%  kept
          HG3   LYS+  65 - HN    LEU   63   6.39 +/- 1.12   5.463% *  1.7691% (0.25   1.0   1.06   3.44) =   0.124%  kept
          HB3   ASP-  44 - HN    LEU   63   7.28 +/- 1.96   4.263% *  0.1117% (0.84   1.0   0.02   0.02) =   0.006%
          HB3   PRO   93 - HN    LEU   63  11.17 +/- 2.27   1.220% *  0.1325% (0.99   1.0   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LEU   63   8.89 +/- 1.85   3.191% *  0.0333% (0.25   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   63  14.81 +/- 2.16   0.556% *  0.1265% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   63  11.09 +/- 2.49   1.650% *  0.0413% (0.31   1.0   0.02   0.14) =   0.001%
          HG    LEU   98 - HN    LEU   63  15.31 +/- 2.57   0.387% *  0.1325% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   63  13.18 +/- 2.56   0.890% *  0.0550% (0.41   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   63  15.16 +/- 0.88   0.293% *  0.1334% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.10 +/- 2.13   0.345% *  0.0704% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  17.46 +/- 2.73   0.241% *  0.0811% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  17.38 +/- 3.06   0.262% *  0.0600% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  18.06 +/- 2.75   0.262% *  0.0502% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  17.55 +/- 3.27   0.240% *  0.0265% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  17.83 +/- 3.29   0.248% *  0.0234% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.64 +/- 2.52   0.109% *  0.0456% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 238.5:
          HG    LEU   63 - HN    LEU   63   3.49 +/- 0.44  82.571% * 95.8219% (1.00   7.57 239.63) =  99.516%  kept
          QG2   VAL   24 - HN    LEU   63  14.88 +/- 4.07   9.548% *  3.9495% (0.98   0.32   0.92) =   0.474%  kept
          HG3   LYS+ 112 - HN    LEU   63  13.11 +/- 2.50   2.848% *  0.1842% (0.73   0.02   0.02) =   0.007%
          QG1   VAL  107 - HN    LEU   63  10.23 +/- 1.55   5.033% *  0.0444% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.35 A violated in 0 structures by 0.25 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.59, residual support = 239.6:
      O   HB3   LEU   63 - HN    LEU   63   3.23 +/- 0.43  72.284% * 99.7743% (0.97  10.0   7.59 239.63) =  99.984%  kept
          QG1   VAL   70 - HN    LEU   63   7.20 +/- 1.41  13.591% *  0.0425% (0.41   1.0   0.02   0.02) =   0.008%
          QG1   VAL   18 - HN    LEU   63   9.00 +/- 2.88   7.045% *  0.0544% (0.53   1.0   0.02   0.02) =   0.005%
          QD1   LEU  123 - HN    LEU   63   9.32 +/- 1.97   4.307% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
          QG1   VAL  108 - HN    LEU   63  15.22 +/- 1.59   0.829% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LEU   63  11.73 +/- 1.50   1.945% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.93, residual support = 237.6:
          QD1   LEU   63 - HN    LEU   63   3.46 +/- 0.75  41.813% * 46.0088% (0.90   6.47 239.63) =  51.724%  kept
          QD2   LEU   63 - HN    LEU   63   3.71 +/- 0.84  35.340% * 49.9212% (0.84   7.54 239.63) =  47.435%  kept
          QD1   LEU   73 - HN    LEU   63  10.23 +/- 2.49   8.032% *  3.7549% (0.90   0.53   0.14) =   0.811%  kept
          QD2   LEU  115 - HN    LEU   63   7.89 +/- 1.57  10.217% *  0.0898% (0.57   0.02   0.02) =   0.025%
          QD2   LEU   80 - HN    LEU   63  15.38 +/- 2.11   0.609% *  0.0834% (0.53   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    LEU   63  11.85 +/- 1.44   1.130% *  0.0441% (0.28   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   63  12.77 +/- 2.75   0.987% *  0.0489% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    LEU   63  12.87 +/- 2.27   1.096% *  0.0245% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   63  15.59 +/- 2.73   0.776% *  0.0245% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.01 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   2.53 +/- 0.49  98.458% * 99.9341% (0.84  10.0   3.83  41.00) =  99.999%  kept
          HB2   PRO   52 - HN    ASP-  62  13.88 +/- 2.04   0.920% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.92 +/- 1.19   0.622% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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   2.90 +/- 0.51  97.183% * 99.7231% (0.82  10.0   3.83  41.00) =  99.998%  kept
          HG3   MET   96 - HN    ASP-  62  14.67 +/- 2.21   1.477% *  0.0973% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HN    ASP-  62  20.42 +/- 2.56   0.579% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  21.64 +/- 4.21   0.502% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  24.19 +/- 3.39   0.260% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.342, support = 0.803, residual support = 0.703:
          QB    LYS+  66 - HN    ASP-  62   7.00 +/- 1.54  30.549% * 69.8959% (0.32   0.86   0.76) =  92.766%  kept
          HG    LEU  123 - HN    ASP-  62  11.76 +/- 1.72   8.865% *  4.0771% (0.82   0.02   0.02) =   1.570%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.30 +/- 2.32  10.391% *  2.4401% (0.49   0.02   0.02) =   1.102%  kept
          HB3   PRO   52 - HN    ASP-  62  14.08 +/- 2.32   5.103% *  4.0771% (0.82   0.02   0.02) =   0.904%  kept
          HB3   ASP- 105 - HN    ASP-  62  13.92 +/- 3.19   6.873% *  2.2676% (0.45   0.02   0.02) =   0.677%  kept
          HG3   PRO   68 - HN    ASP-  62  12.95 +/- 1.37   5.468% *  2.7882% (0.56   0.02   0.02) =   0.662%  kept
          HB    VAL   41 - HN    ASP-  62  14.78 +/- 2.52   5.030% *  2.4401% (0.49   0.02   0.02) =   0.533%  kept
          HG12  ILE  103 - HN    ASP-  62  17.67 +/- 3.19   3.647% *  3.1297% (0.63   0.02   0.02) =   0.496%  kept
          HG2   PRO   93 - HN    ASP-  62  12.76 +/- 2.46   9.501% *  0.7548% (0.15   0.02   0.02) =   0.312%  kept
          HB    ILE  103 - HN    ASP-  62  18.96 +/- 2.86   2.483% *  2.6142% (0.52   0.02   0.02) =   0.282%  kept
          QB    LYS+ 106 - HN    ASP-  62  13.83 +/- 1.98   5.371% *  1.0747% (0.21   0.02   0.02) =   0.251%  kept
          QB    LYS+  33 - HN    ASP-  62  17.72 +/- 3.22   3.020% *  1.7719% (0.35   0.02   0.02) =   0.232%  kept
          HB3   GLN   90 - HN    ASP-  62  20.35 +/- 2.33   1.713% *  1.4702% (0.29   0.02   0.02) =   0.109%  kept
          QB    LYS+  81 - HN    ASP-  62  18.85 +/- 1.84   1.987% *  1.1983% (0.24   0.02   0.02) =   0.103%  kept
    Distance limit 4.39 A violated in 9 structures by 1.88 A, kept.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.791, support = 2.75, residual support = 8.06:
          QB    ALA   61 - HN    ASP-  62   2.79 +/- 0.27  75.294% * 77.5363% (0.80   2.79   8.20) =  98.143%  kept
          QG    LYS+  66 - HN    ASP-  62   6.96 +/- 1.49   6.718% * 13.7032% (0.52   0.75   0.76) =   1.548%  kept
          HB3   LEU   67 - HN    ASP-  62   9.06 +/- 1.08   2.542% *  5.3518% (0.69   0.22   0.02) =   0.229%  kept
          HG    LEU   73 - HN    ASP-  62  11.75 +/- 3.43   8.809% *  0.2477% (0.35   0.02   0.02) =   0.037%
          HG12  ILE   19 - HN    ASP-  62  14.04 +/- 2.46   1.082% *  0.5971% (0.85   0.02   0.02) =   0.011%
          HB3   LYS+  74 - HN    ASP-  62  11.27 +/- 2.68   2.028% *  0.2933% (0.42   0.02   0.02) =   0.010%
          QB    ALA  110 - HN    ASP-  62  13.65 +/- 2.22   0.953% *  0.6025% (0.86   0.02   0.02) =   0.010%
          HD3   LYS+ 121 - HN    ASP-  62  13.65 +/- 1.56   0.819% *  0.3170% (0.45   0.02   0.02) =   0.004%
          HG    LEU   80 - HN    ASP-  62  18.53 +/- 3.21   0.380% *  0.6011% (0.86   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    ASP-  62  17.56 +/- 2.87   0.482% *  0.4138% (0.59   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  14.91 +/- 2.12   0.695% *  0.1502% (0.21   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ASP-  62  22.71 +/- 3.14   0.198% *  0.1860% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 913 (1.82, 7.59, 120.97 ppm):
    10 chemical-shift based assignments, quality = 0.833, support = 2.4, residual support = 4.94:
          QB    LYS+  65 - HN    LEU   63   4.59 +/- 0.51  44.787% * 48.8430% (0.76   2.65   3.44) =  61.513%  kept
          QB    LYS+  66 - HN    LEU   63   5.58 +/- 1.09  29.212% * 46.3285% (0.95   2.03   7.43) =  38.057%  kept
          HB2   LEU   71 - HN    LEU   63  12.50 +/- 1.36   2.806% *  2.7637% (0.73   0.16   0.02) =   0.218%  kept
          HG2   PRO   93 - HN    LEU   63  12.97 +/- 2.67   8.595% *  0.4782% (0.99   0.02   0.02) =   0.116%  kept
          HB    VAL   41 - HN    LEU   63  13.56 +/- 2.05   2.812% *  0.3863% (0.80   0.02   0.02) =   0.031%
          HG    LEU  123 - HN    LEU   63  12.24 +/- 2.31   4.787% *  0.1811% (0.38   0.02   0.02) =   0.024%
          HB3   PRO   52 - HN    LEU   63  14.55 +/- 2.84   2.562% *  0.1811% (0.38   0.02   0.02) =   0.013%
          HG12  ILE  103 - HN    LEU   63  16.71 +/- 2.81   1.404% *  0.3121% (0.65   0.02   0.02) =   0.012%
          QB    LYS+ 102 - HN    LEU   63  18.40 +/- 2.18   0.858% *  0.4185% (0.87   0.02   0.02) =   0.010%
          HB3   GLN   17 - HN    LEU   63  13.69 +/- 1.94   2.177% *  0.1074% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 4.99, residual support = 41.6:
      O   HA    PHE   60 - HN    ALA   61   3.60 +/- 0.04  86.899% * 99.3945% (0.69  10.0   4.99  41.63) =  99.985%  kept
          QB    SER   48 - HN    ALA   61  13.83 +/- 3.27   3.772% *  0.0819% (0.57   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    ALA   61  12.26 +/- 1.58   2.691% *  0.0994% (0.69   1.0   0.02   0.02) =   0.003%
          QB    SER  117 - HN    ALA   61  13.50 +/- 0.86   1.713% *  0.1434% (0.99   1.0   0.02   0.02) =   0.003%
          HA2   GLY   51 - HN    ALA   61  14.00 +/- 1.41   1.675% *  0.1209% (0.84   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    ALA   61  14.99 +/- 1.23   1.297% *  0.1106% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ALA   61  13.40 +/- 1.38   1.953% *  0.0494% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 2.75, residual support = 17.8:
      O   HA    ALA   61 - HN    ALA   61   2.78 +/- 0.06  86.542% * 94.5943% (0.95  10.0   2.76  17.93) =  99.351%  kept
          HD3   PRO   58 - HN    ALA   61   6.15 +/- 0.94  10.073% *  5.2881% (0.65   1.0   1.63   0.86) =   0.646%  kept
          HD2   PRO   68 - HN    ALA   61  12.48 +/- 1.12   1.085% *  0.0801% (0.80   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA   61  11.05 +/- 2.22   2.300% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.89, residual support = 41.6:
          HB2   PHE   60 - HN    ALA   61   3.19 +/- 0.43  91.192% * 99.4666% (0.84   4.89  41.63) =  99.988%  kept
          HB    THR   46 - HN    ALA   61   9.54 +/- 2.48   8.086% *  0.0964% (0.20   0.02   0.02) =   0.009%
          HB2   TRP   87 - HN    ALA   61  17.45 +/- 1.99   0.723% *  0.4370% (0.90   0.02   0.02) =   0.003%
    Distance limit 3.77 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 = 4.99, residual support = 41.6:
          HB3   PHE   60 - HN    ALA   61   3.53 +/- 0.81  86.078% * 99.1914% (0.98   4.99  41.63) =  99.970%  kept
          HB3   TRP   27 - HN    ALA   61  13.92 +/- 3.31   6.546% *  0.1521% (0.38   0.02   0.02) =   0.012%
          HB2   PHE   97 - HN    ALA   61  13.90 +/- 3.05   4.984% *  0.1666% (0.41   0.02   0.02) =   0.010%
          QE    LYS+ 106 - HN    ALA   61  15.75 +/- 1.87   1.809% *  0.3516% (0.87   0.02   0.02) =   0.007%
          HB2   ASN   35 - HN    ALA   61  22.28 +/- 3.30   0.583% *  0.1383% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.01, residual support = 17.9:
      O   QB    ALA   61 - HN    ALA   61   2.08 +/- 0.07  89.798% * 99.0576% (0.73  10.0   4.01  17.93) =  99.988%  kept
          HG    LEU   73 - HN    ALA   61  11.08 +/- 3.24   3.274% *  0.1352% (0.99   1.0   0.02   0.17) =   0.005%
          QG    LYS+  66 - HN    ALA   61   8.85 +/- 1.26   1.523% *  0.1337% (0.98   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   61   9.95 +/- 1.19   0.910% *  0.1183% (0.87   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ALA   61  12.62 +/- 3.45   1.292% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ALA   61  10.09 +/- 1.24   0.919% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   61  10.88 +/- 1.57   0.754% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ALA   61  13.83 +/- 2.85   0.717% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  13.33 +/- 2.52   0.518% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.09 +/- 3.61   0.210% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  22.73 +/- 3.10   0.085% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.755, support = 6.07, residual support = 39.9:
          HD3   PRO   58 - HN    PHE   59   2.86 +/- 0.67  89.781% * 95.5376% (0.76   6.09  40.09) =  99.622%  kept
          HA    ALA   61 - HN    PHE   59   7.15 +/- 0.34   7.838% *  4.0902% (0.26   0.75   0.51) =   0.372%  kept
          HA    VAL   75 - HN    PHE   59  13.91 +/- 2.08   1.376% *  0.3088% (0.74   0.02   0.02) =   0.005%
          HD2   PRO   68 - HN    PHE   59  15.15 +/- 1.61   1.006% *  0.0633% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.35, residual support = 57.7:
      O   HB2   PHE   59 - HN    PHE   59   2.53 +/- 0.57  86.902% * 97.3488% (0.76  10.0   4.36  57.80) =  99.867%  kept
          QB    PHE   55 - HN    PHE   59   7.44 +/- 0.83   4.532% *  2.3509% (0.73   1.0   0.51   0.02) =   0.126%  kept
          HB3   CYS   53 - HN    PHE   59   8.89 +/- 1.44   4.308% *  0.0675% (0.53   1.0   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    PHE   59  10.89 +/- 1.85   2.308% *  0.0596% (0.47   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - HN    PHE   59  12.67 +/- 3.00   1.233% *  0.0852% (0.67   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    PHE   59  14.86 +/- 1.71   0.717% *  0.0881% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.26 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 = 57.8:
      O   HB3   PHE   59 - HN    PHE   59   2.65 +/- 0.58  94.668% * 99.9594% (0.67  10.0   4.97  57.80) =  99.999%  kept
          HB2   PHE   95 - HN    PHE   59   9.67 +/- 2.41   4.569% *  0.0178% (0.12   1.0   0.02   0.02) =   0.001%
          HB3   TRP   49 - HN    PHE   59  16.53 +/- 1.74   0.763% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.193, support = 6.59, residual support = 40.0:
      O   HB2   PRO   58 - HN    PHE   59   3.37 +/- 0.45  86.781% * 97.4812% (0.19  10.0   6.60  40.09) =  99.835%  kept
          HB2   GLN  116 - HN    PHE   59   9.29 +/- 1.74   9.264% *  1.3861% (0.64   1.0   0.08   0.27) =   0.152%  kept
          HB3   PHE   97 - HN    PHE   59  14.17 +/- 3.23   1.994% *  0.2685% (0.53   1.0   0.02   0.02) =   0.006%
          QG    GLU-  79 - HN    PHE   59  17.25 +/- 2.93   1.223% *  0.3130% (0.62   1.0   0.02   0.02) =   0.005%
          HB2   GLU- 100 - HN    PHE   59  23.81 +/- 2.95   0.297% *  0.3609% (0.71   1.0   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    PHE   59  22.82 +/- 3.26   0.442% *  0.1903% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.41 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   2.86 +/- 0.34  90.208% * 98.7263% (0.76   6.29  40.09) =  99.984%  kept
          HB2   PRO   93 - HN    PHE   59   9.92 +/- 2.85   4.388% *  0.1316% (0.32   0.02   0.02) =   0.006%
          HG3   PRO   52 - HN    PHE   59  12.69 +/- 1.67   1.627% *  0.3139% (0.76   0.02   0.02) =   0.006%
          HB2   ARG+  54 - HN    PHE   59  10.25 +/- 0.70   2.269% *  0.0561% (0.14   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HN    PHE   59  23.14 +/- 3.39   0.243% *  0.3195% (0.77   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    PHE   59  17.71 +/- 1.66   0.445% *  0.0890% (0.21   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  30.74 +/- 4.51   0.116% *  0.3202% (0.77   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  15.30 +/- 2.32   0.704% *  0.0433% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.68, support = 6.17, residual support = 39.7:
      O   HB3   PRO   58 - HN    PHE   59   4.06 +/- 0.28  43.709% * 97.6194% (0.69  10.0   6.29  40.09) =  97.562%  kept
          HB    ILE   56 - HN    PHE   59   3.87 +/- 1.27  52.265% *  2.0356% (0.19   1.0   1.50  22.18) =   2.433%  kept
          HB2   MET   92 - HN    PHE   59  14.82 +/- 2.69   1.282% *  0.0790% (0.56   1.0   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    PHE   59  18.51 +/- 3.23   0.688% *  0.0616% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    PHE   59  14.25 +/- 2.03   1.329% *  0.0271% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   59  23.32 +/- 3.92   0.330% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  23.88 +/- 3.43   0.284% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  31.25 +/- 4.82   0.113% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 22.2:
          QG1   ILE   56 - HN    PHE   59   3.33 +/- 0.76  87.170% * 97.7314% (0.67   4.26  22.18) =  99.964%  kept
          HB2   LEU   73 - HN    PHE   59  14.34 +/- 3.48   2.157% *  0.3206% (0.47   0.02   0.02) =   0.008%
          HB3   MET   92 - HN    PHE   59  13.49 +/- 2.83   2.543% *  0.2370% (0.35   0.02   0.02) =   0.007%
          QD    LYS+ 106 - HN    PHE   59  14.61 +/- 2.06   1.353% *  0.4233% (0.62   0.02   0.02) =   0.007%
          QD    LYS+  99 - HN    PHE   59  17.90 +/- 3.27   0.664% *  0.4415% (0.64   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    PHE   59  15.08 +/- 1.78   1.500% *  0.1803% (0.26   0.02   0.02) =   0.003%
          HB2   LEU  123 - HN    PHE   59  11.61 +/- 1.26   3.121% *  0.0816% (0.12   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HN    PHE   59  19.40 +/- 3.16   0.530% *  0.4040% (0.59   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    PHE   59  16.91 +/- 1.77   0.963% *  0.1803% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.563, support = 0.02, residual support = 0.647:
          HA    ALA   61 - HN    ALA   57   8.63 +/- 0.89  70.531% * 14.7090% (0.34   0.02   1.21) =  52.485%  kept
          HA    VAL   24 - HN    ALA   57  19.98 +/- 4.46  14.646% * 41.6148% (0.97   0.02   0.02) =  30.836%  kept
          HD2   PRO   68 - HN    ALA   57  16.94 +/- 1.82  10.945% * 22.6869% (0.53   0.02   0.02) =  12.562%  kept
          HA    LYS+  38 - HN    ALA   57  24.76 +/- 3.42   3.878% * 20.9893% (0.49   0.02   0.02) =   4.117%  kept
    Distance limit 3.61 A violated in 20 structures by 4.92 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.345, support = 0.169, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   6.97 +/- 1.47  45.467% * 80.3885% (0.34   0.19   0.02) =  88.666%  kept
          HD2   ARG+  54 - HN    ALA   57   7.81 +/- 2.52  37.386% * 10.2820% (0.41   0.02   0.02) =   9.325%  kept
          HD3   PRO   93 - HN    ALA   57  12.07 +/- 3.78  13.567% *  4.9495% (0.20   0.02   0.02) =   1.629%  kept
          HD3   PRO   68 - HN    ALA   57  16.74 +/- 1.59   3.580% *  4.3800% (0.18   0.02   0.02) =   0.380%  kept
    Distance limit 4.59 A violated in 9 structures by 1.42 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 = 0.608, support = 4.72, residual support = 28.1:
          HB3   PRO   58 - HN    ALA   57   5.46 +/- 0.34  28.176% * 73.1092% (0.90   4.23  25.50) =  55.413%  kept
          HB    ILE   56 - HN    ALA   57   3.74 +/- 1.04  64.508% * 25.6681% (0.25   5.34  31.47) =  44.542%  kept
          HB2   MET   92 - HN    ALA   57  14.29 +/- 3.63   4.433% *  0.2801% (0.73   0.02   0.02) =   0.033%
          HB3   MET   96 - HN    ALA   57  15.80 +/- 1.82   1.427% *  0.0962% (0.25   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    ALA   57  20.07 +/- 3.54   0.570% *  0.2184% (0.57   0.02   0.02) =   0.003%
          HB3   GLU-  14 - HN    ALA   57  24.87 +/- 4.16   0.350% *  0.2030% (0.53   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    ALA   57  32.38 +/- 5.13   0.231% *  0.2801% (0.73   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    ALA   57  25.81 +/- 3.86   0.305% *  0.1448% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.03 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   2.40 +/- 0.43  94.450% * 99.4737% (0.92  10.0   4.85  24.24) =  99.996%  kept
          QD    LYS+  65 - HN    ALA   57  11.37 +/- 1.49   1.403% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   LEU  123 - HN    ALA   57  14.39 +/- 2.74   1.049% *  0.0697% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   57  13.66 +/- 2.45   1.174% *  0.0567% (0.53   1.0   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ALA   57  14.85 +/- 2.87   0.622% *  0.1068% (0.99   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ALA   57  16.09 +/- 2.11   0.521% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          QD    LYS+  33 - HN    ALA   57  21.56 +/- 3.57   0.318% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  20.02 +/- 2.97   0.261% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  23.68 +/- 3.96   0.200% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.28, residual support = 31.5:
          QG2   ILE   56 - HN    ALA   57   3.62 +/- 0.65  84.506% * 97.4601% (0.87   5.28  31.47) =  99.951%  kept
          QB    ALA   91 - HN    ALA   57  13.43 +/- 2.45   2.510% *  0.4105% (0.97   0.02   0.02) =   0.013%
          HG13  ILE   19 - HN    ALA   57  18.74 +/- 3.34   3.057% *  0.2922% (0.69   0.02   0.02) =   0.011%
          HG2   LYS+  74 - HN    ALA   57  14.46 +/- 3.37   3.515% *  0.1907% (0.45   0.02   0.02) =   0.008%
          QG2   THR   39 - HN    ALA   57  18.44 +/- 2.87   0.929% *  0.4105% (0.97   0.02   0.02) =   0.005%
          HG    LEU   71 - HN    ALA   57  19.39 +/- 3.14   1.967% *  0.1749% (0.41   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    ALA   57  18.07 +/- 4.34   1.884% *  0.1451% (0.34   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    ALA   57  18.12 +/- 2.43   0.875% *  0.2922% (0.69   0.02   0.02) =   0.003%
          HG3   LYS+  38 - HN    ALA   57  26.70 +/- 4.10   0.290% *  0.4169% (0.98   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    ALA   57  22.88 +/- 3.49   0.466% *  0.2070% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.13 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.61, residual support = 60.8:
      O   HB2   ASN   69 - HD21  ASN   69   3.25 +/- 0.47  87.162% * 98.3635% (0.36  10.0   3.62  60.89) =  99.823%  kept
          QE    LYS+  66 - HD21  ASN   69  10.85 +/- 2.67  10.357% *  1.4530% (0.47   1.0   0.23   0.22) =   0.175%  kept
          HB3   ASN   35 - HD21  ASN   69  15.87 +/- 3.07   1.574% *  0.0800% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HD21  ASN   69  20.08 +/- 2.47   0.567% *  0.0800% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   69  23.88 +/- 2.93   0.340% *  0.0235% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.309, support = 3.9, residual support = 25.2:
          QG1   VAL   70 - HD21  ASN   69   3.84 +/- 0.77  56.409% * 81.9482% (0.32   4.12  27.00) =  93.244%  kept
          QD1   LEU   71 - HD21  ASN   69   6.18 +/- 1.55  26.387% * 11.1946% (0.19   0.93   0.02) =   5.958%  kept
          QD1   LEU  123 - HD21  ASN   69  14.82 +/- 4.83   6.469% *  5.2172% (0.19   0.44   0.02) =   0.681%  kept
          QG1   VAL   18 - HD21  ASN   69  12.04 +/- 4.09   7.388% *  0.4827% (0.39   0.02   0.02) =   0.072%
          HB3   LEU   63 - HD21  ASN   69  11.05 +/- 1.67   2.755% *  0.7027% (0.56   0.02   0.02) =   0.039%
          QG1   VAL  108 - HD21  ASN   69  20.55 +/- 2.79   0.592% *  0.4546% (0.36   0.02   0.02) =   0.005%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.418, support = 0.02, residual support = 0.02:
          HA    LYS+  99 - HD21  ASN   69  14.08 +/- 6.33  15.900% * 19.7883% (0.53   0.02   0.02) =  28.425%  kept
          HA    ASN   35 - HD21  ASN   69  13.64 +/- 3.08  14.424% * 17.4728% (0.47   0.02   0.02) =  22.768%  kept
          HA    LEU  123 - HD21  ASN   69  18.25 +/- 7.13  12.985% * 14.3693% (0.39   0.02   0.02) =  16.857%  kept
          HA    LEU   40 - HD21  ASN   69   8.73 +/- 2.43  37.503% *  2.8311% (0.08   0.02   0.02) =   9.592%  kept
          HA    ILE   56 - HD21  ASN   69  19.70 +/- 3.26   6.202% * 16.7505% (0.45   0.02   0.02) =   9.386%  kept
          HA    PHE   59 - HD21  ASN   69  15.88 +/- 2.53  10.232% *  8.6000% (0.23   0.02   0.02) =   7.950%  kept
          HA    ASP- 113 - HD21  ASN   69  24.21 +/- 3.87   2.754% * 20.1881% (0.54   0.02   0.02) =   5.022%  kept
    Distance limit 4.93 A violated in 13 structures by 2.96 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.957, support = 3.97, residual support = 20.1:
          QB    PHE   55 - HN    ILE   56   3.08 +/- 0.36  58.497% * 59.4822% (0.97   4.32  22.07) =  88.706%  kept
          HD2   ARG+  54 - HN    ILE   56   6.37 +/- 1.04  10.420% * 22.9881% (0.92   1.74   0.11) =   6.107%  kept
          HB3   CYS   53 - HN    ILE   56   5.42 +/- 0.65  12.654% *  8.7078% (0.97   0.63   0.02) =   2.809%  kept
          HB2   PHE   59 - HN    ILE   56   6.07 +/- 1.22  11.216% *  8.1844% (0.76   0.75  22.18) =   2.340%  kept
          HD3   PRO   93 - HN    ILE   56  10.54 +/- 4.18   4.668% *  0.2849% (1.00   0.02   0.02) =   0.034%
          HD3   PRO   68 - HN    ILE   56  17.78 +/- 2.42   0.466% *  0.2831% (0.99   0.02   0.02) =   0.003%
          HD3   PRO   93 - HZ2   TRP   87  16.55 +/- 1.66   0.493% *  0.0124% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  19.60 +/- 3.98   0.432% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  18.75 +/- 2.12   0.331% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  18.07 +/- 2.58   0.390% *  0.0095% (0.03   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.68 +/- 1.95   0.275% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  24.12 +/- 2.67   0.160% *  0.0114% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.866, support = 5.93, residual support = 124.3:
      O   HB    ILE   56 - HN    ILE   56   3.36 +/- 0.58  49.344% * 94.5211% (0.87  10.0   5.96 125.03) =  99.447%  kept
          HB3   PRO   58 - HN    ILE   56   8.23 +/- 0.74   4.125% *  4.3627% (0.80   1.0   1.00   0.02) =   0.384%  kept
          HG2   ARG+  54 - HN    ILE   56   5.62 +/- 0.68  14.039% *  0.5357% (0.18   1.0   0.56   0.11) =   0.160%  kept
          HB2   MET   92 - HN    ILE   56  12.67 +/- 4.06   1.904% *  0.1031% (0.95   1.0   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    ILE   56  14.52 +/- 2.08   0.901% *  0.0489% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ILE   56  21.23 +/- 3.00   0.365% *  0.1087% (1.00   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ILE   56  18.83 +/- 2.80   0.479% *  0.0448% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  18.37 +/- 3.11   0.439% *  0.0372% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  16.44 +/- 2.64   0.625% *  0.0216% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  27.04 +/- 3.48   0.119% *  0.1052% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  14.09 +/- 5.35   2.437% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87   9.80 +/- 3.39   5.371% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  19.66 +/- 3.01   0.519% *  0.0147% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  23.06 +/- 2.97   0.230% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  10.86 +/- 3.91   7.812% *  0.0007% (0.01   1.0   0.02   0.51) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  13.70 +/- 3.35   4.558% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.40 +/- 1.41   2.176% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  21.33 +/- 2.33   0.249% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  16.28 +/- 2.05   0.620% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  19.53 +/- 4.25   0.435% *  0.0046% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  34.01 +/- 5.11   0.111% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.18 +/- 1.14   0.867% *  0.0016% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  16.38 +/- 4.40   0.910% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.38 +/- 2.20   0.287% *  0.0041% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  21.17 +/- 2.42   0.244% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  20.98 +/- 4.53   0.478% *  0.0006% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  22.95 +/- 2.62   0.199% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  30.88 +/- 6.56   0.157% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.20 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.23, residual support = 125.0:
          QG1   ILE   56 - HN    ILE   56   3.45 +/- 0.68  57.948% * 98.0503% (0.87   5.24 125.03) =  99.951%  kept
          HB3   MET   92 - HN    ILE   56  11.38 +/- 4.04   4.819% *  0.1936% (0.45   0.02   0.02) =   0.016%
          QD    LYS+ 106 - HN    ILE   56  15.80 +/- 2.00   1.053% *  0.3457% (0.80   0.02   0.02) =   0.006%
          HD2   LYS+ 111 - HN    ILE   56  13.74 +/- 2.92   1.960% *  0.1473% (0.34   0.02   0.02) =   0.005%
          HB2   LEU   73 - HN    ILE   56  16.82 +/- 3.15   0.985% *  0.2619% (0.61   0.02   0.02) =   0.005%
          QD    LYS+ 106 - HZ2   TRP   87   9.59 +/- 4.01  15.545% *  0.0150% (0.03   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    ILE   56  20.72 +/- 2.98   0.629% *  0.3607% (0.84   0.02   0.02) =   0.004%
          HB    ILE   89 - HN    ILE   56  16.46 +/- 2.29   0.922% *  0.1473% (0.34   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HN    ILE   56  22.44 +/- 2.63   0.384% *  0.3300% (0.76   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    ILE   56  15.13 +/- 2.46   0.966% *  0.0666% (0.15   0.02   0.02) =   0.001%
          HB2   LEU   73 - HZ2   TRP   87  12.91 +/- 3.55   4.521% *  0.0114% (0.03   0.02   0.10) =   0.001%
          QD    LYS+  99 - HZ2   TRP   87  13.60 +/- 2.56   1.934% *  0.0157% (0.04   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HZ2   TRP   87  13.50 +/- 2.90   2.024% *  0.0143% (0.03   0.02   0.02) =   0.001%
          HB    ILE   89 - HZ2   TRP   87   9.18 +/- 1.11   3.995% *  0.0064% (0.01   0.02  18.93) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  16.29 +/- 2.12   0.893% *  0.0163% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  16.02 +/- 2.07   0.828% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  22.13 +/- 3.25   0.324% *  0.0064% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  24.26 +/- 3.86   0.268% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.06 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.432, support = 0.443, residual support = 0.623:
          QB    ALA   61 - HN    ILE   56   8.40 +/- 0.90   9.876% * 27.0876% (0.38   0.56   1.60) =  30.041%  kept
          HG    LEU  115 - HN    ILE   56   8.30 +/- 1.27  10.781% * 19.7770% (0.38   0.41   0.10) =  23.944%  kept
          QB    ALA  110 - HN    ILE   56  10.20 +/- 3.87  13.580% * 13.9608% (0.20   0.55   0.46) =  21.290%  kept
          HB3   LEU  115 - HN    ILE   56   8.89 +/- 1.65   8.463% * 18.6980% (0.92   0.16   0.10) =  17.770%  kept
          HG    LEU   73 - HZ2   TRP   87  12.60 +/- 3.81   7.249% *  4.1900% (0.04   0.84   0.10) =   3.411%  kept
          HG    LEU   67 - HN    ILE   56  16.50 +/- 2.72   3.040% *  2.1396% (0.84   0.02   0.02) =   0.730%  kept
          QG    LYS+  66 - HN    ILE   56  13.08 +/- 1.63   2.894% *  1.8601% (0.73   0.02   0.02) =   0.605%  kept
          HG    LEU   73 - HN    ILE   56  17.09 +/- 3.53   2.086% *  2.2973% (0.90   0.02   0.02) =   0.538%  kept
          QB    ALA  120 - HN    ILE   56  12.60 +/- 1.47   3.379% *  0.9614% (0.38   0.02   0.02) =   0.365%  kept
          HG    LEU   40 - HN    ILE   56  18.50 +/- 3.10   1.224% *  2.3646% (0.92   0.02   0.02) =   0.325%  kept
          HB3   LEU   67 - HN    ILE   56  15.80 +/- 2.41   2.082% *  1.3477% (0.53   0.02   0.02) =   0.315%  kept
          HG    LEU   40 - HZ2   TRP   87  14.15 +/- 3.68   2.937% *  0.7185% (0.04   0.14   0.02) =   0.237%  kept
          HG2   LYS+ 102 - HN    ILE   56  26.12 +/- 2.40   0.347% *  2.4721% (0.97   0.02   0.02) =   0.096%
          HG12  ILE   19 - HN    ILE   56  20.22 +/- 3.09   1.288% *  0.3952% (0.15   0.02   0.02) =   0.057%
          HG    LEU   80 - HN    ILE   56  20.50 +/- 3.49   0.883% *  0.5703% (0.22   0.02   0.02) =   0.057%
          HB3   LEU   40 - HN    ILE   56  20.15 +/- 3.32   0.943% *  0.5069% (0.20   0.02   0.02) =   0.054%
          HG2   LYS+ 102 - HZ2   TRP   87  14.24 +/- 3.49   3.297% *  0.1073% (0.04   0.02   0.02) =   0.040%
          QG    LYS+  66 - HZ2   TRP   87  17.48 +/- 3.50   3.445% *  0.0807% (0.03   0.02   0.02) =   0.031%
          HG    LEU   80 - HZ2   TRP   87   9.76 +/- 1.89   9.016% *  0.0247% (0.01   0.02   0.02) =   0.025%
          HG    LEU   67 - HZ2   TRP   87  17.34 +/- 4.19   1.668% *  0.0929% (0.04   0.02   0.02) =   0.017%
          HB3   LEU  115 - HZ2   TRP   87  17.86 +/- 2.73   1.108% *  0.1026% (0.04   0.02   0.02) =   0.013%
          QB    ALA   61 - HZ2   TRP   87  14.79 +/- 2.29   2.156% *  0.0417% (0.02   0.02   0.02) =   0.010%
          HB3   LEU   67 - HZ2   TRP   87  17.49 +/- 3.68   1.326% *  0.0585% (0.02   0.02   0.02) =   0.009%
          HB3   LEU   40 - HZ2   TRP   87  15.09 +/- 3.77   2.168% *  0.0220% (0.01   0.02   0.02) =   0.005%
          HG    LEU  115 - HZ2   TRP   87  18.88 +/- 2.49   0.944% *  0.0417% (0.02   0.02   0.02) =   0.004%
          QB    ALA  120 - HZ2   TRP   87  19.50 +/- 3.06   0.793% *  0.0417% (0.02   0.02   0.02) =   0.004%
          HG12  ILE   19 - HZ2   TRP   87  16.85 +/- 4.49   1.776% *  0.0172% (0.01   0.02   0.02) =   0.003%
          QB    ALA  110 - HZ2   TRP   87  16.62 +/- 2.24   1.248% *  0.0220% (0.01   0.02   0.02) =   0.003%
    Distance limit 4.41 A violated in 11 structures by 1.52 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 = 125.0:
          QG2   ILE   56 - HN    ILE   56   2.72 +/- 0.69  81.714% * 98.4701% (1.00   6.72 125.03) =  99.988%  kept
          QB    ALA   91 - HN    ILE   56  12.18 +/- 2.64   1.769% *  0.2128% (0.73   0.02   0.02) =   0.005%
          QG2   THR   23 - HN    ILE   56  18.84 +/- 3.90   0.639% *  0.1896% (0.65   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    ILE   56  19.08 +/- 2.09   0.430% *  0.2772% (0.95   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   56  19.32 +/- 2.95   0.432% *  0.2128% (0.73   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ILE   56  15.21 +/- 3.05   1.401% *  0.0580% (0.20   0.02   0.02) =   0.001%
          QB    ALA   34 - HZ2   TRP   87  12.37 +/- 4.23   3.392% *  0.0120% (0.04   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   56  27.95 +/- 3.73   0.118% *  0.2772% (0.95   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  20.20 +/- 2.88   0.289% *  0.1100% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  20.68 +/- 3.57   0.404% *  0.0513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  23.77 +/- 2.88   0.234% *  0.0652% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  14.32 +/- 3.42   1.294% *  0.0092% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  15.06 +/- 4.37   1.210% *  0.0082% (0.03   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  13.36 +/- 0.68   0.958% *  0.0092% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  16.23 +/- 2.33   0.616% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  20.57 +/- 4.48   0.401% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  16.83 +/- 4.42   0.772% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  12.88 +/- 3.10   1.433% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  16.88 +/- 4.98   1.484% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  14.83 +/- 2.53   1.009% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.10 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.909, support = 5.6, residual support = 82.6:
          HB3   CYS   53 - HN    ARG+  54   3.94 +/- 0.39  28.750% * 36.6485% (0.94   5.54  31.75) =  43.104%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.43 +/- 0.61  22.244% * 44.0014% (0.95   6.59 170.28) =  40.041%  kept
          QB    PHE   55 - HN    ARG+  54   4.27 +/- 0.20  21.972% * 18.4374% (0.76   3.45   4.27) =  16.573%  kept
          HB2   PHE   59 - HN    ASP-  62   5.44 +/- 0.64  12.020% *  0.4929% (0.09   0.75   6.47) =   0.242%  kept
          HD3   PRO   93 - HN    ARG+  54  10.43 +/- 4.17   5.012% *  0.1198% (0.85   0.02   0.02) =   0.025%
          HB2   PHE   59 - HN    ARG+  54   9.55 +/- 1.51   2.233% *  0.0703% (0.50   0.02   0.02) =   0.006%
          HB3   CYS   53 - HN    ASP-  62  10.78 +/- 2.60   2.498% *  0.0248% (0.18   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    ARG+  54  19.57 +/- 3.31   0.359% *  0.1158% (0.82   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ASP-  62  10.86 +/- 1.16   1.558% *  0.0217% (0.15   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    ASP-  62  10.65 +/- 0.78   1.441% *  0.0200% (0.14   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HN    ASP-  62  13.26 +/- 2.36   1.021% *  0.0250% (0.18   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    ASP-  62  14.07 +/- 2.21   0.892% *  0.0224% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.80 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 = 170.3:
      O   HB2   ARG+  54 - HN    ARG+  54   2.47 +/- 0.46  84.493% * 96.9633% (0.26  10.0   6.60 170.28) =  99.986%  kept
          HB2   LYS+ 111 - HN    ARG+  54  14.12 +/- 2.19   0.650% *  0.2793% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ARG+  54  14.11 +/- 2.01   0.801% *  0.1974% (0.54   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    ARG+  54  22.19 +/- 3.83   0.319% *  0.3457% (0.94   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ARG+  54  16.93 +/- 3.05   0.617% *  0.1190% (0.32   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    ASP-  62  10.00 +/- 0.76   1.971% *  0.0369% (0.10   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ARG+  54  22.58 +/- 2.82   0.184% *  0.3025% (0.82   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ARG+  54  13.58 +/- 1.29   0.667% *  0.0776% (0.21   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ARG+  54  25.94 +/- 4.98   0.268% *  0.1835% (0.50   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP-  62  13.25 +/- 1.28   0.694% *  0.0647% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ARG+  54  23.13 +/- 2.93   0.163% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ASP-  62  15.41 +/- 3.25   0.702% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  22.55 +/- 2.77   0.193% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  24.71 +/- 2.56   0.127% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  14.86 +/- 2.31   0.610% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  15.48 +/- 3.20   0.773% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  21.27 +/- 3.88   0.553% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.82 +/- 1.55   1.090% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  16.69 +/- 1.87   0.368% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.44 +/- 2.09   1.638% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  20.58 +/- 2.63   0.276% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  17.45 +/- 2.08   0.343% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  29.04 +/- 3.09   0.071% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  21.15 +/- 4.44   0.283% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.85 +/- 1.18   0.651% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.88 +/- 1.91   0.375% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.73 +/- 1.61   0.941% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  22.60 +/- 3.04   0.179% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.906, support = 6.43, residual support = 161.9:
          HG2   ARG+  54 - HN    ARG+  54   3.44 +/- 0.49  51.822% * 81.8403% (0.94   6.60 170.28) =  95.030%  kept
          HB3   PRO   52 - HN    ARG+  54   5.34 +/- 0.39  14.950% * 13.3633% (0.29   3.46   1.92) =   4.476%  kept
          HB    ILE   56 - HN    ARG+  54   7.10 +/- 0.88   8.254% *  2.4659% (0.46   0.41   0.11) =   0.456%  kept
          QB    LYS+  81 - HN    ARG+  54  17.82 +/- 3.74   1.011% *  0.2309% (0.87   0.02   0.02) =   0.005%
          HB3   GLN   90 - HN    ARG+  54  17.71 +/- 3.83   0.813% *  0.2414% (0.91   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    ARG+  54  18.90 +/- 2.96   0.662% *  0.2496% (0.94   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ASP-  62   7.75 +/- 1.25   6.764% *  0.0228% (0.09   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ARG+  54  16.02 +/- 2.43   0.677% *  0.2243% (0.85   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ARG+  54  21.49 +/- 3.85   0.623% *  0.2414% (0.91   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    ASP-  62  12.30 +/- 2.32   2.283% *  0.0464% (0.18   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ASP-  62  13.92 +/- 3.19   1.376% *  0.0467% (0.18   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ARG+  54  22.93 +/- 3.13   0.246% *  0.2452% (0.93   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ASP-  62  12.95 +/- 1.37   1.271% *  0.0452% (0.17   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ARG+  54  17.60 +/- 3.05   0.648% *  0.0772% (0.29   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ARG+  54  24.36 +/- 3.15   0.181% *  0.2479% (0.94   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ASP-  62  13.83 +/- 1.98   1.067% *  0.0420% (0.16   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP-  62  17.72 +/- 3.22   0.784% *  0.0464% (0.18   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ASP-  62  11.76 +/- 1.72   2.246% *  0.0144% (0.05   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    ASP-  62  14.08 +/- 2.32   1.414% *  0.0144% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  18.96 +/- 2.86   0.421% *  0.0459% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  18.85 +/- 1.84   0.360% *  0.0432% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  20.35 +/- 2.33   0.344% *  0.0452% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  22.51 +/- 3.11   0.253% *  0.0495% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  15.60 +/- 3.12   1.096% *  0.0093% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  28.83 +/- 4.05   0.109% *  0.0853% (0.32   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  21.12 +/- 2.97   0.327% *  0.0160% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.08 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.178, support = 2.69, residual support = 7.88:
          QB    ALA   61 - HN    ASP-  62   2.79 +/- 0.27  67.529% * 52.1714% (0.16   2.79   8.20) =  95.936%  kept
          QB    ALA  110 - HN    ARG+  54  11.27 +/- 3.79   4.176% * 17.5734% (0.95   0.16   0.02) =   1.998%  kept
          QG    LYS+  66 - HN    ASP-  62   6.96 +/- 1.49   6.030% *  9.2204% (0.11   0.75   0.76) =   1.514%  kept
          HB3   LEU   67 - HN    ASP-  62   9.06 +/- 1.08   2.277% *  3.6010% (0.14   0.22   0.02) =   0.223%  kept
          QB    ALA   61 - HN    ARG+  54  10.26 +/- 1.32   1.618% *  2.0000% (0.87   0.02   0.02) =   0.088%
          HG    LEU   73 - HN    ASP-  62  11.75 +/- 3.43   7.874% *  0.1667% (0.07   0.02   0.02) =   0.036%
          QG    LYS+  66 - HN    ARG+  54  14.69 +/- 2.74   0.970% *  1.3141% (0.57   0.02   0.02) =   0.035%
          HD3   LYS+ 121 - HN    ARG+  54  19.59 +/- 3.27   0.888% *  1.1399% (0.50   0.02   0.02) =   0.028%
          HB3   LEU   67 - HN    ARG+  54  17.47 +/- 2.93   0.449% *  1.7348% (0.76   0.02   0.02) =   0.021%
          HG    LEU   80 - HN    ARG+  54  20.12 +/- 3.38   0.293% *  2.1617% (0.94   0.02   0.02) =   0.017%
          HB2   LEU   80 - HN    ARG+  54  19.14 +/- 3.39   0.392% *  1.4882% (0.65   0.02   0.02) =   0.016%
          HB3   LYS+  74 - HN    ARG+  54  16.90 +/- 2.59   0.515% *  1.0546% (0.46   0.02   0.02) =   0.015%
          HG12  ILE   19 - HN    ARG+  54  21.63 +/- 3.09   0.226% *  2.1474% (0.94   0.02   0.02) =   0.013%
          HG    LEU   73 - HN    ARG+  54  18.36 +/- 3.39   0.497% *  0.8907% (0.39   0.02   0.02) =   0.012%
          HG12  ILE   19 - HN    ASP-  62  14.04 +/- 2.46   0.972% *  0.4018% (0.18   0.02   0.02) =   0.011%
          HB3   LYS+  74 - HN    ASP-  62  11.27 +/- 2.68   1.816% *  0.1973% (0.09   0.02   0.02) =   0.010%
          QB    ALA  110 - HN    ASP-  62  13.65 +/- 2.22   0.852% *  0.4054% (0.18   0.02   0.02) =   0.009%
          HD3   LYS+ 121 - HN    ASP-  62  13.65 +/- 1.56   0.734% *  0.2133% (0.09   0.02   0.02) =   0.004%
          HG    LEU   80 - HN    ASP-  62  18.53 +/- 3.21   0.341% *  0.4045% (0.18   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    ARG+  54  19.77 +/- 2.23   0.232% *  0.5402% (0.24   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  17.56 +/- 2.87   0.432% *  0.2785% (0.12   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ASP-  62  14.91 +/- 2.12   0.623% *  0.1011% (0.04   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ARG+  54  27.73 +/- 3.33   0.085% *  0.6687% (0.29   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ASP-  62  22.71 +/- 3.14   0.178% *  0.1251% (0.05   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 947 (3.96, 9.57, 121.38 ppm):
    12 chemical-shift based assignments, quality = 0.461, support = 2.74, residual support = 10.8:
      O   HA2   GLY   51 - HN    GLY   51   2.65 +/- 0.23  43.544% * 83.6624% (0.49  10.0   2.21  10.17) =  82.449%  kept
          HD2   PRO   52 - HN    GLY   51   2.67 +/- 0.95  50.848% * 15.2377% (0.34   1.0   5.20  13.52) =  17.535%  kept
          QB    SER   48 - HN    GLY   51   7.23 +/- 1.17   3.967% *  0.1314% (0.76   1.0   0.02   0.02) =   0.012%
          HB    THR   94 - HN    GLY   51  12.90 +/- 2.02   0.575% *  0.1112% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    GLY   51  18.45 +/- 3.38   0.304% *  0.1587% (0.92   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    GLY   51  18.36 +/- 3.17   0.167% *  0.1659% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    GLY   51  21.50 +/- 2.60   0.093% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  26.58 +/- 4.89   0.063% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  17.66 +/- 2.17   0.166% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  23.39 +/- 2.48   0.062% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  19.02 +/- 3.26   0.154% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  28.39 +/- 4.42   0.057% *  0.0340% (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 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.55, residual support = 7.59:
      O   QB    CYS   50 - HN    CYS   50   2.89 +/- 0.28  92.668% * 99.6207% (0.69  10.0   1.55   7.59) =  99.989%  kept
          HB3   ASP-  78 - HN    CYS   50  14.05 +/- 5.95   4.418% *  0.1565% (0.84   1.0   0.02   0.02) =   0.007%
          QE    LYS+  74 - HN    CYS   50  13.19 +/- 3.57   2.203% *  0.1361% (0.73   1.0   0.02   0.02) =   0.003%
          HB3   ASN   69 - HN    CYS   50  22.77 +/- 4.25   0.316% *  0.0578% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  20.38 +/- 2.30   0.395% *  0.0289% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 2.0, residual support = 6.86:
          QB    ALA   47 - HN    CYS   50   3.34 +/- 1.22  78.939% * 97.6738% (0.57   2.00   6.88) =  99.802%  kept
          QB    ALA   64 - HN    CYS   50  13.29 +/- 2.18   7.431% *  1.2516% (0.73   0.02   0.02) =   0.120%  kept
          QG1   VAL   42 - HN    CYS   50  13.71 +/- 2.46   4.022% *  0.7728% (0.45   0.02   0.02) =   0.040%
          HG2   LYS+ 112 - HN    CYS   50  13.21 +/- 3.35   9.608% *  0.3019% (0.18   0.02   0.02) =   0.038%
    Distance limit 4.32 A violated in 0 structures by 0.14 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.296, support = 3.46, residual support = 14.4:
      O   HA    SER   48 - HN    TRP   49   3.53 +/- 0.06  35.327% * 70.3718% (0.22  10.0   3.25  14.40) =  67.387%  kept
          QB    SER   48 - HN    TRP   49   3.29 +/- 0.42  43.234% * 27.7455% (0.45   1.0   3.92  14.40) =  32.515%  kept
          HD2   PRO   52 - HN    TRP   49   6.23 +/- 1.42  11.942% *  0.2045% (0.65   1.0   0.02   3.23) =   0.066%
          HA2   GLY   51 - HN    TRP   49   7.24 +/- 1.00   4.812% *  0.0704% (0.22   1.0   0.02   0.02) =   0.009%
          QB    SER   85 - HN    TRP   49  15.86 +/- 3.50   0.704% *  0.3050% (0.97   1.0   0.02   0.02) =   0.006%
          HA    LYS+  65 - HN    TRP   49  18.65 +/- 4.10   0.539% *  0.3133% (0.99   1.0   0.02   0.02) =   0.005%
          HA    GLN   32 - HN    TRP   49  27.32 +/- 5.26   1.005% *  0.1417% (0.45   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    TRP   49  11.91 +/- 1.57   1.122% *  0.1078% (0.34   1.0   0.02   0.02) =   0.003%
          HA    ALA   88 - HN    TRP   49  16.64 +/- 4.08   0.853% *  0.1299% (0.41   1.0   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    TRP   49  26.56 +/- 5.28   0.116% *  0.3050% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    TRP   49  23.40 +/- 2.67   0.161% *  0.2171% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    TRP   49  24.76 +/- 3.00   0.185% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.1, residual support = 85.9:
      O   HB3   TRP   49 - HN    TRP   49   3.02 +/- 0.39  98.607% * 99.8958% (0.80  10.0   4.10  85.95) =  99.999%  kept
          HB3   PHE   59 - HN    TRP   49  14.52 +/- 1.98   1.393% *  0.1042% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.393, support = 2.46, residual support = 9.18:
      O   QB    SER   48 - HN    SER   48   2.36 +/- 0.21  56.152% * 66.2308% (0.45  10.0   2.41   9.18) =  75.690%  kept
      O   HA    SER   48 - HN    SER   48   2.74 +/- 0.07  36.299% * 32.8893% (0.22  10.0   2.61   9.18) =  24.297%  kept
          HD2   PRO   52 - HN    SER   48   7.79 +/- 1.47   2.504% *  0.0956% (0.65   1.0   0.02   0.02) =   0.005%
          QB    SER   85 - HN    SER   48  14.25 +/- 3.71   0.770% *  0.1426% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    SER   48  14.99 +/- 4.30   1.364% *  0.0607% (0.41   1.0   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    SER   48  17.86 +/- 4.47   0.473% *  0.1464% (0.99   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER   48  10.56 +/- 1.51   0.801% *  0.0504% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER   48   9.12 +/- 1.05   1.112% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    SER   48  25.85 +/- 4.80   0.283% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  25.62 +/- 5.68   0.063% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  23.39 +/- 3.00   0.086% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  24.50 +/- 3.20   0.094% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.06, residual support = 6.24:
          QB    ALA   47 - HN    SER   48   2.92 +/- 0.30  93.759% * 99.1154% (0.90   4.06   6.24) =  99.979%  kept
          QG1   VAL   42 - HN    SER   48  13.28 +/- 2.27   2.581% *  0.4361% (0.80   0.02   0.02) =   0.012%
          QB    ALA   64 - HN    SER   48  13.26 +/- 2.33   2.092% *  0.2044% (0.38   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HN    SER   48  14.99 +/- 3.73   1.567% *  0.2442% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (3.40, 7.01, 120.97 ppm):
    2 chemical-shift based assignments, quality = 0.811, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  10.39 +/- 2.75  64.044% * 52.2208% (0.84   0.02   0.02) =  66.065%  kept
          HB2   TRP   87 - HN    ALA   47  14.31 +/- 3.04  35.956% * 47.7792% (0.76   0.02   0.02) =  33.935%  kept
    Distance limit 4.28 A violated in 19 structures by 5.27 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.42, residual support = 6.29:
          QB    CYS   50 - HN    ALA   47   4.10 +/- 0.80  70.037% * 72.7802% (0.97   1.50   6.88) =  91.373%  kept
          QE    LYS+  74 - HN    ALA   47  10.98 +/- 4.12  18.414% * 25.8560% (0.98   0.52   0.02) =   8.535%  kept
          HB3   ASP-  78 - HN    ALA   47  12.36 +/- 4.74   8.549% *  0.4894% (0.49   0.02   0.02) =   0.075%
          HB2   PHE   72 - HN    ALA   47  14.86 +/- 1.90   2.353% *  0.2239% (0.22   0.02   0.02) =   0.009%
          HB3   ASN   69 - HN    ALA   47  20.98 +/- 2.74   0.648% *  0.6505% (0.65   0.02   0.02) =   0.008%
    Distance limit 4.03 A violated in 0 structures by 0.19 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.2, residual support = 11.2:
          QG2   THR   46 - HN    ALA   47   3.16 +/- 0.75  91.573% * 97.5668% (0.97   3.20  11.18) =  99.954%  kept
          QG2   VAL   18 - HN    ALA   47  13.95 +/- 3.90   2.605% *  0.5666% (0.90   0.02   0.02) =   0.017%
          QG1   VAL   43 - HN    ALA   47  11.04 +/- 1.22   2.824% *  0.4339% (0.69   0.02   0.02) =   0.014%
          QD2   LEU  104 - HN    ALA   47  16.99 +/- 3.12   1.146% *  0.5277% (0.84   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    ALA   47  16.94 +/- 2.03   0.919% *  0.5976% (0.95   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    ALA   47  16.13 +/- 2.57   0.934% *  0.3075% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.31, residual support = 10.8:
      O   QB    ALA   47 - HN    ALA   47   2.31 +/- 0.19  95.552% * 99.7622% (0.57  10.0   2.31  10.76) =  99.997%  kept
          QB    ALA   64 - HN    ALA   47  11.46 +/- 1.80   1.190% *  0.1280% (0.73   1.0   0.02   0.02) =   0.002%
          QG1   VAL   42 - HN    ALA   47  11.17 +/- 1.77   1.276% *  0.0790% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    ALA   47  11.79 +/- 3.72   1.982% *  0.0309% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 3.86 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   3.31 +/- 0.41  94.706% * 99.3656% (0.25  10.0   3.22  34.14) =  99.988%  kept
          HA    LYS+ 112 - HN    THR   46  13.18 +/- 2.07   2.215% *  0.3045% (0.76   1.0   0.02   0.02) =   0.007%
          HB2   HIS   22 - HN    THR   46  16.24 +/- 3.52   2.319% *  0.1359% (0.34   1.0   0.02   0.02) =   0.003%
          HB2   HIS  122 - HN    THR   46  18.12 +/- 2.44   0.761% *  0.1940% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 4.30 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 = 0.571, support = 3.43, residual support = 9.77:
          QG2   THR   77 - HN    THR   46   5.07 +/- 4.62  54.756% * 74.2993% (0.61   3.62  10.89) =  89.597%  kept
          HB3   ASP-  44 - HN    THR   46   5.84 +/- 0.96  30.772% * 14.3639% (0.22   1.91   0.19) =   9.734%  kept
          QB    ALA   88 - HN    THR   46  11.36 +/- 1.74   3.062% *  8.7691% (0.95   0.27   0.02) =   0.591%  kept
          HB3   LEU   80 - HN    THR   46  10.37 +/- 3.21   5.286% *  0.2782% (0.41   0.02   0.02) =   0.032%
          HB2   LEU   63 - HN    THR   46  10.94 +/- 1.96   3.329% *  0.2088% (0.31   0.02   0.02) =   0.015%
          HG2   LYS+ 111 - HN    THR   46  15.59 +/- 2.73   1.040% *  0.4377% (0.65   0.02   0.02) =   0.010%
          HB2   LEU   31 - HN    THR   46  18.20 +/- 2.97   0.906% *  0.3831% (0.57   0.02   0.02) =   0.008%
          HG2   LYS+  99 - HN    THR   46  20.36 +/- 2.19   0.538% *  0.6068% (0.90   0.02   0.02) =   0.007%
          HG2   LYS+  38 - HN    THR   46  23.89 +/- 2.10   0.310% *  0.6530% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.87 A violated in 0 structures by 0.17 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.864, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.96 +/- 1.34  34.605% * 32.0586% (0.99   0.02   0.02) =  45.142%  kept
          QD1   ILE  119 - HN    THR   46  11.89 +/- 1.62  27.296% * 25.8997% (0.80   0.02   0.02) =  28.767%  kept
          HB2   LEU  104 - HN    THR   46  17.06 +/- 2.58  11.817% * 32.0586% (0.99   0.02   0.02) =  15.415%  kept
          HG3   LYS+ 112 - HN    THR   46  13.18 +/- 3.35  26.282% *  9.9831% (0.31   0.02   0.02) =  10.676%  kept
    Distance limit 4.73 A violated in 20 structures by 4.34 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   2.67 +/- 0.44  85.782% * 86.8182% (0.97   3.34  34.14) =  99.645%  kept
          QG2   VAL   18 - HN    THR   46  11.97 +/- 4.10   1.956% * 11.3725% (1.00   0.42   0.02) =   0.298%  kept
          QG1   VAL   43 - HN    THR   46   7.92 +/- 1.15   5.562% *  0.5089% (0.95   0.02   0.02) =   0.038%
          QG1   VAL   41 - HN    THR   46  13.38 +/- 1.85   1.342% *  0.4307% (0.80   0.02   0.02) =   0.008%
          QD1   ILE   19 - HN    THR   46  14.52 +/- 2.24   0.728% *  0.3695% (0.69   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    THR   46  14.90 +/- 2.14   0.925% *  0.2830% (0.53   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    THR   46   9.94 +/- 1.79   3.043% *  0.0830% (0.15   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    THR   46  16.35 +/- 2.93   0.662% *  0.1341% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.64, residual support = 1.51:
          QG1   VAL   75 - HN    THR   46   5.14 +/- 3.30  72.917% * 99.0052% (0.92   1.65   1.52) =  99.628%  kept
          QD1   LEU  115 - HN    THR   46   9.48 +/- 1.77  27.083% *  0.9948% (0.76   0.02   0.02) =   0.372%  kept
    Distance limit 4.57 A violated in 4 structures by 0.90 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 3.42, residual support = 27.1:
          HB    THR   94 - HN    PHE   45   3.73 +/- 0.58  77.304% * 94.4020% (0.65   3.43  27.12) =  99.839%  kept
          HA    LYS+  65 - HN    PHE   45  12.64 +/- 2.68   3.618% *  0.7854% (0.92   0.02   0.02) =   0.039%
          QB    SER   48 - HN    PHE   45  10.80 +/- 0.77   3.898% *  0.6502% (0.76   0.02   0.02) =   0.035%
          QB    SER   85 - HN    PHE   45  12.77 +/- 1.06   2.336% *  0.8211% (0.97   0.02   0.02) =   0.026%
          HD2   PRO   52 - HN    PHE   45  11.70 +/- 1.13   3.132% *  0.2902% (0.34   0.02   0.02) =   0.012%
          HA    ALA  120 - HN    PHE   45  17.41 +/- 1.92   0.969% *  0.8048% (0.95   0.02   0.02) =   0.011%
          HA2   GLY   51 - HN    PHE   45  13.93 +/- 1.43   1.766% *  0.4141% (0.49   0.02   0.02) =   0.010%
          HA2   GLY   16 - HN    PHE   45  20.11 +/- 4.66   0.783% *  0.8211% (0.97   0.02   0.02) =   0.009%
          HA    LYS+ 121 - HN    PHE   45  17.59 +/- 2.47   0.997% *  0.4817% (0.57   0.02   0.02) =   0.007%
          QB    SER  117 - HN    PHE   45  13.93 +/- 1.63   1.972% *  0.2121% (0.25   0.02   0.02) =   0.006%
          HA    ALA   88 - HN    PHE   45  12.32 +/- 1.18   2.506% *  0.1490% (0.18   0.02   0.12) =   0.005%
          HA    GLN   32 - HN    PHE   45  19.87 +/- 2.12   0.719% *  0.1684% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.63, residual support = 80.0:
      O   HB2   PHE   45 - HN    PHE   45   3.07 +/- 0.54  94.133% * 99.8561% (0.99  10.0   3.63  80.03) =  99.995%  kept
          QE    LYS+ 111 - HN    PHE   45  13.56 +/- 3.09   3.616% *  0.0988% (0.98   1.0   0.02   0.02) =   0.004%
          HB2   CYS   21 - HN    PHE   45  13.12 +/- 3.12   2.251% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 80.0:
      O   HB3   PHE   45 - HN    PHE   45   2.95 +/- 0.63  75.098% * 99.6079% (0.87  10.0   3.95  80.03) =  99.975%  kept
          QE    LYS+ 112 - HN    PHE   45  10.81 +/- 2.83  11.228% *  0.0996% (0.87   1.0   0.02   0.02) =   0.015%
          HB3   ASP-  62 - HN    PHE   45  10.33 +/- 2.95   7.318% *  0.0431% (0.38   1.0   0.02   0.02) =   0.004%
          HB    VAL  107 - HN    PHE   45   8.21 +/- 0.90   4.639% *  0.0515% (0.45   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HN    PHE   45  12.22 +/- 1.06   1.406% *  0.0919% (0.80   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    PHE   45  20.84 +/- 1.84   0.310% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.452, support = 3.75, residual support = 17.0:
          HB3   ASP-  44 - HN    PHE   45   3.73 +/- 0.42  45.843% * 51.4326% (0.49   4.10  19.16) =  80.998%  kept
          QG2   THR   77 - HN    PHE   45   6.69 +/- 3.48  20.472% * 20.4869% (0.31   2.58  10.19) =  14.407%  kept
          HB3   PRO   93 - HN    PHE   45   6.32 +/- 1.21  12.368% *  5.4952% (0.15   1.38   0.11) =   2.335%  kept
          QB    ALA   88 - HN    PHE   45  10.51 +/- 1.28   2.280% * 13.7936% (0.69   0.78   0.12) =   1.080%  kept
          QB    ALA   84 - HN    PHE   45   8.32 +/- 1.69   5.084% *  5.8656% (0.18   1.30   0.44) =   1.024%  kept
          HB2   LEU   63 - HN    PHE   45   9.18 +/- 1.99   5.651% *  0.3126% (0.61   0.02   0.02) =   0.061%
          HB3   LEU   80 - HN    PHE   45  11.07 +/- 2.43   3.062% *  0.3743% (0.73   0.02   0.02) =   0.039%
          HG2   LYS+ 111 - HN    PHE   45  14.48 +/- 2.90   1.184% *  0.4758% (0.92   0.02   0.02) =   0.019%
          HB2   LEU   31 - HN    PHE   45  16.57 +/- 2.58   0.720% *  0.4471% (0.87   0.02   0.02) =   0.011%
          HG    LEU   98 - HN    PHE   45  11.65 +/- 1.88   2.204% *  0.1285% (0.25   0.02   0.02) =   0.010%
          HG2   LYS+  99 - HN    PHE   45  17.49 +/- 1.26   0.502% *  0.5143% (1.00   0.02   0.02) =   0.009%
          HG2   LYS+  38 - HN    PHE   45  21.63 +/- 1.32   0.257% *  0.4975% (0.97   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    PHE   45  19.49 +/- 1.96   0.375% *  0.1758% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 1.02, residual support = 11.3:
          QD1   ILE   89 - HN    PHE   45   5.00 +/- 0.98  63.090% * 57.5433% (0.80   1.13  14.47) =  75.360%  kept
          QG2   VAL   83 - HN    PHE   45   7.66 +/- 1.50  28.457% * 41.3982% (0.98   0.67   1.50) =  24.454%  kept
          QD2   LEU   31 - HN    PHE   45  11.85 +/- 1.95   8.453% *  1.0586% (0.84   0.02   0.02) =   0.186%  kept
    Distance limit 4.42 A violated in 1 structures by 0.56 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   3.93 +/- 0.48  68.666% * 98.4409% (1.00   4.10  12.38) =  99.885%  kept
          QE    LYS+ 112 - HN    THR   46  11.46 +/- 3.20   9.217% *  0.4804% (1.00   0.02   0.02) =   0.065%
          HB    VAL  107 - HN    THR   46  11.32 +/- 1.45   4.131% *  0.3856% (0.80   0.02   0.02) =   0.024%
          HB3   ASP-  62 - HN    THR   46  12.09 +/- 3.56  13.726% *  0.0652% (0.14   0.02   0.02) =   0.013%
          HB3   ASP-  86 - HN    THR   46  13.18 +/- 1.73   3.057% *  0.2159% (0.45   0.02   0.02) =   0.010%
          HG2   GLU-  29 - HN    THR   46  21.69 +/- 2.47   0.517% *  0.2920% (0.61   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    THR   46  20.90 +/- 2.42   0.686% *  0.1201% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.868, support = 0.745, residual support = 8.07:
          HN    CYS   50 - HN    CYS   53   4.82 +/- 0.64  97.804% * 77.1198% (0.87  1.00   0.75   8.12) =  99.338%  kept
        T HN    VAL   83 - HN    CYS   53  19.38 +/- 2.87   2.196% * 22.8802% (0.97 10.00   0.02   0.02) =   0.662%  kept
    Distance limit 4.85 A violated in 0 structures by 0.23 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.606, support = 7.18, residual support = 55.4:
      O   HA    PRO   52 - HN    CYS   53   3.45 +/- 0.02  96.701% * 99.8358% (0.61  10.0   7.18  55.41) =  99.994%  kept
          HA    LYS+ 111 - HN    CYS   53  12.01 +/- 2.44   3.299% *  0.1642% (1.00   1.0   0.02   0.02) =   0.006%
    Distance limit 4.66 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 = 44.3:
      O   HA    CYS   53 - HN    CYS   53   2.74 +/- 0.05  98.048% * 99.7036% (0.90  10.0   4.77  44.34) =  99.999%  kept
          HA    GLU- 114 - HN    CYS   53  15.15 +/- 1.78   0.672% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.80 +/- 4.22   0.249% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  25.06 +/- 4.72   0.458% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  20.96 +/- 2.95   0.280% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  26.78 +/- 3.04   0.128% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  25.32 +/- 2.94   0.165% *  0.0172% (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 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.353, support = 7.79, residual support = 50.8:
          HD2   PRO   52 - HN    CYS   53   2.28 +/- 0.03  82.691% * 60.8659% (0.34   8.19  55.41) =  91.559%  kept
          HA2   GLY   51 - HN    CYS   53   4.41 +/- 0.29  12.729% * 36.3470% (0.49   3.43   0.28) =   8.416%  kept
          QB    SER   48 - HN    CYS   53   8.67 +/- 1.23   2.193% *  0.3329% (0.76   0.02   0.02) =   0.013%
          HB    THR   94 - HN    CYS   53  11.76 +/- 1.86   0.837% *  0.2818% (0.65   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    CYS   53  17.09 +/- 2.53   0.265% *  0.4021% (0.92   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    CYS   53  18.41 +/- 2.52   0.200% *  0.4120% (0.95   0.02   0.02) =   0.001%
          QB    SER   85 - HN    CYS   53  18.64 +/- 2.62   0.188% *  0.4203% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    CYS   53  20.35 +/- 2.41   0.158% *  0.2466% (0.57   0.02   0.02) =   0.001%
          QB    SER  117 - HN    CYS   53  15.04 +/- 1.94   0.347% *  0.1086% (0.25   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    CYS   53  25.49 +/- 4.14   0.075% *  0.4203% (0.97   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    CYS   53  18.89 +/- 2.93   0.192% *  0.0763% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  27.45 +/- 3.91   0.125% *  0.0862% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 45.1:
      O   HB2   CYS   53 - HN    CYS   53   2.62 +/- 0.36  69.604% * 84.9017% (0.98  10.0   4.90  44.34) =  93.440%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.01  27.850% * 14.8916% (0.57   1.0   6.07  55.41) =   6.558%  kept
          HD2   PRO   58 - HN    CYS   53   8.99 +/- 1.13   2.134% *  0.0560% (0.65   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    CYS   53  19.99 +/- 2.34   0.213% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  24.36 +/- 3.27   0.124% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  27.31 +/- 2.82   0.074% *  0.0456% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.02, residual support = 43.3:
      O   HB3   CYS   53 - HN    CYS   53   2.67 +/- 0.53  67.361% * 75.9567% (0.97  10.0   6.15  44.34) =  96.248%  kept
          HD2   ARG+  54 - HN    CYS   53   6.78 +/- 0.86   6.236% * 15.6281% (0.92   1.0   4.30  31.75) =   1.833%  kept
          QB    PHE   55 - HN    CYS   53   5.02 +/- 0.41  12.689% *  6.1261% (0.97   1.0   1.61   0.02) =   1.462%  kept
          HD3   PRO   93 - HN    CYS   53   9.25 +/- 4.35  11.216% *  2.1509% (1.00   1.0   0.55   0.02) =   0.454%  kept
          HB2   PHE   59 - HN    CYS   53   9.93 +/- 1.70   2.108% *  0.0601% (0.76   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    CYS   53  19.99 +/- 2.74   0.390% *  0.0780% (0.99   1.0   0.02   0.02) =   0.001%
    Distance limit 3.88 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   3.86 +/- 0.87  86.385% * 98.0453% (0.69   2.96   8.12) =  99.895%  kept
          QE    LYS+  74 - HN    CYS   53  13.72 +/- 3.27   6.485% *  0.7011% (0.73   0.02   0.02) =   0.054%
          HB3   ASP-  78 - HN    CYS   53  16.23 +/- 5.23   4.751% *  0.8065% (0.84   0.02   0.02) =   0.045%
          HB3   ASN   69 - HN    CYS   53  21.94 +/- 4.10   0.866% *  0.2980% (0.31   0.02   0.02) =   0.003%
          HB3   HIS  122 - HN    CYS   53  17.51 +/- 2.35   1.512% *  0.1490% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.69 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 = 55.3:
          HG2   PRO   52 - HN    CYS   53   3.20 +/- 0.36  83.826% * 94.9799% (0.25   7.20  55.41) =  99.885%  kept
          HG2   MET   92 - HN    CYS   53  10.68 +/- 4.39   6.490% *  0.8083% (0.76   0.02   0.02) =   0.066%
          QG    GLU- 114 - HN    CYS   53  12.45 +/- 1.91   1.833% *  0.7266% (0.69   0.02   0.02) =   0.017%
          HB2   GLU-  79 - HN    CYS   53  17.04 +/- 4.36   1.573% *  0.6415% (0.61   0.02   0.02) =   0.013%
          HB2   ASP-  44 - HN    CYS   53  12.02 +/- 1.51   2.461% *  0.2637% (0.25   0.02   0.02) =   0.008%
          HB3   PHE   72 - HN    CYS   53  17.62 +/- 2.78   1.479% *  0.1852% (0.18   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    CYS   53  14.55 +/- 3.33   1.425% *  0.1431% (0.14   0.02   0.02) =   0.003%
          QB    MET   11 - HN    CYS   53  30.56 +/- 4.88   0.197% *  0.8470% (0.80   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    CYS   53  24.81 +/- 3.11   0.313% *  0.3608% (0.34   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    CYS   53  30.68 +/- 3.41   0.130% *  0.8083% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   53  24.49 +/- 3.40   0.273% *  0.2355% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.936, support = 7.01, residual support = 54.1:
          HG3   PRO   52 - HN    CYS   53   4.13 +/- 0.35  50.885% * 90.6585% (0.98   7.20  55.41) =  94.560%  kept
          HB2   ARG+  54 - HN    CYS   53   4.96 +/- 0.51  31.467% *  8.3649% (0.18   3.72  31.75) =   5.395%  kept
          HB2   PRO   93 - HN    CYS   53   8.73 +/- 2.96  10.412% *  0.1056% (0.41   0.02   0.02) =   0.023%
          HG2   PRO   58 - HN    CYS   53  10.71 +/- 0.97   3.332% *  0.2517% (0.98   0.02   0.02) =   0.017%
          HB    VAL  108 - HN    CYS   53  15.68 +/- 3.31   2.967% *  0.0348% (0.14   0.02   0.02) =   0.002%
          HG2   MET   11 - HN    CYS   53  34.86 +/- 5.83   0.223% *  0.2568% (1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HN    CYS   53  28.01 +/- 3.77   0.200% *  0.2563% (1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    CYS   53  22.86 +/- 3.45   0.514% *  0.0714% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.46 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 = 0.669, support = 7.25, residual support = 53.3:
      O   HB3   PRO   52 - HN    CYS   53   3.97 +/- 0.40  58.167% * 77.7099% (0.65  10.0   7.57  55.41) =  91.104%  kept
          HG2   ARG+  54 - HN    CYS   53   5.81 +/- 0.60  20.508% * 21.4696% (0.90   1.0   3.99  31.75) =   8.874%  kept
          HB    ILE   56 - HN    CYS   53   7.61 +/- 1.12  11.686% *  0.0238% (0.20   1.0   0.02   0.02) =   0.006%
          HB3   ASP- 105 - HN    CYS   53  18.30 +/- 3.25   2.074% *  0.1042% (0.87   1.0   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    CYS   53  16.20 +/- 3.78   1.437% *  0.0825% (0.69   1.0   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    CYS   53  16.64 +/- 3.82   1.516% *  0.0729% (0.61   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    CYS   53  15.10 +/- 2.17   1.373% *  0.0680% (0.57   1.0   0.02   0.02) =   0.002%
          HG    LEU  123 - HN    CYS   53  18.31 +/- 3.23   0.906% *  0.0777% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    CYS   53  21.91 +/- 3.18   0.513% *  0.1136% (0.95   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    CYS   53  21.95 +/- 2.92   0.470% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    CYS   53  24.10 +/- 3.11   0.350% *  0.0918% (0.76   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    CYS   53  21.10 +/- 2.53   0.469% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  20.56 +/- 2.95   0.531% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 44.3:
        T HN    GLN   32 - HN    LEU   31   2.63 +/- 0.16  81.041% * 97.0230% (0.78 10.00   5.86  44.45) =  99.522%  kept
          HN    ALA   34 - HN    LEU   31   4.61 +/- 0.41  16.500% *  2.2795% (0.14  1.00   2.54  10.52) =   0.476%  kept
        T HN    GLN   32 - HN    PHE   55  26.46 +/- 3.57   0.226% *  0.4733% (0.38 10.00   0.02   0.02) =   0.001%
          HN    SER   85 - HN    LEU   31  19.97 +/- 5.26   0.291% *  0.1159% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    PHE   55  11.38 +/- 2.07   1.355% *  0.0141% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.49 +/- 2.64   0.171% *  0.0565% (0.45  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.54 +/- 2.04   0.273% *  0.0290% (0.23  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  25.96 +/- 2.88   0.143% *  0.0087% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.546, support = 7.0, residual support = 48.6:
        T HN    GLN   30 - HN    LEU   31   2.55 +/- 0.09  81.560% * 78.5563% (0.53 10.00   7.21  51.14) =  94.906%  kept
          HN    GLU-  29 - HN    LEU   31   4.35 +/- 0.19  16.523% * 20.8032% (0.91  1.00   3.06   0.41) =   5.092%  kept
        T HN    GLN   30 - HN    PHE   55  24.56 +/- 3.63   0.186% *  0.3832% (0.26 10.00   0.02   0.02) =   0.001%
          HN    ASP-  86 - HN    LEU   31  18.84 +/- 5.55   0.392% *  0.0898% (0.60  1.00   0.02   0.02) =   0.001%
          HN    VAL   18 - HN    LEU   31  13.55 +/- 2.07   0.786% *  0.0386% (0.26  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  25.86 +/- 4.31   0.241% *  0.0663% (0.44  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  22.09 +/- 2.31   0.143% *  0.0438% (0.29  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  21.02 +/- 2.71   0.170% *  0.0188% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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   2.81 +/- 0.06  76.641% * 97.9489% (0.48  10.0   3.35  21.00) =  99.837%  kept
          HA    TRP   27 - HN    LEU   31   4.64 +/- 0.22  17.473% *  0.5631% (0.13   1.0   0.41  23.42) =   0.131%  kept
          HA    ALA  110 - HN    PHE   55  12.77 +/- 4.57   2.815% *  0.7635% (0.71   1.0   0.11   0.10) =   0.029%
          HA    GLN   90 - HN    PHE   55  17.44 +/- 3.46   0.475% *  0.1293% (0.64   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    PHE   55  14.64 +/- 3.70   0.886% *  0.0664% (0.33   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    PHE   55  15.00 +/- 2.17   0.643% *  0.0914% (0.45   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LEU   31  22.70 +/- 3.64   0.183% *  0.0980% (0.48   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  25.13 +/- 3.50   0.182% *  0.0742% (0.37   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  21.58 +/- 2.02   0.188% *  0.0693% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  26.04 +/- 3.26   0.114% *  0.1097% (0.54   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.07 +/- 3.35   0.265% *  0.0360% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  24.34 +/- 2.64   0.134% *  0.0503% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.786, support = 3.04, residual support = 20.7:
      O   QB    PHE   55 - HN    PHE   55   2.02 +/- 0.10  84.201% * 82.0149% (0.79  10.0   3.03  21.00) =  98.428%  kept
          HD2   ARG+  54 - HN    PHE   55   4.93 +/- 0.59   6.731% * 14.1833% (0.69   1.0   3.95   4.27) =   1.361%  kept
          HB3   CYS   53 - HN    PHE   55   5.44 +/- 0.31   4.510% *  3.2155% (0.73   1.0   0.84   0.02) =   0.207%  kept
          HD3   PRO   93 - HN    PHE   55  10.51 +/- 4.23   2.050% *  0.0826% (0.79   1.0   0.02   0.02) =   0.002%
          HB2   PHE   59 - HN    PHE   55   8.46 +/- 1.27   1.339% *  0.0691% (0.66   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    LEU   31  17.08 +/- 3.44   0.289% *  0.0627% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.07 +/- 3.43   0.252% *  0.0579% (0.56   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  19.37 +/- 3.09   0.153% *  0.0827% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  19.58 +/- 3.32   0.150% *  0.0524% (0.50   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  26.15 +/- 4.28   0.139% *  0.0544% (0.52   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  22.34 +/- 3.12   0.118% *  0.0621% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  23.17 +/- 2.38   0.067% *  0.0625% (0.60   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.333, support = 3.66, residual support = 9.49:
      O   HA    ARG+  54 - HN    PHE   55   3.54 +/- 0.05  37.747% * 65.1184% (0.25  10.0   3.32   4.27) =  65.445%  kept
          HA    ASN   28 - HN    LEU   31   3.37 +/- 0.14  43.698% * 29.1599% (0.50   1.0   4.37  19.75) =  33.926%  kept
          HA    THR   26 - HN    LEU   31   6.71 +/- 0.30   5.609% *  3.8769% (0.39   1.0   0.75   0.02) =   0.579%  kept
          HA    ALA   34 - HN    LEU   31   6.90 +/- 0.57   5.504% *  0.1542% (0.58   1.0   0.02  10.52) =   0.023%
          HA1   GLY  101 - HN    LEU   31  14.81 +/- 5.14   2.339% *  0.1595% (0.60   1.0   0.02   0.02) =   0.010%
          HA    LEU  115 - HN    PHE   55  11.85 +/- 1.35   1.156% *  0.1830% (0.69   1.0   0.02   4.96) =   0.006%
          HA    GLU- 114 - HN    PHE   55  13.99 +/- 1.48   0.694% *  0.1996% (0.75   1.0   0.02   0.02) =   0.004%
          HA    ASN   28 - HN    PHE   55  24.34 +/- 4.32   0.729% *  0.1762% (0.66   1.0   0.02   0.02) =   0.003%
          HA    THR   26 - HN    PHE   55  25.58 +/- 4.45   0.239% *  0.1365% (0.51   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   31  23.46 +/- 4.18   0.653% *  0.0493% (0.19   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    LEU   31  25.34 +/- 7.98   0.901% *  0.0356% (0.13   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   31  22.36 +/- 3.21   0.198% *  0.1386% (0.52   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    PHE   55  25.77 +/- 2.64   0.120% *  0.2036% (0.77   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    PHE   55  27.64 +/- 2.76   0.089% *  0.2105% (0.79   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  26.23 +/- 3.33   0.113% *  0.1512% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  21.59 +/- 2.86   0.211% *  0.0470% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 7.12, residual support = 231.2:
      O   HA    LEU   31 - HN    LEU   31   2.81 +/- 0.05  99.727% * 99.9512% (0.60  10.0   7.12 231.20) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  24.12 +/- 3.19   0.273% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.487, support = 5.76, residual support = 40.9:
          HB2   GLN   30 - HN    LEU   31   3.35 +/- 0.27  38.776% * 33.8873% (0.48   6.13  51.14) =  54.873%  kept
          HG3   GLN   30 - HN    LEU   31   5.16 +/- 0.27  11.192% * 49.6160% (0.60   7.25  51.14) =  23.190%  kept
          HB2   ARG+  54 - HN    PHE   55   3.45 +/- 0.43  36.287% * 14.4463% (0.39   3.26   4.27) =  21.891%  kept
          HB    ILE  119 - HN    PHE   55  12.43 +/- 1.77   0.923% *  0.1459% (0.64   0.02   0.02) =   0.006%
          HB2   PRO   93 - HN    PHE   55   9.49 +/- 2.87   3.286% *  0.0406% (0.18   0.02   0.02) =   0.006%
          HB2   LYS+ 111 - HN    PHE   55  12.78 +/- 2.87   1.137% *  0.1032% (0.45   0.02   0.02) =   0.005%
          HB3   GLU- 100 - HN    LEU   31  16.15 +/- 4.25   0.930% *  0.1197% (0.52   0.02   0.02) =   0.005%
          HB2   GLN   17 - HN    LEU   31  14.04 +/- 2.97   1.246% *  0.0672% (0.29   0.02   0.02) =   0.003%
          QB    GLU-  15 - HN    LEU   31  13.52 +/- 2.68   1.200% *  0.0672% (0.29   0.02   0.02) =   0.003%
          HB    VAL  108 - HN    PHE   55  16.51 +/- 2.92   0.611% *  0.1032% (0.45   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    LEU   31  10.33 +/- 0.43   1.403% *  0.0426% (0.19   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    LEU   31  18.04 +/- 3.03   0.392% *  0.1197% (0.52   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    LEU   31  25.07 +/- 4.33   0.602% *  0.0672% (0.29   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    PHE   55  21.98 +/- 3.70   0.250% *  0.1581% (0.69   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    PHE   55  22.95 +/- 2.97   0.188% *  0.1806% (0.79   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LEU   31  22.77 +/- 4.53   0.270% *  0.1105% (0.48   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    PHE   55  22.90 +/- 2.82   0.201% *  0.1459% (0.64   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    PHE   55  26.63 +/- 5.19   0.392% *  0.0562% (0.25   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   55  23.32 +/- 2.60   0.125% *  0.0887% (0.39   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  29.01 +/- 2.67   0.066% *  0.1581% (0.69   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  22.82 +/- 2.62   0.129% *  0.0782% (0.34   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  24.78 +/- 2.59   0.104% *  0.0887% (0.39   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  27.37 +/- 3.75   0.091% *  0.0782% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  20.74 +/- 2.50   0.197% *  0.0307% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 7.12, residual support = 231.2:
      O   HB2   LEU   31 - HN    LEU   31   2.64 +/- 0.20  81.685% * 98.5368% (0.78  10.0   7.12 231.20) =  99.985%  kept
          HB3   PRO   93 - HN    PHE   55   9.35 +/- 2.94   4.018% *  0.0418% (0.33   1.0   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LEU   31  21.87 +/- 6.64   1.280% *  0.1116% (0.88   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LEU   31  13.27 +/- 3.66   1.301% *  0.1023% (0.81   1.0   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    LEU   31  15.77 +/- 3.69   1.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    PHE   55  12.14 +/- 2.45   1.616% *  0.0570% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    LEU   31  16.53 +/- 6.41   0.743% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LEU   31  14.89 +/- 1.77   0.569% *  0.1177% (0.93   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    LEU   31  11.71 +/- 1.67   1.495% *  0.0443% (0.35   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    PHE   55  12.14 +/- 1.54   1.086% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    LEU   31  15.12 +/- 3.56   0.900% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   55  13.19 +/- 3.13   1.052% *  0.0440% (0.35   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   31  16.51 +/- 3.63   0.456% *  0.0902% (0.71   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    PHE   55  15.67 +/- 2.63   0.578% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  20.70 +/- 2.62   0.237% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.27 +/- 3.62   0.311% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  18.52 +/- 2.56   0.295% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  25.06 +/- 3.77   0.324% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  21.87 +/- 2.17   0.164% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  27.94 +/- 3.39   0.085% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  18.56 +/- 2.80   0.300% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  18.56 +/- 2.21   0.317% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  25.79 +/- 2.94   0.107% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  29.28 +/- 3.73   0.081% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 7.12, residual support = 231.2:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.04  65.143% * 99.4260% (0.83  10.0   7.12 231.20) =  99.983%  kept
          QB    ALA   20 - HN    LEU   31  10.21 +/- 1.06   3.119% *  0.0994% (0.83   1.0   0.02   0.02) =   0.005%
          HD3   LYS+ 112 - HN    PHE   55   8.51 +/- 2.93  13.965% *  0.0167% (0.14   1.0   0.02   1.02) =   0.004%
          HG13  ILE  119 - HN    PHE   55  11.08 +/- 1.51   2.618% *  0.0499% (0.42   1.0   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    LEU   31   8.97 +/- 0.35   4.053% *  0.0247% (0.21   1.0   0.02   0.02) =   0.002%
          QG2   VAL  107 - HN    PHE   55  10.39 +/- 2.33   4.805% *  0.0167% (0.14   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    LEU   31  21.89 +/- 6.53   1.191% *  0.0583% (0.49   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    LEU   31  21.17 +/- 4.17   0.650% *  0.1023% (0.86   1.0   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    PHE   55  17.25 +/- 2.72   0.819% *  0.0485% (0.41   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    PHE   55  18.96 +/- 2.74   0.954% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  24.43 +/- 3.72   0.513% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.30 +/- 1.32   0.588% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  19.75 +/- 3.92   1.320% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  25.14 +/- 3.75   0.263% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.625, support = 7.16, residual support = 206.9:
          HG    LEU   31 - HN    LEU   31   2.41 +/- 0.50  65.407% * 63.2641% (0.64   7.68 231.20) =  88.605%  kept
          QD1   ILE   56 - HN    PHE   55   4.33 +/- 0.85  20.223% * 21.0123% (0.45   3.62  22.07) =   9.099%  kept
          QD2   LEU   73 - HN    LEU   31   6.50 +/- 1.89   7.121% * 14.9998% (0.78   1.50   1.82) =   2.287%  kept
          QG1   VAL   41 - HN    LEU   31   6.80 +/- 2.56   5.529% *  0.0420% (0.16   0.02   0.02) =   0.005%
          QD1   ILE   56 - HN    LEU   31  18.06 +/- 2.51   0.233% *  0.2378% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    PHE   55  19.00 +/- 2.71   0.590% *  0.0804% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    PHE   55  15.27 +/- 2.87   0.410% *  0.0978% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LEU   31  21.59 +/- 6.07   0.158% *  0.1648% (0.64   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    PHE   55  23.22 +/- 3.81   0.144% *  0.0804% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  18.91 +/- 2.48   0.185% *  0.0205% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 6.87, residual support = 231.1:
          QD2   LEU   31 - HN    LEU   31   2.07 +/- 0.34  96.937% * 97.7427% (0.18   6.88 231.20) =  99.963%  kept
          QG2   VAL   43 - HN    LEU   31   9.50 +/- 2.69   2.241% *  1.4239% (0.92   0.02   0.02) =   0.034%
          QG2   VAL   43 - HN    PHE   55  15.04 +/- 1.45   0.393% *  0.6946% (0.45   0.02   0.02) =   0.003%
          QD2   LEU   31 - HN    PHE   55  18.93 +/- 2.98   0.429% *  0.1387% (0.09   0.02   0.02) =   0.001%
    Distance limit 4.00 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 = 0.621, support = 1.61, residual support = 1.64:
          QD1   LEU   73 - HN    LEU   31   6.06 +/- 2.37  31.411% * 56.6438% (0.60   1.92   1.82) =  79.469%  kept
          QD2   LEU   80 - HN    LEU   31  13.09 +/- 6.59   9.211% * 21.9068% (0.90   0.50   0.02) =   9.012%  kept
          QD1   LEU   63 - HN    LEU   31  13.27 +/- 3.86  12.842% * 12.4378% (0.60   0.42   0.02) =   7.134%  kept
          QD2   LEU  115 - HN    PHE   55   7.81 +/- 1.62  16.933% *  4.9138% (0.43   0.23   4.96) =   3.716%  kept
          QD1   LEU  104 - HN    LEU   31  13.67 +/- 3.64   5.143% *  0.9056% (0.92   0.02   0.02) =   0.208%  kept
          QG1   VAL   83 - HN    LEU   31  12.37 +/- 5.39   7.095% *  0.5910% (0.60   0.02   0.02) =   0.187%  kept
          QD1   LEU   63 - HN    PHE   55   9.89 +/- 2.56   9.282% *  0.2883% (0.29   0.02   0.02) =   0.120%  kept
          QD2   LEU  115 - HN    LEU   31  18.40 +/- 2.76   1.385% *  0.8643% (0.88   0.02   0.02) =   0.053%
          QD1   LEU   73 - HN    PHE   55  15.98 +/- 3.32   3.433% *  0.2883% (0.29   0.02   0.02) =   0.044%
          QD2   LEU   80 - HN    PHE   55  18.09 +/- 2.81   1.132% *  0.4301% (0.44   0.02   0.02) =   0.022%
          QD1   LEU  104 - HN    PHE   55  18.64 +/- 2.86   1.037% *  0.4418% (0.45   0.02   0.02) =   0.020%
          QG1   VAL   83 - HN    PHE   55  17.94 +/- 2.33   1.097% *  0.2883% (0.29   0.02   0.02) =   0.014%
    Distance limit 4.82 A violated in 0 structures by 0.28 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.664, support = 8.13, residual support = 50.5:
          HB3   GLN   30 - HN    LEU   31   3.05 +/- 0.22  74.864% * 88.1012% (0.68   8.23  51.14) =  97.804%  kept
          HB    ILE   56 - HN    PHE   55   5.66 +/- 0.78  14.442% * 10.1617% (0.17   3.77  22.07) =   2.176%  kept
          HB2   MET   92 - HN    PHE   55  12.44 +/- 4.28   2.738% *  0.1248% (0.39   0.02   0.02) =   0.005%
          HB3   PRO   58 - HN    PHE   55  10.31 +/- 1.12   2.225% *  0.1410% (0.44   0.02   0.02) =   0.005%
          HB3   LYS+  38 - HN    LEU   31  12.31 +/- 1.36   1.285% *  0.1551% (0.49   0.02   0.02) =   0.003%
          HB3   GLU-  14 - HN    LEU   31  14.81 +/- 2.79   1.159% *  0.1107% (0.35   0.02   0.02) =   0.002%
          HB3   PRO   58 - HN    LEU   31  21.26 +/- 3.98   0.368% *  0.2890% (0.91   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    LEU   31  22.06 +/- 4.35   0.295% *  0.1669% (0.53   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LEU   31  23.96 +/- 2.55   0.187% *  0.2557% (0.81   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   31  15.18 +/- 2.92   0.876% *  0.0455% (0.14   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LEU   31  21.62 +/- 2.92   0.359% *  0.1107% (0.35   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    PHE   55  22.89 +/- 3.11   0.315% *  0.1044% (0.33   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.20 +/- 1.95   0.568% *  0.0222% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  28.79 +/- 3.71   0.122% *  0.0757% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  28.14 +/- 3.80   0.124% *  0.0540% (0.17   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  35.38 +/- 5.34   0.071% *  0.0814% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.56, support = 5.85, residual support = 41.2:
          HG2   GLN   30 - HN    LEU   31   5.05 +/- 0.13  42.383% * 67.7335% (0.49   7.45  51.14) =  68.201%  kept
          HB3   ASN   28 - HN    LEU   31   5.07 +/- 0.19  41.829% * 31.9793% (0.71   2.42  19.75) =  31.779%  kept
          HB3   ASN   28 - HN    PHE   55  26.32 +/- 4.82   2.561% *  0.1289% (0.35   0.02   0.02) =   0.008%
          QE    LYS+ 121 - HN    LEU   31  18.83 +/- 5.68   6.347% *  0.0468% (0.13   0.02   0.02) =   0.007%
          QE    LYS+ 121 - HN    PHE   55  16.71 +/- 2.96   6.319% *  0.0228% (0.06   0.02   0.02) =   0.003%
          HG2   GLN   30 - HN    PHE   55  23.58 +/- 3.24   0.560% *  0.0887% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.44 A violated in 0 structures by 0.06 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.637, support = 6.59, residual support = 51.0:
      O   HA    GLN   30 - HN    LEU   31   3.58 +/- 0.03  56.861% * 98.0598% (0.64  10.0   6.61  51.14) =  99.662%  kept
          HB2   CYS   53 - HN    PHE   55   5.13 +/- 0.23  19.709% *  0.8778% (0.13   1.0   0.91   0.02) =   0.309%  kept
          HD3   PRO   52 - HN    PHE   55   6.52 +/- 0.40   9.756% *  0.0532% (0.35   1.0   0.02   0.37) =   0.009%
          HB    THR   39 - HN    LEU   31  10.21 +/- 1.91   3.276% *  0.1037% (0.68   1.0   0.02   0.02) =   0.006%
          HB3   SER   37 - HN    LEU   31  10.75 +/- 1.42   2.603% *  0.0808% (0.53   1.0   0.02   0.02) =   0.004%
          QB    SER   13 - HN    LEU   31  14.52 +/- 3.38   1.877% *  0.1091% (0.71   1.0   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    LEU   31  18.86 +/- 6.69   0.946% *  0.1399% (0.91   1.0   0.02   0.02) =   0.002%
          HB2   CYS   53 - HN    LEU   31  22.47 +/- 3.60   1.038% *  0.0397% (0.26   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   31  25.58 +/- 4.51   0.299% *  0.1091% (0.71   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    LEU   31  20.82 +/- 3.06   0.360% *  0.0808% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    PHE   55  16.96 +/- 2.42   0.669% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.28 +/- 1.20   1.227% *  0.0155% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.10 +/- 2.88   0.218% *  0.0683% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.54 +/- 3.74   0.396% *  0.0318% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  24.94 +/- 3.18   0.244% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  25.30 +/- 3.74   0.207% *  0.0506% (0.33   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  26.21 +/- 3.27   0.173% *  0.0532% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  28.10 +/- 3.25   0.144% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 170.3:
      O   HA    ARG+  54 - HN    ARG+  54   2.74 +/- 0.06  87.866% * 99.0002% (0.61  10.0   6.57 170.28) =  99.992%  kept
          HA    ASN   28 - HN    ARG+  54  23.86 +/- 4.52   1.641% *  0.1530% (0.95   1.0   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    ARG+  54  13.20 +/- 1.45   0.925% *  0.1527% (0.94   1.0   0.02   0.02) =   0.002%
          HA    GLU- 114 - HN    ARG+  54  15.56 +/- 1.51   0.541% *  0.0990% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    ASP-  62  10.53 +/- 1.85   2.818% *  0.0185% (0.11   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASP-  62  11.10 +/- 1.17   1.566% *  0.0286% (0.18   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    ARG+  54  25.64 +/- 3.03   0.154% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  25.03 +/- 4.35   0.362% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.41 +/- 3.76   0.618% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  18.03 +/- 3.66   0.559% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  23.11 +/- 2.95   0.187% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  27.57 +/- 3.17   0.103% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  17.92 +/- 2.77   0.421% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  15.32 +/- 1.02   0.546% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.78 +/- 1.84   0.443% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  18.98 +/- 4.31   0.731% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  21.76 +/- 2.82   0.213% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  19.09 +/- 2.04   0.306% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 85.9:
      O   HB2   TRP   49 - HN    TRP   49   3.50 +/- 0.22  93.951% * 99.6106% (0.98  10.0   4.09  85.95) =  99.994%  kept
          HA    ALA   84 - HN    TRP   49  14.19 +/- 3.45   2.480% *  0.1007% (0.99   1.0   0.02   0.02) =   0.003%
          HA    THR  118 - HN    TRP   49  21.02 +/- 3.19   1.355% *  0.1014% (1.00   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    TRP   49  16.82 +/- 3.69   1.424% *  0.0911% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    TRP   49  19.69 +/- 2.35   0.790% *  0.0961% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 4.65 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 = 2.51, residual support = 15.6:
          QB    ALA   47 - HE1   TRP   49   3.08 +/- 1.74  58.071% * 98.5502% (1.00   2.52  15.67) =  99.648%  kept
          QG1   VAL   42 - HE1   TRP   49  13.82 +/- 3.37  13.894% *  0.7564% (0.97   0.02   0.02) =   0.183%  kept
          HG2   LYS+ 112 - HE1   TRP   49  14.17 +/- 4.19  13.991% *  0.5384% (0.69   0.02   0.02) =   0.131%  kept
          QB    ALA   64 - HE1   TRP   49  14.20 +/- 3.24  14.044% *  0.1551% (0.20   0.02   0.02) =   0.038%
    Distance limit 4.58 A violated in 1 structures by 0.16 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 15.7:
          QB    ALA   47 - HN    TRP   49   2.64 +/- 0.23  96.661% * 99.0110% (1.00   3.71  15.67) =  99.988%  kept
          QG1   VAL   42 - HN    TRP   49  14.23 +/- 2.64   1.105% *  0.5160% (0.97   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - HN    TRP   49  14.58 +/- 3.47   1.359% *  0.3672% (0.69   0.02   0.02) =   0.005%
          QB    ALA   64 - HN    TRP   49  14.04 +/- 2.26   0.875% *  0.1058% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.04 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 = 0.881, support = 0.183, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   5.57 +/- 1.96  53.354% * 73.4876% (0.90   0.19   0.02) =  94.855%  kept
          HD3   PRO   52 - HN    ALA   47   7.26 +/- 1.70  29.501% *  3.5028% (0.41   0.02   0.02) =   2.500%  kept
          HD2   PRO   58 - HN    ALA   47  12.03 +/- 2.41  10.755% *  6.8225% (0.80   0.02   0.02) =   1.775%  kept
          HA    VAL   83 - HN    ALA   47  15.52 +/- 2.27   3.250% *  6.1870% (0.73   0.02   0.02) =   0.486%  kept
          HA    GLU- 100 - HN    ALA   47  24.39 +/- 3.01   1.647% *  5.8527% (0.69   0.02   0.02) =   0.233%  kept
          HA    GLN   30 - HN    ALA   47  21.78 +/- 2.39   1.493% *  4.1473% (0.49   0.02   0.02) =   0.150%  kept
    Distance limit 4.48 A violated in 6 structures by 0.89 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 = 39.8:
      O   HB2   ASP-  44 - HN    ASP-  44   2.80 +/- 0.43  84.976% * 96.2164% (0.87  10.0   3.14  39.92) =  99.610%  kept
          HB3   PHE   72 - HN    ASP-  44   6.95 +/- 1.43   9.496% *  3.3337% (0.76   1.0   0.79   0.02) =   0.386%  kept
          QG    GLN   90 - HN    ASP-  44  12.75 +/- 0.96   1.117% *  0.0762% (0.69   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  44  16.44 +/- 3.62   0.695% *  0.1049% (0.95   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP-  44  16.06 +/- 2.83   0.638% *  0.0926% (0.84   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    ASP-  44  13.35 +/- 2.12   1.293% *  0.0378% (0.34   1.0   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ASP-  44  13.20 +/- 1.73   1.202% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  23.06 +/- 3.47   0.233% *  0.0995% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.70 +/- 1.55   0.349% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.856, support = 1.21, residual support = 3.76:
          HB2   LEU   73 - HN    ASP-  44   7.50 +/- 2.34  29.972% * 88.5411% (0.87   1.25   3.89) =  96.540%  kept
          HB    ILE   89 - HN    ASP-  44  10.13 +/- 1.11  11.583% *  2.9334% (0.15   0.23   0.02) =   1.236%  kept
          QD    LYS+ 106 - HN    ASP-  44  11.29 +/- 1.87  11.207% *  1.6002% (0.98   0.02   0.02) =   0.652%  kept
          QG1   ILE   56 - HN    ASP-  44  10.18 +/- 1.61  14.098% *  0.9902% (0.61   0.02   0.02) =   0.508%  kept
          QD    LYS+  99 - HN    ASP-  44  14.10 +/- 2.10   5.162% *  1.6181% (0.99   0.02   0.02) =   0.304%  kept
          HB3   MET   92 - HN    ASP-  44  12.29 +/- 1.12   6.862% *  1.1855% (0.73   0.02   0.02) =   0.296%  kept
          HG3   PRO   93 - HN    ASP-  44  11.91 +/- 1.55   8.594% *  0.5039% (0.31   0.02   0.02) =   0.158%  kept
          HB3   LYS+  99 - HN    ASP-  44  14.65 +/- 1.67   4.140% *  0.7947% (0.49   0.02   0.02) =   0.120%  kept
          HD2   LYS+ 111 - HN    ASP-  44  18.85 +/- 3.05   3.013% *  0.9902% (0.61   0.02   0.02) =   0.109%  kept
          HB2   LEU  123 - HN    ASP-  44  19.01 +/- 3.12   2.244% *  0.5569% (0.34   0.02   0.02) =   0.045%
          QD    LYS+ 102 - HN    ASP-  44  16.21 +/- 1.76   3.126% *  0.2859% (0.18   0.02   0.02) =   0.033%
    Distance limit 4.61 A violated in 14 structures by 1.86 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.617, support = 1.03, residual support = 4.31:
          HB2   LYS+  74 - HN    ASP-  44   7.49 +/- 3.06  30.138% * 47.0606% (0.65   1.16   5.10) =  65.667%  kept
          HD3   LYS+  74 - HN    ASP-  44   8.74 +/- 3.07  19.015% * 21.4469% (0.28   1.23   5.10) =  18.881%  kept
          QD    LYS+  66 - HN    ASP-  44  12.66 +/- 2.04   9.896% * 17.1760% (0.90   0.31   0.02) =   7.870%  kept
          HG2   LYS+  65 - HN    ASP-  44  11.43 +/- 2.89  13.384% * 10.5497% (0.95   0.18   0.02) =   6.537%  kept
          QG2   THR   26 - HN    ASP-  44  11.76 +/- 2.13   8.933% *  1.1231% (0.90   0.02   0.02) =   0.465%  kept
          HD2   LYS+ 121 - HN    ASP-  44  15.72 +/- 3.63   4.877% *  1.2275% (0.98   0.02   0.02) =   0.277%  kept
          HG    LEU  104 - HN    ASP-  44  13.87 +/- 2.32   5.787% *  0.5148% (0.41   0.02   0.02) =   0.138%  kept
          HB3   LYS+ 121 - HN    ASP-  44  16.40 +/- 3.48   3.829% *  0.5148% (0.41   0.02   0.02) =   0.091%
          HB3   LYS+ 111 - HN    ASP-  44  17.00 +/- 2.83   4.142% *  0.3865% (0.31   0.02   0.02) =   0.074%
    Distance limit 4.76 A violated in 11 structures by 1.67 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 4.01, residual support = 39.9:
      O   HB3   ASP-  44 - HN    ASP-  44   3.39 +/- 0.40  68.117% * 99.1884% (0.99  10.0   4.01  39.92) =  99.964%  kept
          HB2   LEU   63 - HN    ASP-  44   8.37 +/- 1.60   7.282% *  0.0947% (0.95   1.0   0.02   0.02) =   0.010%
          HG    LEU   98 - HN    ASP-  44  10.29 +/- 2.11   3.967% *  0.0947% (0.95   1.0   0.02   0.02) =   0.006%
          HB3   PRO   93 - HN    ASP-  44   9.76 +/- 1.57   4.394% *  0.0836% (0.84   1.0   0.02   0.02) =   0.005%
          QB    ALA   84 - HN    ASP-  44   9.73 +/- 1.54   4.018% *  0.0868% (0.87   1.0   0.02   0.02) =   0.005%
          HB3   LEU   80 - HN    ASP-  44  10.82 +/- 3.11   3.750% *  0.0868% (0.87   1.0   0.02   0.02) =   0.005%
          HB2   LEU   31 - HN    ASP-  44  13.27 +/- 2.30   1.718% *  0.0727% (0.73   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ASP-  44  11.59 +/- 2.11   2.559% *  0.0278% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ASP-  44  19.41 +/- 2.93   0.491% *  0.0992% (0.99   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  44  18.13 +/- 2.66   0.563% *  0.0647% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ASP-  44  15.67 +/- 1.92   0.863% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  15.87 +/- 2.65   1.186% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.16 +/- 1.38   0.517% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.65 +/- 1.70   0.573% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.75, residual support = 16.1:
          QG1   VAL   43 - HN    ASP-  44   3.97 +/- 0.78  49.965% * 91.6384% (0.90   4.83  16.39) =  98.223%  kept
          QG2   THR   46 - HN    ASP-  44   6.39 +/- 1.12  17.901% *  2.3418% (0.99   0.11   0.19) =   0.899%  kept
          QG1   VAL   41 - HN    ASP-  44   8.56 +/- 1.00   6.663% *  4.9340% (0.73   0.32   0.02) =   0.705%  kept
          QG2   VAL   18 - HN    ASP-  44   9.03 +/- 4.26  11.899% *  0.4221% (1.00   0.02   0.02) =   0.108%  kept
          QD1   ILE   19 - HN    ASP-  44  10.51 +/- 2.50   5.321% *  0.3233% (0.76   0.02   0.02) =   0.037%
          QD2   LEU  104 - HN    ASP-  44  11.47 +/- 1.76   3.476% *  0.2566% (0.61   0.02   0.02) =   0.019%
          HG    LEU   31 - HN    ASP-  44  11.29 +/- 2.58   4.775% *  0.0837% (0.20   0.02   0.02) =   0.009%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.636, support = 3.8, residual support = 15.8:
          QG2   VAL   43 - HN    ASP-  44   3.57 +/- 0.43  66.513% * 83.6346% (0.65   3.90  16.39) =  96.692%  kept
          QG2   VAL   83 - HN    ASP-  44   7.62 +/- 1.93  14.754% *  6.5119% (0.31   0.64   0.02) =   1.670%  kept
          QD1   ILE   89 - HN    ASP-  44   6.83 +/- 0.97  11.910% *  5.3052% (0.14   1.18   0.02) =   1.098%  kept
          QD2   LEU   31 - HN    ASP-  44   9.06 +/- 1.81   6.823% *  4.5482% (0.76   0.18   0.02) =   0.539%  kept
    Distance limit 3.55 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.523, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   7.99 +/- 0.49  72.917% * 36.5033% (0.53   0.02   0.02) =  75.168%  kept
          HA    ASP-  78 - HN    VAL   43  15.42 +/- 1.82  14.483% * 42.0822% (0.61   0.02   0.02) =  17.212%  kept
          HA    THR   23 - HN    VAL   43  16.05 +/- 3.07  12.599% * 21.4145% (0.31   0.02   0.02) =   7.620%  kept
    Distance limit 4.65 A violated in 20 structures by 3.24 A, eliminated.
    Peak unassigned.
 
    Peak 1011 (5.33, 9.16, 125.94 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.5, residual support = 15.6:
          HA    MET   96 - HN    VAL   43   6.06 +/- 1.80 100.000% *100.0000% (0.53   1.50  15.57) = 100.000%  kept
    Distance limit 4.65 A violated in 6 structures by 1.43 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.961, support = 2.93, residual support = 15.4:
          HB2   MET   96 - HN    VAL   43   4.64 +/- 1.93  51.544% * 94.0492% (0.97   2.96  15.57) =  99.170%  kept
          HB3   ASP-  76 - HN    VAL   43  11.82 +/- 1.53   5.841% *  3.7741% (0.49   0.24   0.02) =   0.451%  kept
          HB    VAL   70 - HN    VAL   43   8.80 +/- 1.87  19.473% *  0.5911% (0.90   0.02   0.02) =   0.235%  kept
          QG    GLN   17 - HN    VAL   43  13.95 +/- 3.81   4.920% *  0.5505% (0.84   0.02   0.02) =   0.055%
          HB2   ASP- 105 - HN    VAL   43  10.11 +/- 2.28  14.273% *  0.1833% (0.28   0.02   0.02) =   0.054%
          HB2   GLU-  25 - HN    VAL   43  18.31 +/- 2.52   1.945% *  0.4786% (0.73   0.02   0.02) =   0.019%
          HG2   GLU- 100 - HN    VAL   43  14.20 +/- 2.25   2.004% *  0.3732% (0.57   0.02   0.02) =   0.015%
    Distance limit 4.69 A violated in 3 structures by 0.37 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.21, residual support = 61.0:
      O   HB    VAL   43 - HN    VAL   43   2.99 +/- 0.44  90.023% * 99.7821% (0.87  10.0   4.21  61.02) =  99.995%  kept
          HB2   LYS+  99 - HN    VAL   43  10.52 +/- 2.82   3.232% *  0.0879% (0.76   1.0   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    VAL   43  15.15 +/- 3.78   3.543% *  0.0177% (0.15   1.0   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    VAL   43  16.23 +/- 1.61   0.677% *  0.0921% (0.80   1.0   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    VAL   43  10.74 +/- 1.34   2.525% *  0.0201% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 0.812, support = 5.06, residual support = 34.7:
          HB    VAL   42 - HN    VAL   43   4.24 +/- 0.40  29.824% * 67.4168% (0.84   5.68  39.57) =  85.511%  kept
          HB3   LEU   73 - HN    VAL   43   8.17 +/- 2.91  12.324% * 17.1646% (0.90   1.35   3.58) =   8.996%  kept
          HB3   ASP-  44 - HN    VAL   43   6.56 +/- 0.47   8.355% *  8.6234% (0.25   2.43  16.39) =   3.064%  kept
          HG    LEU   98 - HN    VAL   43   6.91 +/- 2.91  16.310% *  2.2607% (0.49   0.33   0.02) =   1.568%  kept
          QB    LEU   98 - HN    VAL   43   6.43 +/- 2.05  14.059% *  0.9389% (0.18   0.38   0.02) =   0.561%  kept
          QB    ALA   84 - HN    VAL   43  10.80 +/- 1.09   1.935% *  1.8740% (0.61   0.22   0.02) =   0.154%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.95 +/- 2.77   6.067% *  0.2835% (1.00   0.02   0.02) =   0.073%
          HB3   PRO   93 - HN    VAL   43  11.46 +/- 2.01   2.750% *  0.1838% (0.65   0.02   0.02) =   0.021%
          HG3   LYS+  65 - HN    VAL   43  13.28 +/- 1.78   1.168% *  0.2374% (0.84   0.02   0.02) =   0.012%
          HG3   LYS+ 102 - HN    VAL   43  14.22 +/- 2.13   0.933% *  0.2623% (0.92   0.02   0.02) =   0.010%
          HG3   LYS+  33 - HN    VAL   43  14.02 +/- 1.24   0.922% *  0.2172% (0.76   0.02   0.02) =   0.009%
          HB2   LEU   63 - HN    VAL   43   9.53 +/- 2.12   3.680% *  0.0498% (0.18   0.02   0.02) =   0.008%
          HB2   LYS+ 112 - HN    VAL   43  16.96 +/- 2.21   0.621% *  0.2742% (0.97   0.02   0.02) =   0.007%
          QB    ALA  124 - HN    VAL   43  18.53 +/- 3.90   0.669% *  0.1067% (0.38   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    VAL   43  20.44 +/- 3.35   0.384% *  0.1067% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.66 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 = 0.887, support = 5.23, residual support = 58.2:
          QG1   VAL   43 - HN    VAL   43   2.50 +/- 0.81  67.478% * 67.8887% (0.90   5.36  61.02) =  95.201%  kept
          QG1   VAL   41 - HN    VAL   43   6.61 +/- 0.41   7.531% * 29.0665% (0.73   2.83   1.43) =   4.549%  kept
          HG    LEU   31 - HN    VAL   43  10.47 +/- 2.77   3.122% *  2.0959% (0.20   0.75   0.02) =   0.136%  kept
          QG2   VAL   18 - HN    VAL   43  10.57 +/- 3.70  11.103% *  0.2818% (1.00   0.02   0.02) =   0.065%
          QG2   THR   46 - HN    VAL   43   9.14 +/- 1.24   3.623% *  0.2799% (0.99   0.02   0.02) =   0.021%
          QD2   LEU  104 - HN    VAL   43   8.44 +/- 2.31   4.359% *  0.1713% (0.61   0.02   0.02) =   0.016%
          QD1   ILE   19 - HN    VAL   43  10.96 +/- 2.46   2.784% *  0.2158% (0.76   0.02   0.02) =   0.012%
    Distance limit 3.62 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 = 0.69, support = 1.97, residual support = 1.68:
          QG2   VAL   41 - HN    VAL   43   5.15 +/- 0.69  23.177% * 81.8423% (0.73   2.20   1.43) =  85.953%  kept
          QD1   LEU   73 - HN    VAL   43   7.39 +/- 2.53  17.996% * 15.2781% (0.45   0.67   3.58) =  12.458%  kept
          QD2   LEU   98 - HN    VAL   43   5.60 +/- 2.65  28.469% *  0.5391% (0.53   0.02   0.02) =   0.695%  kept
          QD2   LEU   63 - HN    VAL   43   7.40 +/- 2.52  13.384% *  1.0044% (0.98   0.02   0.02) =   0.609%  kept
          QD1   LEU   63 - HN    VAL   43   8.17 +/- 2.58   8.031% *  0.4594% (0.45   0.02   0.02) =   0.167%  kept
          QD1   LEU   80 - HN    VAL   43  11.59 +/- 2.80   2.912% *  0.5391% (0.53   0.02   0.02) =   0.071%
          QD2   LEU   80 - HN    VAL   43  11.22 +/- 2.82   3.290% *  0.1581% (0.15   0.02   0.02) =   0.024%
          QD2   LEU  115 - HN    VAL   43  11.53 +/- 1.28   2.741% *  0.1795% (0.18   0.02   0.02) =   0.022%
    Distance limit 4.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.1, residual support = 39.6:
          QG1   VAL   42 - HN    VAL   43   2.84 +/- 0.48  86.189% * 99.2408% (0.97   5.10  39.57) =  99.980%  kept
          QB    ALA   64 - HN    VAL   43   7.20 +/- 1.20  11.512% *  0.0798% (0.20   0.02   0.02) =   0.011%
          QB    ALA   47 - HN    VAL   43  12.43 +/- 1.33   1.514% *  0.4024% (1.00   0.02   0.02) =   0.007%
          HG2   LYS+ 112 - HN    VAL   43  16.32 +/- 2.31   0.784% *  0.2770% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.888, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    VAL   43   6.97 +/- 1.26  41.061% * 34.1913% (0.90   0.02   0.02) =  42.105%  kept
          QG2   VAL   83 - HN    VAL   43   8.19 +/- 1.62  28.613% * 38.1246% (1.00   0.02   0.02) =  32.716%  kept
          QD2   LEU   31 - HN    VAL   43   8.56 +/- 2.34  30.326% * 27.6841% (0.73   0.02   0.02) =  25.179%  kept
    Distance limit 4.12 A violated in 11 structures by 1.71 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 = 0.936, support = 5.9, residual support = 27.6:
          HB    VAL   41 - HN    VAL   42   3.74 +/- 0.68  53.312% * 89.9123% (0.97   6.04  28.65) =  96.125%  kept
          HB2   LEU   71 - HN    VAL   42   7.21 +/- 2.46  22.631% *  8.3793% (0.22   2.44   1.07) =   3.803%  kept
          HG12  ILE  103 - HN    VAL   42  10.85 +/- 2.83   3.431% *  0.3086% (1.00   0.02   0.02) =   0.021%
          QB    LYS+  66 - HN    VAL   42  11.43 +/- 1.91   2.634% *  0.2578% (0.84   0.02   0.02) =   0.014%
          HG    LEU  123 - HN    VAL   42  18.28 +/- 5.15   1.939% *  0.2768% (0.90   0.02   0.02) =   0.011%
          QB    LYS+  65 - HN    VAL   42  10.99 +/- 1.78   3.151% *  0.0770% (0.25   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HN    VAL   42  11.91 +/- 2.97   4.766% *  0.0476% (0.15   0.02   0.02) =   0.005%
          HG2   PRO   93 - HN    VAL   42  16.10 +/- 2.07   1.168% *  0.1747% (0.57   0.02   0.02) =   0.004%
          QB    LYS+ 102 - HN    VAL   42  12.91 +/- 2.56   1.694% *  0.1053% (0.34   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    VAL   42  19.48 +/- 3.30   0.575% *  0.2768% (0.90   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    VAL   42  13.09 +/- 1.68   1.866% *  0.0687% (0.22   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    VAL   42  12.94 +/- 2.56   1.952% *  0.0611% (0.20   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL   42  19.85 +/- 3.80   0.882% *  0.0540% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.978, support = 6.15, residual support = 88.7:
      O   HB    VAL   42 - HN    VAL   42   2.88 +/- 0.42  61.052% * 92.1102% (0.98  10.0   6.21  89.61) =  99.001%  kept
          HB3   LEU   73 - HN    VAL   42   7.50 +/- 1.81   8.174% *  3.6809% (0.95   1.0   0.83   1.04) =   0.530%  kept
          QB    LEU   98 - HN    VAL   42   7.60 +/- 3.09   7.229% *  3.5806% (0.57   1.0   1.35   0.42) =   0.456%  kept
          HG3   LYS+  33 - HN    VAL   42  11.14 +/- 1.57   1.971% *  0.0938% (1.00   1.0   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    VAL   42   8.48 +/- 3.55   8.937% *  0.0127% (0.14   1.0   0.02   0.42) =   0.002%
          HB3   LYS+  74 - HN    VAL   42   9.97 +/- 2.32   3.100% *  0.0290% (0.31   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    VAL   42  12.30 +/- 3.01   1.208% *  0.0718% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    VAL   42  12.93 +/- 1.45   0.861% *  0.0921% (0.98   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   42  15.77 +/- 5.47   2.629% *  0.0261% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   42  15.42 +/- 2.76   0.499% *  0.0867% (0.92   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    VAL   42  18.03 +/- 3.42   0.454% *  0.0785% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   42  14.21 +/- 2.32   1.195% *  0.0209% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  19.33 +/- 2.76   0.301% *  0.0815% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  13.99 +/- 3.04   1.428% *  0.0165% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  13.27 +/- 1.30   0.961% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 1.26, residual support = 1.87:
          QD1   LEU   40 - HN    VAL   42   4.55 +/- 0.93  75.785% * 97.9633% (0.98   1.26   1.88) =  99.605%  kept
          QD2   LEU   67 - HN    VAL   42   8.45 +/- 1.54  21.788% *  1.2667% (0.80   0.02   0.02) =   0.370%  kept
          QG1   VAL  108 - HN    VAL   42  15.12 +/- 1.76   2.427% *  0.7700% (0.49   0.02   0.02) =   0.025%
    Distance limit 4.61 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.807, support = 5.25, residual support = 33.9:
          QG1   VAL   41 - HN    VAL   42   4.19 +/- 0.31  37.038% * 46.1646% (0.73   5.44  28.65) =  51.704%  kept
          QG1   VAL   43 - HN    VAL   42   4.82 +/- 1.02  30.030% * 53.0045% (0.90   5.06  39.57) =  48.131%  kept
          QG2   VAL   18 - HN    VAL   42   9.55 +/- 3.74  10.380% *  0.2330% (1.00   0.02   0.02) =   0.073%
          QD1   ILE   19 - HN    VAL   42   8.89 +/- 2.71   6.661% *  0.1785% (0.76   0.02   0.02) =   0.036%
          QG2   THR   46 - HN    VAL   42  10.69 +/- 1.76   3.512% *  0.2315% (0.99   0.02   0.02) =   0.025%
          QD2   LEU  104 - HN    VAL   42   9.37 +/- 2.90   4.853% *  0.1417% (0.61   0.02   0.02) =   0.021%
          HG    LEU   31 - HN    VAL   42   8.75 +/- 2.32   7.526% *  0.0462% (0.20   0.02   0.02) =   0.011%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.718, support = 5.83, residual support = 27.7:
          QG2   VAL   41 - HN    VAL   42   3.56 +/- 0.39  43.683% * 90.1972% (0.73   6.02  28.65) =  96.564%  kept
          QD1   LEU   73 - HN    VAL   42   6.72 +/- 1.93  13.931% *  5.7066% (0.45   0.62   1.04) =   1.948%  kept
          QD2   LEU   98 - HN    VAL   42   6.73 +/- 3.20  16.960% *  3.1537% (0.53   0.29   0.42) =   1.311%  kept
          QD2   LEU   63 - HN    VAL   42   7.59 +/- 2.53  12.860% *  0.4045% (0.98   0.02   0.02) =   0.127%  kept
          QD1   LEU   63 - HN    VAL   42   8.62 +/- 2.40   7.245% *  0.1850% (0.45   0.02   0.02) =   0.033%
          QD1   LEU   80 - HN    VAL   42  12.80 +/- 3.46   2.233% *  0.2171% (0.53   0.02   0.02) =   0.012%
          QD2   LEU   80 - HN    VAL   42  12.33 +/- 3.37   2.019% *  0.0637% (0.15   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    VAL   42  13.30 +/- 1.52   1.069% *  0.0723% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.51 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 = 89.6:
          QG1   VAL   42 - HN    VAL   42   3.55 +/- 0.56  97.284% * 99.2598% (0.87   5.45  89.61) =  99.990%  kept
          QB    ALA   47 - HN    VAL   42  14.38 +/- 1.93   1.855% *  0.3211% (0.76   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - HN    VAL   42  18.75 +/- 2.92   0.862% *  0.4192% (1.00   0.02   0.02) =   0.004%
    Distance limit 4.48 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 = 0.59, support = 5.12, residual support = 85.3:
          QG2   VAL   42 - HN    VAL   42   2.90 +/- 0.55  54.985% * 87.6084% (0.61   5.34  89.61) =  95.183%  kept
          QG2   VAL   70 - HN    VAL   42   4.19 +/- 1.28  32.104% *  4.3651% (0.14   1.19   0.51) =   2.769%  kept
          QG2   VAL   75 - HN    VAL   42   6.70 +/- 1.86  12.911% *  8.0265% (0.45   0.66   0.02) =   2.048%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 4.65, residual support = 75.6:
      O   HB    VAL   41 - HN    VAL   41   3.28 +/- 0.42  65.520% * 95.4701% (0.90  10.0   4.68  76.13) =  99.312%  kept
          HB2   LEU   71 - HN    VAL   41   7.64 +/- 2.15  10.540% *  3.9721% (0.61   1.0   1.23   2.75) =   0.665%  kept
          HG    LEU  123 - HN    VAL   41  19.05 +/- 6.53   9.969% *  0.0518% (0.49   1.0   0.02   0.02) =   0.008%
          HG12  ILE  103 - HN    VAL   41  10.48 +/- 3.52   3.739% *  0.0814% (0.76   1.0   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    VAL   41  11.24 +/- 3.56   3.144% *  0.0814% (0.76   1.0   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    VAL   41  13.11 +/- 2.26   1.834% *  0.1055% (0.99   1.0   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    VAL   41  13.43 +/- 1.35   1.194% *  0.0689% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    VAL   41  14.49 +/- 3.48   3.310% *  0.0164% (0.15   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    VAL   41  18.89 +/- 2.41   0.401% *  0.1007% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    VAL   41  22.42 +/- 3.51   0.349% *  0.0518% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.197, support = 4.32, residual support = 20.2:
          HG    LEU   40 - HN    VAL   41   3.57 +/- 0.81  56.315% * 70.3655% (0.18   4.53  21.29) =  95.096%  kept
          HG    LEU   73 - HN    VAL   41   9.79 +/- 2.71   9.817% * 16.5817% (0.61   0.31   0.02) =   3.907%  kept
          QB    ALA   61 - HN    VAL   41  11.94 +/- 3.29   8.250% *  1.7718% (1.00   0.02   0.02) =   0.351%  kept
          HB3   LEU   67 - HN    VAL   41  11.05 +/- 2.15   3.731% *  1.6798% (0.95   0.02   0.02) =   0.150%  kept
          HD3   LYS+ 121 - HN    VAL   41  16.06 +/- 6.69   8.114% *  0.6057% (0.34   0.02   0.02) =   0.118%  kept
          HG12  ILE   19 - HN    VAL   41  11.60 +/- 3.03   2.843% *  1.5925% (0.90   0.02   0.02) =   0.109%  kept
          QG    LYS+  66 - HN    VAL   41  13.47 +/- 2.84   2.625% *  1.4219% (0.80   0.02   0.02) =   0.090%
          HG    LEU   80 - HN    VAL   41  17.73 +/- 4.37   1.103% *  1.7137% (0.97   0.02   0.02) =   0.045%
          HG2   LYS+ 102 - HN    VAL   41  13.31 +/- 4.23   2.040% *  0.8643% (0.49   0.02   0.02) =   0.042%
          HB2   LEU   80 - HN    VAL   41  17.03 +/- 3.54   1.631% *  0.8643% (0.49   0.02   0.02) =   0.034%
          HB3   LYS+  74 - HN    VAL   41  13.35 +/- 2.38   2.239% *  0.5481% (0.31   0.02   0.02) =   0.029%
          QB    ALA  110 - HN    VAL   41  18.56 +/- 2.24   0.580% *  1.6798% (0.95   0.02   0.02) =   0.023%
          HB3   LEU  115 - HN    VAL   41  17.70 +/- 2.43   0.711% *  0.3110% (0.18   0.02   0.02) =   0.005%
    Distance limit 3.73 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.771, support = 1.47, residual support = 6.17:
          QB    ALA   34 - HN    VAL   41   5.13 +/- 1.26  45.170% * 72.7455% (0.90   1.49   7.69) =  79.540%  kept
          QG2   THR   39 - HN    VAL   41   5.51 +/- 0.97  37.789% * 21.7387% (0.28   1.44   0.30) =  19.885%  kept
          HG3   LYS+  38 - HN    VAL   41  10.25 +/- 1.14   6.051% *  3.1026% (0.53   0.11   0.02) =   0.454%  kept
          QG2   THR   23 - HN    VAL   41  16.35 +/- 1.46   1.479% *  1.0784% (0.99   0.02   0.02) =   0.039%
          QG2   THR   77 - HN    VAL   41  14.05 +/- 2.80   6.317% *  0.2422% (0.22   0.02   0.02) =   0.037%
          QG2   ILE   56 - HN    VAL   41  15.64 +/- 2.68   1.795% *  0.7901% (0.73   0.02   0.02) =   0.034%
          QB    ALA   91 - HN    VAL   41  17.73 +/- 1.87   1.399% *  0.3025% (0.28   0.02   0.02) =   0.010%
    Distance limit 4.43 A violated in 1 structures by 0.21 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 4.64, residual support = 21.1:
          QD2   LEU   40 - HN    VAL   41   2.68 +/- 0.68  71.206% * 92.0210% (0.92   4.68  21.29) =  98.976%  kept
          QD2   LEU   71 - HN    VAL   41   7.53 +/- 2.11   9.979% *  6.2137% (0.65   0.45   2.75) =   0.937%  kept
          QD1   LEU   67 - HN    VAL   41   8.27 +/- 1.89   6.553% *  0.4030% (0.95   0.02   0.02) =   0.040%
          QG2   ILE  103 - HN    VAL   41   9.80 +/- 2.76   3.110% *  0.4223% (0.99   0.02   0.02) =   0.020%
          QD1   ILE  103 - HN    VAL   41  10.12 +/- 2.67   2.914% *  0.2242% (0.53   0.02   0.02) =   0.010%
          HB    VAL   75 - HN    VAL   41  11.61 +/- 2.03   2.806% *  0.1453% (0.34   0.02   0.02) =   0.006%
          QG2   ILE  119 - HN    VAL   41  14.86 +/- 3.97   2.593% *  0.1453% (0.34   0.02   0.02) =   0.006%
          HG3   LYS+  74 - HN    VAL   41  14.80 +/- 2.23   0.839% *  0.4251% (1.00   0.02   0.02) =   0.005%
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.53, residual support = 75.7:
          QG1   VAL   41 - HN    VAL   41   2.41 +/- 0.46  76.645% * 92.1638% (1.00   4.56  76.13) =  99.443%  kept
          QG1   VAL   43 - HN    VAL   41   6.98 +/- 0.98   5.598% *  6.5441% (0.95   0.34   1.43) =   0.516%  kept
          QD2   LEU   73 - HN    VAL   41   7.50 +/- 1.94   3.680% *  0.1813% (0.45   0.02   0.02) =   0.009%
          HG    LEU   31 - HN    VAL   41   8.98 +/- 1.67   2.666% *  0.2453% (0.61   0.02   0.02) =   0.009%
          QG2   VAL   18 - HN    VAL   41  11.71 +/- 2.71   1.889% *  0.3091% (0.76   0.02   0.02) =   0.008%
          QD2   LEU  104 - HN    VAL   41   7.94 +/- 3.66   5.961% *  0.0800% (0.20   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    VAL   41   9.93 +/- 2.31   2.516% *  0.1248% (0.31   0.02   0.02) =   0.004%
          QG2   THR   46 - HN    VAL   41  13.62 +/- 1.95   0.670% *  0.2616% (0.65   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    VAL   41  15.44 +/- 1.81   0.374% *  0.0900% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.709, support = 4.11, residual support = 71.7:
          QG2   VAL   41 - HN    VAL   41   3.12 +/- 0.84  59.407% * 79.5364% (0.73   4.35  76.13) =  91.851%  kept
          QD2   LEU   98 - HN    VAL   41   6.52 +/- 3.72  21.685% * 19.0876% (0.53   1.44  22.29) =   8.046%  kept
          QD2   LEU   63 - HN    VAL   41   9.36 +/- 2.69   4.591% *  0.4936% (0.98   0.02   0.02) =   0.044%
          QD1   LEU   73 - HN    VAL   41   8.79 +/- 2.09   6.744% *  0.2258% (0.45   0.02   0.02) =   0.030%
          QD1   LEU   80 - HN    VAL   41  15.41 +/- 3.82   2.519% *  0.2650% (0.53   0.02   0.02) =   0.013%
          QD1   LEU   63 - HN    VAL   41  10.48 +/- 2.15   2.678% *  0.2258% (0.45   0.02   0.02) =   0.012%
          QD2   LEU   80 - HN    VAL   41  14.81 +/- 3.78   1.460% *  0.0777% (0.15   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    VAL   41  15.08 +/- 1.67   0.916% *  0.0882% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.32 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 = 2.61, residual support = 2.6:
          QG2   VAL   70 - HN    VAL   41   4.77 +/- 1.19  85.672% * 98.3893% (0.18   2.62   2.61) =  99.727%  kept
          QG2   THR  118 - HN    VAL   41  12.66 +/- 3.43  14.328% *  1.6107% (0.38   0.02   0.02) =   0.273%  kept
    Distance limit 4.97 A violated in 1 structures by 0.38 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.714, support = 1.29, residual support = 12.3:
          HB2   SER   37 - HN    LEU   40   6.10 +/- 0.32  35.199% * 50.5625% (0.92   1.17   0.58) =  54.071%  kept
          HA    VAL   70 - HN    LEU   40   5.35 +/- 1.33  47.887% * 23.0336% (0.28   1.77  35.87) =  33.511%  kept
          HA1   GLY   16 - HN    LEU   40  11.99 +/- 5.63  15.621% * 26.1431% (0.98   0.57   0.02) =  12.407%  kept
          HA    GLN  116 - HN    LEU   40  21.36 +/- 3.46   1.294% *  0.2607% (0.28   0.02   0.02) =   0.010%
    Distance limit 4.67 A violated in 0 structures by 0.38 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.407, support = 4.13, residual support = 24.3:
          HB    THR   39 - HN    LEU   40   3.89 +/- 0.67  66.277% * 83.7857% (0.41   4.22  24.98) =  97.260%  kept
          HB3   SER   37 - HN    LEU   40   7.42 +/- 0.46  11.668% * 12.3686% (0.28   0.92   0.58) =   2.528%  kept
          QB    SER   13 - HN    LEU   40  14.37 +/- 3.84  15.375% *  0.4329% (0.45   0.02   0.02) =   0.117%  kept
          HA    GLN   30 - HN    LEU   40  11.35 +/- 1.91   4.694% *  0.9134% (0.95   0.02   0.02) =   0.075%
          HD3   PRO   52 - HN    LEU   40  25.21 +/- 4.35   0.391% *  0.9464% (0.98   0.02   0.02) =   0.006%
          HB3   SER   82 - HN    LEU   40  23.13 +/- 2.88   0.457% *  0.7379% (0.76   0.02   0.02) =   0.006%
          HB2   CYS   53 - HN    LEU   40  22.13 +/- 3.40   0.576% *  0.5467% (0.57   0.02   0.02) =   0.006%
          HA    ILE   89 - HN    LEU   40  21.17 +/- 2.11   0.560% *  0.2685% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.62 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 = 0.458, support = 0.856, residual support = 5.62:
          QE    LYS+  99 - HN    LEU   40   8.35 +/- 6.74  48.545% * 47.0889% (0.57   0.65   9.29) =  56.872%  kept
          QE    LYS+  38 - HN    LEU   40   6.72 +/- 1.82  37.882% * 45.1325% (0.31   1.14   0.78) =  42.536%  kept
          HB2   PHE   97 - HN    LEU   40  13.55 +/- 4.09   4.574% *  2.4685% (0.97   0.02   0.71) =   0.281%  kept
          HB3   TRP   27 - HN    LEU   40  14.03 +/- 1.58   2.707% *  2.5072% (0.98   0.02   0.02) =   0.169%  kept
          QE    LYS+ 106 - HN    LEU   40  16.78 +/- 2.88   1.751% *  1.4482% (0.57   0.02   0.02) =   0.063%
          HB3   PHE   60 - HN    LEU   40  15.81 +/- 3.12   2.452% *  0.9600% (0.38   0.02   0.02) =   0.059%
          QE    LYS+ 102 - HN    LEU   40  15.95 +/- 3.45   2.088% *  0.3947% (0.15   0.02   0.02) =   0.021%
    Distance limit 4.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.02, residual support = 104.9:
      O   HB2   LEU   40 - HN    LEU   40   2.39 +/- 0.39  95.517% * 99.7221% (0.97  10.0   5.02 104.88) =  99.997%  kept
          HB3   GLU-  14 - HN    LEU   40  14.61 +/- 3.52   1.470% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   40  14.36 +/- 2.34   0.853% *  0.0954% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   MET   11 - HN    LEU   40  22.61 +/- 4.45   0.925% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  13.87 +/- 4.27   1.057% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  24.24 +/- 4.75   0.177% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.664, support = 5.02, residual support = 104.9:
      O   HB3   LEU   40 - HN    LEU   40   2.89 +/- 0.44  59.158% * 68.7627% (0.61  10.0   4.83 104.88) =  81.746%  kept
          HG    LEU   40 - HN    LEU   40   4.04 +/- 0.62  29.595% * 30.6681% (0.92   1.0   5.86 104.88) =  18.239%  kept
          HG    LEU   67 - HN    LEU   40   9.61 +/- 2.28   4.291% *  0.1111% (0.98   1.0   0.02   0.02) =   0.010%
          HG    LEU   73 - HN    LEU   40  11.42 +/- 2.19   1.373% *  0.0508% (0.45   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU   40  13.34 +/- 2.66   1.618% *  0.0315% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40  10.30 +/- 1.85   2.619% *  0.0175% (0.15   1.0   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LEU   40  18.44 +/- 4.71   0.402% *  0.0947% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   40  16.26 +/- 4.74   0.564% *  0.0642% (0.57   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   40  20.20 +/- 2.46   0.211% *  0.1047% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  21.27 +/- 2.10   0.172% *  0.0947% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.452, support = 3.34, residual support = 16.9:
          QG2   THR   39 - HN    LEU   40   3.09 +/- 0.75  69.062% * 30.5217% (0.28   4.12  24.98) =  67.174%  kept
          QB    ALA   34 - HN    LEU   40   5.38 +/- 0.86  20.307% * 38.7832% (0.90   1.62   0.40) =  25.098%  kept
          HG3   LYS+  38 - HN    LEU   40   7.77 +/- 0.98   8.190% * 29.5142% (0.53   2.11   0.78) =   7.704%  kept
          QG2   THR   23 - HN    LEU   40  17.30 +/- 1.42   0.606% *  0.5277% (0.99   0.02   0.02) =   0.010%
          QG2   ILE   56 - HN    LEU   40  17.30 +/- 2.76   0.766% *  0.3866% (0.73   0.02   0.02) =   0.009%
          QG2   THR   77 - HN    LEU   40  16.05 +/- 2.49   0.722% *  0.1185% (0.22   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    LEU   40  20.42 +/- 2.04   0.347% *  0.1480% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.902, support = 1.27, residual support = 19.8:
          QG1   VAL   70 - HN    LEU   40   5.75 +/- 1.31  39.168% * 53.6404% (0.84   1.48  35.87) =  53.065%  kept
          QD1   LEU   71 - HN    LEU   40   5.66 +/- 2.05  42.080% * 43.8670% (0.98   1.03   1.56) =  46.622%  kept
          QD1   LEU  123 - HN    LEU   40  16.30 +/- 5.26   6.425% *  0.8487% (0.98   0.02   0.02) =   0.138%  kept
          QG1   VAL   18 - HN    LEU   40  11.70 +/- 3.44   6.035% *  0.6287% (0.73   0.02   0.02) =   0.096%
          HB3   LEU  104 - HN    LEU   40  14.24 +/- 4.84   3.108% *  0.7993% (0.92   0.02   0.02) =   0.063%
          HB3   LEU   63 - HN    LEU   40  13.08 +/- 2.30   3.183% *  0.2159% (0.25   0.02   0.02) =   0.017%
    Distance limit 4.19 A violated in 2 structures by 0.48 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.617, support = 4.28, residual support = 83.8:
          QD2   LEU   40 - HN    LEU   40   4.01 +/- 0.60  51.355% * 66.9280% (0.53   5.05 104.88) =  79.598%  kept
          QD2   LEU   71 - HN    LEU   40   6.13 +/- 1.94  28.038% * 31.1874% (0.98   1.26   1.56) =  20.250%  kept
          QD1   LEU   67 - HN    LEU   40   8.04 +/- 1.70  14.653% *  0.2852% (0.57   0.02   0.02) =   0.097%
          QD1   ILE  103 - HN    LEU   40  13.35 +/- 2.71   1.980% *  0.4650% (0.92   0.02   0.02) =   0.021%
          QG2   ILE  103 - HN    LEU   40  12.97 +/- 2.81   2.035% *  0.3460% (0.69   0.02   0.02) =   0.016%
          QG2   ILE  119 - HN    LEU   40  16.21 +/- 3.99   1.050% *  0.3850% (0.76   0.02   0.02) =   0.009%
          HG3   LYS+  74 - HN    LEU   40  16.23 +/- 2.23   0.889% *  0.4034% (0.80   0.02   0.02) =   0.008%
    Distance limit 4.32 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 = 6.21, residual support = 35.9:
          QG2   VAL   70 - HN    LEU   40   4.59 +/- 0.91 100.000% *100.0000% (0.57   6.21  35.87) = 100.000%  kept
    Distance limit 4.51 A violated in 1 structures by 0.35 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.516, support = 1.89, residual support = 3.65:
          HA    GLU-  36 - HN    THR   39   6.67 +/- 0.37  20.829% * 75.8497% (0.80   1.91   0.96) =  50.804%  kept
          HA    ALA   34 - HN    THR   39   3.60 +/- 1.31  73.778% * 20.6951% (0.22   1.87   6.44) =  49.099%  kept
          HA    ASN   28 - HN    THR   39  12.56 +/- 0.83   3.073% *  0.3732% (0.38   0.02   0.02) =   0.037%
          HA    ALA  124 - HN    THR   39  24.16 +/- 8.29   0.787% *  0.9595% (0.97   0.02   0.02) =   0.024%
          HA    LYS+  81 - HN    THR   39  24.37 +/- 3.07   0.638% *  0.8917% (0.90   0.02   0.02) =   0.018%
          HA    ARG+  54 - HN    THR   39  25.78 +/- 4.21   0.429% *  0.8917% (0.90   0.02   0.02) =   0.012%
          HA    LEU  115 - HN    THR   39  23.46 +/- 2.88   0.466% *  0.3392% (0.34   0.02   0.02) =   0.005%
    Distance limit 4.40 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.825, support = 3.15, residual support = 9.96:
          HA    SER   37 - HN    THR   39   4.25 +/- 0.19  52.587% * 55.9845% (0.90   3.11   4.04) =  71.526%  kept
          HA    LEU   40 - HN    THR   39   5.31 +/- 0.37  27.661% * 42.1483% (0.65   3.25  24.98) =  28.325%  kept
          HA    GLU-  15 - HN    THR   39  12.43 +/- 3.68   9.855% *  0.3350% (0.84   0.02   0.02) =   0.080%
          HA    GLN   17 - HN    THR   39  14.25 +/- 3.83   2.852% *  0.3597% (0.90   0.02   0.02) =   0.025%
          HA    SER   13 - HN    THR   39  15.76 +/- 3.62   3.018% *  0.3350% (0.84   0.02   0.02) =   0.025%
          HA    VAL   42 - HN    THR   39  11.15 +/- 0.45   2.994% *  0.1368% (0.34   0.02   0.02) =   0.010%
          HA    PRO   58 - HN    THR   39  21.23 +/- 3.45   0.620% *  0.3212% (0.80   0.02   0.02) =   0.005%
          HA    THR   46 - HN    THR   39  22.20 +/- 1.87   0.412% *  0.3794% (0.95   0.02   0.02) =   0.004%
    Distance limit 4.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 3.64, residual support = 35.6:
      O   HB    THR   39 - HN    THR   39   2.75 +/- 0.51  63.773% * 91.3977% (0.41  10.0   3.68  36.87) =  96.164%  kept
          HB3   SER   37 - HN    THR   39   3.74 +/- 0.32  30.010% *  7.7168% (0.28   1.0   2.50   4.04) =   3.821%  kept
          HA    GLN   30 - HN    THR   39   9.45 +/- 1.82   2.561% *  0.2103% (0.95   1.0   0.02   0.02) =   0.009%
          QB    SER   13 - HN    THR   39  13.75 +/- 3.49   3.169% *  0.0997% (0.45   1.0   0.02   0.02) =   0.005%
          HD3   PRO   52 - HN    THR   39  28.13 +/- 4.35   0.126% *  0.2179% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  24.19 +/- 3.80   0.117% *  0.1699% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  25.07 +/- 3.45   0.117% *  0.1259% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  23.57 +/- 1.91   0.127% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.725, support = 3.8, residual support = 23.4:
          QG2   THR   39 - HN    THR   39   3.14 +/- 0.58  52.358% * 19.9585% (0.49   3.61  36.87) =  42.012%  kept
          QB    ALA   34 - HN    THR   39   3.92 +/- 0.71  33.862% * 24.3475% (1.00   2.15   6.44) =  33.146%  kept
          HG3   LYS+  38 - HN    THR   39   5.43 +/- 0.62  11.204% * 55.1315% (0.76   6.35  23.11) =  24.833%  kept
          HG13  ILE   19 - HN    THR   39  11.47 +/- 3.15   1.789% *  0.0450% (0.20   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    THR   39  16.94 +/- 1.23   0.358% *  0.1972% (0.87   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    THR   39  19.89 +/- 2.45   0.260% *  0.2098% (0.92   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    THR   39  22.67 +/- 1.88   0.170% *  0.1106% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.50 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 = 6.62, residual support = 220.0:
      O   HA    LYS+  38 - HN    LYS+  38   2.22 +/- 0.01  94.526% * 99.7734% (0.80  10.0   6.62 220.04) =  99.996%  kept
          HA    GLU- 100 - HN    LYS+  38  12.24 +/- 6.95   5.087% *  0.0705% (0.57   1.0   0.02   0.02) =   0.004%
          HA    VAL   83 - HN    LYS+  38  22.92 +/- 4.06   0.110% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  17.36 +/- 0.90   0.205% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  25.69 +/- 3.25   0.073% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 220.0:
      O   HB2   LYS+  38 - HN    LYS+  38   3.07 +/- 0.19  92.779% * 99.7624% (1.00  10.0   5.95 220.04) =  99.997%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.50 +/- 1.09   1.032% *  0.0724% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LYS+  38  12.30 +/- 1.13   1.757% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    LYS+  38  14.35 +/- 3.23   2.259% *  0.0249% (0.25   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    LYS+  38  12.75 +/- 1.79   1.613% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.73 +/- 0.87   0.444% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  29.37 +/- 2.05   0.116% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.19, residual support = 220.0:
      O   HB3   LYS+  38 - HN    LYS+  38   3.96 +/- 0.11  72.715% * 99.4497% (0.90  10.0   5.20 220.04) =  99.986%  kept
          QB    LYS+  33 - HN    LYS+  38   6.35 +/- 0.58  19.580% *  0.0219% (0.20   1.0   0.02   0.02) =   0.006%
          HB3   GLN   30 - HN    LYS+  38  10.95 +/- 0.93   3.640% *  0.1099% (0.99   1.0   0.02   0.02) =   0.006%
          HG3   MET   11 - HN    LYS+  38  21.48 +/- 4.78   1.718% *  0.0247% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LYS+  38  24.54 +/- 3.99   0.417% *  0.0994% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LYS+  38  28.58 +/- 2.86   0.265% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  25.30 +/- 2.47   0.307% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  19.61 +/- 2.28   0.672% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  24.60 +/- 3.61   0.480% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  28.69 +/- 2.10   0.206% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 219.9:
          HG2   LYS+  38 - HN    LYS+  38   3.37 +/- 0.34  85.880% * 98.4023% (0.65   5.85 220.04) =  99.951%  kept
          QG2   THR   77 - HN    LYS+  38  19.31 +/- 3.75   4.722% *  0.4918% (0.95   0.02   0.02) =   0.027%
          HG2   LYS+  99 - HN    LYS+  38  13.10 +/- 6.78   3.881% *  0.2735% (0.53   0.02   0.02) =   0.013%
          HB2   LEU   31 - HN    LYS+  38   9.66 +/- 0.80   4.334% *  0.1158% (0.22   0.02   0.02) =   0.006%
          QB    ALA   88 - HN    LYS+  38  22.03 +/- 2.42   0.349% *  0.4918% (0.95   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    LYS+  38  17.42 +/- 0.95   0.695% *  0.0802% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  38  31.69 +/- 3.20   0.139% *  0.1446% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.73 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   2.86 +/- 0.57  78.160% * 93.7398% (0.99  10.0   3.80  29.72) =  98.821%  kept
          HB    THR   39 - HN    SER   37   5.48 +/- 0.74  14.789% *  5.8905% (0.99   1.0   1.26   4.04) =   1.175%  kept
          QB    SER   13 - HN    SER   37  13.81 +/- 3.36   2.162% *  0.0927% (0.98   1.0   0.02   0.02) =   0.003%
          HA    GLN   30 - HN    SER   37   8.86 +/- 1.46   4.202% *  0.0187% (0.20   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    SER   37  24.57 +/- 3.95   0.213% *  0.0687% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  25.45 +/- 4.76   0.197% *  0.0723% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  25.64 +/- 2.00   0.142% *  0.0937% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  30.28 +/- 4.30   0.134% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 19.0:
          QB    GLU-  36 - HN    SER   37   3.19 +/- 0.36  89.849% * 98.3018% (1.00   3.71  19.00) =  99.974%  kept
          HB3   GLU-  29 - HN    SER   37  11.45 +/- 1.46   2.624% *  0.4593% (0.87   0.02   0.02) =   0.014%
          HG3   GLU- 100 - HN    SER   37  13.72 +/- 7.46   5.560% *  0.0927% (0.18   0.02   0.02) =   0.006%
          HG3   GLU-  29 - HN    SER   37  13.74 +/- 1.40   1.489% *  0.2577% (0.49   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    SER   37  23.18 +/- 3.00   0.346% *  0.5248% (0.99   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    SER   37  29.57 +/- 2.09   0.132% *  0.3637% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.67 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 = 0.376, support = 4.87, residual support = 20.5:
          HG2   LYS+  38 - HN    SER   37   4.98 +/- 0.18  72.159% * 97.5150% (0.38   4.89  20.57) =  99.762%  kept
          QG2   THR   77 - HN    SER   37  19.43 +/- 3.67  10.538% *  1.0542% (0.99   0.02   0.02) =   0.158%  kept
          HG2   LYS+  99 - HN    SER   37  13.84 +/- 6.88  14.463% *  0.2957% (0.28   0.02   0.02) =   0.061%
          QG2   THR   23 - HN    SER   37  16.91 +/- 1.13   1.963% *  0.3628% (0.34   0.02   0.02) =   0.010%
          QB    ALA   88 - HN    SER   37  22.37 +/- 2.53   0.877% *  0.7723% (0.73   0.02   0.02) =   0.010%
    Distance limit 4.64 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.653, support = 5.87, residual support = 50.2:
          HB2   ASN   35 - HN    GLU-  36   3.68 +/- 0.28  68.191% * 91.5691% (0.65   6.05  51.76) =  96.935%  kept
          QE    LYS+  33 - HN    GLU-  36   5.67 +/- 1.26  28.331% *  6.9180% (0.87   0.34   0.02) =   3.043%  kept
          HB2   ASN   28 - HN    GLU-  36  12.67 +/- 0.77   1.756% *  0.4430% (0.95   0.02   0.02) =   0.012%
          QE    LYS+  65 - HN    GLU-  36  20.47 +/- 2.88   0.804% *  0.4672% (1.00   0.02   0.02) =   0.006%
          HB2   ASP-  86 - HN    GLU-  36  22.64 +/- 4.58   0.414% *  0.4430% (0.95   0.02   0.02) =   0.003%
          HB2   ASP-  78 - HN    GLU-  36  26.13 +/- 3.94   0.505% *  0.1597% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.04 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   3.64 +/- 0.31  98.344% * 99.4312% (0.97   4.82  86.30) =  99.996%  kept
          HG3   MET   96 - HN    GLU-  36  19.36 +/- 2.90   0.832% *  0.3424% (0.80   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    GLU-  36  22.38 +/- 3.06   0.562% *  0.1605% (0.38   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  36  29.57 +/- 4.38   0.262% *  0.0660% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.3:
      O   QB    GLU-  36 - HN    GLU-  36   2.16 +/- 0.22  95.884% * 99.6951% (0.90  10.0   7.31  86.30) =  99.998%  kept
          HG3   GLU- 100 - HN    GLU-  36  14.37 +/- 7.02   2.041% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  36  10.01 +/- 1.11   1.130% *  0.0674% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  36  12.24 +/- 1.16   0.613% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  23.23 +/- 3.52   0.122% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.41 +/- 0.62   0.165% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  29.88 +/- 2.29   0.044% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.82, residual support = 86.3:
          HG3   GLU-  36 - HN    GLU-  36   3.50 +/- 0.64  86.876% * 97.3051% (0.65   4.82  86.30) =  99.957%  kept
          QB    MET   11 - HN    GLU-  36  17.80 +/- 4.47   2.102% *  0.5598% (0.90   0.02   0.02) =   0.014%
          QG    GLU-  15 - HN    GLU-  36  12.74 +/- 3.02   3.236% *  0.2799% (0.45   0.02   0.02) =   0.011%
          QG    GLU-  14 - HN    GLU-  36  13.77 +/- 2.75   3.108% *  0.1927% (0.31   0.02   0.02) =   0.007%
          HB3   PHE   72 - HN    GLU-  36  13.17 +/- 2.22   2.450% *  0.1557% (0.25   0.02   0.02) =   0.005%
          HB2   ASP-  44 - HN    GLU-  36  18.99 +/- 1.22   0.702% *  0.2129% (0.34   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    GLU-  36  25.85 +/- 3.06   0.351% *  0.3534% (0.57   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    GLU-  36  23.06 +/- 3.34   0.394% *  0.3038% (0.49   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    GLU-  36  29.30 +/- 3.26   0.258% *  0.4038% (0.65   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  36  25.48 +/- 2.32   0.295% *  0.1235% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  29.67 +/- 3.94   0.228% *  0.1093% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.478, support = 0.02, residual support = 0.02:
          HB2   TRP   27 - HD22  ASN   35  15.27 +/- 2.30  43.319% * 42.5614% (0.57   0.02   0.02) =  62.649%  kept
          HA2   GLY  101 - HD22  ASN   35  14.72 +/- 6.47  47.437% * 14.8773% (0.20   0.02   0.02) =  23.981%  kept
          HD2   PRO   93 - HD22  ASN   35  28.76 +/- 4.03   9.244% * 42.5614% (0.57   0.02   0.02) =  13.370%  kept
    Distance limit 4.94 A violated in 19 structures by 6.50 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.57, residual support = 54.5:
      O   HB2   ASN   35 - HD22  ASN   35   3.79 +/- 0.36  84.181% * 98.1851% (0.76  10.0   3.57  54.62) =  99.832%  kept
          QE    LYS+  33 - HD22  ASN   35   9.19 +/- 1.56   9.303% *  1.4201% (0.76   1.0   0.29   5.21) =   0.160%  kept
          HB2   ASN   28 - HD22  ASN   35  12.51 +/- 2.29   3.797% *  0.1114% (0.87   1.0   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HD22  ASN   35  22.15 +/- 6.35   1.444% *  0.1273% (0.99   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HD22  ASN   35  22.19 +/- 3.25   0.585% *  0.1240% (0.96   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   35  26.92 +/- 5.57   0.690% *  0.0320% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.738, support = 1.6, residual support = 4.07:
          HA    GLN   32 - HD21  ASN   35   3.99 +/- 1.04  63.083% * 39.8993% (0.76   1.36   3.52) =  66.683%  kept
          HA    LYS+  33 - HD21  ASN   35   5.93 +/- 0.73  22.440% * 55.7029% (0.69   2.11   5.21) =  33.116%  kept
          HA    GLU-  29 - HD21  ASN   35   8.75 +/- 1.45   6.514% *  0.6435% (0.83   0.02   0.02) =   0.111%  kept
          HA    VAL   70 - HD21  ASN   35  14.64 +/- 2.77   4.682% *  0.2891% (0.38   0.02   0.02) =   0.036%
          HA    VAL   18 - HD21  ASN   35  17.01 +/- 2.52   1.118% *  0.6683% (0.87   0.02   0.02) =   0.020%
          HA    SER   48 - HD21  ASN   35  27.99 +/- 5.23   0.661% *  0.7435% (0.96   0.02   0.02) =   0.013%
          HB2   SER   82 - HD21  ASN   35  24.96 +/- 7.25   0.528% *  0.7112% (0.92   0.02   0.02) =   0.010%
          HA    ALA   88 - HD21  ASN   35  26.26 +/- 4.67   0.332% *  0.6169% (0.80   0.02   0.02) =   0.005%
          HD2   PRO   52 - HD21  ASN   35  30.12 +/- 4.69   0.318% *  0.4362% (0.57   0.02   0.02) =   0.004%
          HA    GLN  116 - HD21  ASN   35  27.58 +/- 4.02   0.324% *  0.2891% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.71 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 3.55, residual support = 54.1:
      O   HB2   ASN   35 - HD21  ASN   35   3.01 +/- 0.50  85.597% * 90.5703% (0.61  10.0   3.57  54.62) =  98.869%  kept
          QE    LYS+  33 - HD21  ASN   35   8.11 +/- 1.54   9.851% *  8.9424% (0.90   1.0   1.34   5.21) =   1.123%  kept
          HB2   ASN   28 - HD21  ASN   35  11.51 +/- 1.73   2.981% *  0.1441% (0.96   1.0   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HD21  ASN   35  21.86 +/- 5.98   0.665% *  0.1378% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD21  ASN   35  21.57 +/- 3.34   0.411% *  0.1493% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   35  26.39 +/- 4.95   0.496% *  0.0560% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.656, support = 4.3, residual support = 42.9:
      O   HA    GLN   32 - HN    GLN   32   2.73 +/- 0.05  59.029% * 75.6790% (0.65  10.0   4.34  44.64) =  94.910%  kept
          HA    LYS+  33 - HN    GLN   32   5.29 +/- 0.13   8.209% * 21.7284% (0.80   1.0   4.64  14.92) =   3.790%  kept
          HA    GLU-  29 - HN    GLN   32   3.44 +/- 0.21  30.247% *  2.0157% (0.92   1.0   0.37   0.02) =   1.295%  kept
          HA    VAL   18 - HN    GLN   32  13.63 +/- 1.55   0.554% *  0.1107% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   32  23.95 +/- 4.75   0.477% *  0.1049% (0.90   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN   32  13.80 +/- 2.35   0.736% *  0.0569% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLN   32  20.74 +/- 7.57   0.331% *  0.1147% (0.98   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    GLN   32  23.40 +/- 4.58   0.127% *  0.0804% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  26.53 +/- 4.42   0.179% *  0.0524% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  25.39 +/- 3.96   0.109% *  0.0569% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 6.12, residual support = 153.8:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.04  69.835% * 99.1594% (0.87  10.0   6.12 154.00) =  99.876%  kept
          HA    GLU-  29 - HN    LYS+  33   4.63 +/- 0.97  22.812% *  0.3574% (0.73   1.0   0.09   0.02) =   0.118%  kept
          HB2   SER   37 - HN    LYS+  33   8.17 +/- 1.14   3.556% *  0.0556% (0.49   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    LYS+  33  12.92 +/- 2.27   1.253% *  0.1143% (1.00   1.0   0.02   0.02) =   0.002%
          HA    VAL   18 - HN    LYS+  33  13.12 +/- 1.60   0.861% *  0.0785% (0.69   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    LYS+  33  14.82 +/- 3.24   0.906% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  22.06 +/- 6.73   0.291% *  0.0693% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  25.64 +/- 4.40   0.160% *  0.1143% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  24.63 +/- 4.48   0.327% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.361, support = 3.91, residual support = 23.9:
      O   HA    ASN   28 - HN    GLU-  29   3.64 +/- 0.01  31.912% * 73.5580% (0.18  10.0   5.05  32.92) =  71.804%  kept
          HA    THR   26 - HN    GLU-  29   3.19 +/- 0.10  47.380% * 16.4831% (0.95   1.0   0.83   0.89) =  23.889%  kept
          HA    GLU-  25 - HN    GLU-  29   4.70 +/- 0.39  15.891% *  8.8088% (0.22   1.0   1.88   0.02) =   4.282%  kept
          HA    ILE   19 - HN    GLU-  29  10.98 +/- 2.09   2.129% *  0.1727% (0.41   1.0   0.02   0.02) =   0.011%
          HA    ALA   34 - HN    GLU-  29  10.55 +/- 0.74   1.385% *  0.1296% (0.31   1.0   0.02   0.02) =   0.005%
          HA1   GLY  101 - HN    GLU-  29  17.53 +/- 5.76   0.799% *  0.2044% (0.49   1.0   0.02   0.02) =   0.005%
          HA    CYS   53 - HN    GLU-  29  24.16 +/- 3.97   0.298% *  0.2885% (0.69   1.0   0.02   0.02) =   0.003%
          HA    GLU- 114 - HN    GLU-  29  28.55 +/- 3.30   0.077% *  0.2717% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    GLU-  29  24.70 +/- 3.29   0.127% *  0.0831% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.92, residual support = 94.8:
      O   HB2   ASN   28 - HD22  ASN   28   3.22 +/- 0.24  89.018% * 99.6000% (0.95  10.0   3.92  94.83) =  99.989%  kept
          HB2   ASP-  86 - HD22  ASN   28  14.96 +/- 6.88   3.539% *  0.0996% (0.95   1.0   0.02   0.02) =   0.004%
          QE    LYS+  33 - HD22  ASN   28  10.32 +/- 1.24   3.114% *  0.0913% (0.87   1.0   0.02   0.02) =   0.003%
          QE    LYS+  65 - HD22  ASN   28  16.58 +/- 4.30   1.949% *  0.1051% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASN   35 - HD22  ASN   28  12.85 +/- 1.26   1.535% *  0.0681% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   28  17.16 +/- 2.99   0.845% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 4.0, residual support = 157.9:
      O   HG2   GLN   30 - HE21  GLN   30   3.97 +/- 0.23  90.039% * 96.0302% (0.61  10.0   4.01 158.42) =  99.650%  kept
          HB3   ASN   28 - HE21  GLN   30   9.68 +/- 1.35   7.685% *  3.9421% (0.84   1.0   0.60  19.60) =   0.349%  kept
          QE    LYS+ 121 - HE21  GLN   30  18.25 +/- 4.87   2.276% *  0.0277% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.14, residual support = 158.1:
      O   HG2   GLN   30 - HE22  GLN   30   3.29 +/- 0.45  93.102% * 96.0302% (0.61  10.0   4.15 158.42) =  99.768%  kept
          HB3   ASN   28 - HE22  GLN   30   8.88 +/- 1.13   5.255% *  3.9421% (0.84   1.0   0.60  19.60) =   0.231%  kept
          QE    LYS+ 121 - HE22  GLN   30  18.00 +/- 4.94   1.644% *  0.0277% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 4.56 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 = 3.56, residual support = 94.8:
      O   HB3   ASN   28 - HD22  ASN   28   3.37 +/- 0.14  87.188% * 99.7665% (0.90  10.0   3.56  94.83) =  99.987%  kept
          HG2   GLN   30 - HD22  ASN   28   7.92 +/- 0.59   7.074% *  0.1110% (1.00   1.0   0.02  19.60) =   0.009%
          QE    LYS+ 121 - HD22  ASN   28  19.98 +/- 5.51   3.553% *  0.0808% (0.73   1.0   0.02   0.02) =   0.003%
          HB3   HIS  122 - HD22  ASN   28  20.99 +/- 6.31   2.185% *  0.0418% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.964, support = 1.34, residual support = 14.4:
          QG2   VAL   24 - HD22  ASN   28   3.17 +/- 0.39  95.103% * 97.4522% (0.97   1.34  14.46) =  99.942%  kept
          HG    LEU   63 - HD22  ASN   28  16.48 +/- 4.50   3.456% *  1.3069% (0.87   0.02   0.19) =   0.049%
          HG3   LYS+ 112 - HD22  ASN   28  24.57 +/- 4.08   0.672% *  0.6755% (0.45   0.02   0.02) =   0.005%
          QG1   VAL  107 - HD22  ASN   28  18.00 +/- 2.36   0.769% *  0.5654% (0.38   0.02   0.02) =   0.005%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 6.13, residual support = 92.5:
      O   HA    GLU-  29 - HN    GLU-  29   2.75 +/- 0.03  88.442% * 99.3483% (0.84  10.0   6.13  92.52) =  99.992%  kept
          HA    LYS+  33 - HN    GLU-  29   9.01 +/- 0.81   2.682% *  0.1125% (0.95   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    GLU-  29  13.33 +/- 2.01   1.171% *  0.0952% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    GLU-  29   7.46 +/- 0.39   4.508% *  0.0184% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLU-  29  19.01 +/- 8.03   0.946% *  0.0864% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLU-  29  15.88 +/- 2.11   0.576% *  0.1166% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLU-  29  13.75 +/- 1.54   0.798% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  22.80 +/- 4.75   0.514% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  25.81 +/- 4.09   0.156% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  23.21 +/- 4.93   0.207% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 6.27, residual support = 32.9:
          HB2   ASN   28 - HN    GLU-  29   2.36 +/- 0.18  90.805% * 98.7594% (0.97   6.27  32.92) =  99.970%  kept
          QE    LYS+  33 - HN    GLU-  29   7.71 +/- 1.56   4.540% *  0.2927% (0.90   0.02   0.02) =   0.015%
          QE    LYS+  65 - HN    GLU-  29  17.47 +/- 4.56   3.174% *  0.3263% (1.00   0.02   0.02) =   0.012%
          HB2   ASN   35 - HN    GLU-  29  11.66 +/- 0.75   0.831% *  0.1979% (0.61   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    GLU-  29  18.26 +/- 6.26   0.398% *  0.3012% (0.92   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    GLU-  29  19.73 +/- 2.92   0.253% *  0.1225% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.688, support = 5.61, residual support = 31.7:
          HB3   ASN   28 - HN    GLU-  29   3.36 +/- 0.19  80.546% * 47.1526% (0.65   5.80  32.92) =  81.472%  kept
          HG2   GLN   30 - HN    GLU-  29   5.80 +/- 0.42  16.457% * 52.4469% (0.87   4.81  26.39) =  18.515%  kept
          HB3   HIS  122 - HN    GLU-  29  22.17 +/- 6.53   1.800% *  0.1627% (0.65   0.02   0.02) =   0.006%
          QE    LYS+ 121 - HN    GLU-  29  21.30 +/- 5.60   1.197% *  0.2379% (0.95   0.02   0.02) =   0.006%
    Distance limit 4.13 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 = 5.39, residual support = 92.4:
          HG2   GLU-  29 - HN    GLU-  29   3.01 +/- 0.51  86.221% * 97.1718% (0.57   5.39  92.52) =  99.881%  kept
          QG    GLN   32 - HN    GLU-  29   6.86 +/- 0.78  11.717% *  0.7727% (0.28   0.09   0.02) =   0.108%  kept
          HB3   PHE   45 - HN    GLU-  29  19.29 +/- 2.43   0.436% *  0.6310% (0.99   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    GLU-  29  23.43 +/- 4.47   0.404% *  0.6310% (0.99   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HN    GLU-  29  18.26 +/- 6.75   0.927% *  0.2617% (0.41   0.02   0.02) =   0.003%
          HB    VAL  107 - HN    GLU-  29  22.54 +/- 1.69   0.295% *  0.5318% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.583, support = 5.4, residual support = 15.6:
          HA    ASN   28 - HN    GLN   30   3.91 +/- 0.12  37.361% * 66.2056% (0.45   6.85  19.60) =  72.960%  kept
          HA    THR   26 - HN    GLN   30   4.31 +/- 0.37  28.726% * 31.3246% (0.97   1.51   4.89) =  26.542%  kept
          HA1   GLY  101 - HN    LYS+  99   5.39 +/- 0.80  16.502% *  0.8870% (0.05   0.75   1.40) =   0.432%  kept
          HA    ALA   34 - HN    GLN   30   8.32 +/- 0.89   4.196% *  0.2788% (0.65   0.02   1.56) =   0.035%
          HA1   GLY  101 - HN    GLN   30  16.47 +/- 5.13   1.228% *  0.3600% (0.84   0.02   0.02) =   0.013%
          HA    ILE   19 - HN    GLN   30   9.14 +/- 1.69   5.577% *  0.0665% (0.15   0.02  14.81) =   0.011%
          HA    CYS   53 - HN    GLN   30  22.84 +/- 3.45   0.453% *  0.1470% (0.34   0.02   0.02) =   0.002%
          HA    GLU- 114 - HN    GLN   30  27.10 +/- 3.28   0.144% *  0.4077% (0.95   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    GLN   30  23.14 +/- 3.20   0.250% *  0.2098% (0.49   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    LYS+  99  14.05 +/- 4.68   1.877% *  0.0183% (0.04   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+  99  15.86 +/- 3.94   1.124% *  0.0127% (0.03   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  19.78 +/- 4.05   0.510% *  0.0273% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  20.59 +/- 2.39   0.290% *  0.0268% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  17.91 +/- 2.36   0.448% *  0.0138% (0.03   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.24 +/- 3.73   1.074% *  0.0044% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  21.96 +/- 2.08   0.240% *  0.0097% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 6.48, residual support = 26.3:
      O   HA    GLU-  29 - HN    GLN   30   3.51 +/- 0.02  63.914% * 98.3460% (1.00  10.0   6.49  26.39) =  99.832%  kept
          HA    GLN   32 - HN    GLN   30   6.74 +/- 0.21   9.098% *  1.0254% (0.38   1.0   0.55   1.78) =   0.148%  kept
          HA    LYS+  33 - HN    GLN   30   7.61 +/- 0.54   6.576% *  0.0966% (0.98   1.0   0.02   0.48) =   0.010%
          HA    VAL   18 - HN    GLN   30  11.26 +/- 1.68   2.711% *  0.0977% (0.99   1.0   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    GLN   30  13.61 +/- 1.81   1.350% *  0.0753% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   30  19.13 +/- 7.21   1.027% *  0.0951% (0.97   1.0   0.02   0.02) =   0.002%
          HA    SER   48 - HN    GLN   30  21.84 +/- 4.42   0.764% *  0.0638% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   30  11.66 +/- 1.73   2.152% *  0.0152% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    GLN   30  24.20 +/- 4.00   0.303% *  0.0753% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  22.68 +/- 4.08   0.307% *  0.0405% (0.41   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  13.82 +/- 4.69   2.053% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  17.14 +/- 3.93   1.212% *  0.0064% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  24.64 +/- 4.11   0.335% *  0.0219% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  16.97 +/- 4.27   0.932% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  18.14 +/- 3.79   0.676% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  17.69 +/- 2.88   1.375% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  19.88 +/- 3.51   0.563% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  15.82 +/- 4.50   1.403% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  15.13 +/- 5.72   2.103% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  20.19 +/- 2.49   0.385% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  23.23 +/- 3.75   0.343% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  24.29 +/- 3.50   0.419% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 158.4:
      O   HA    GLN   30 - HN    GLN   30   2.81 +/- 0.02  86.326% * 99.5516% (0.92  10.0   6.41 158.42) =  99.996%  kept
          QB    SER   13 - HN    GLN   30  13.88 +/- 3.49   1.831% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLN   30  11.47 +/- 2.41   1.870% *  0.0483% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   30  18.84 +/- 6.92   0.725% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   30  11.71 +/- 1.88   1.638% *  0.0333% (0.31   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLN   30  22.64 +/- 3.46   0.520% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  25.75 +/- 4.55   0.201% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  21.56 +/- 2.72   0.221% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  13.58 +/- 5.06   1.435% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  20.87 +/- 5.97   1.259% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  15.97 +/- 5.65   1.812% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  16.56 +/- 3.11   0.564% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  19.70 +/- 3.64   0.471% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  25.43 +/- 4.01   0.315% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  16.79 +/- 2.12   0.598% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  22.52 +/- 2.68   0.214% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.98, support = 6.91, residual support = 133.8:
          HG2   GLN   30 - HN    GLN   30   3.57 +/- 0.30  63.600% * 62.8423% (1.00   7.36 158.42) =  82.264%  kept
          HB3   ASN   28 - HN    GLN   30   5.06 +/- 0.13  23.313% * 36.9357% (0.90   4.82  19.60) =  17.723%  kept
          HB3   HIS  122 - HN    GLN   30  20.35 +/- 6.54   5.156% *  0.0642% (0.38   0.02   0.02) =   0.007%
          QE    LYS+ 121 - HN    GLN   30  19.80 +/- 5.50   2.090% *  0.1242% (0.73   0.02   0.02) =   0.005%
          QE    LYS+ 121 - HN    LYS+  99  13.11 +/- 5.78   3.031% *  0.0082% (0.05   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    LYS+  99  17.54 +/- 4.27   1.003% *  0.0101% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  17.02 +/- 3.02   0.727% *  0.0112% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  17.15 +/- 5.99   1.079% *  0.0042% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.95, residual support = 158.4:
      O   HB3   GLN   30 - HN    GLN   30   2.44 +/- 0.48  73.398% * 98.7410% (0.69  10.0   6.95 158.42) =  99.983%  kept
          QB    LYS+  33 - HN    GLN   30   5.76 +/- 0.90   8.573% *  0.1044% (0.73   1.0   0.02   0.48) =   0.012%
          HB3   LYS+  38 - HN    GLN   30  14.04 +/- 1.59   0.508% *  0.1247% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   30  18.74 +/- 4.84   0.427% *  0.1247% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   30  18.47 +/- 2.14   0.290% *  0.1289% (0.90   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  99   6.19 +/- 0.48   6.494% *  0.0050% (0.03   1.0   0.02   0.53) =   0.000%
          HB    ILE  103 - HN    GLN   30  19.34 +/- 3.87   0.284% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  18.66 +/- 3.28   0.306% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  21.93 +/- 3.26   0.138% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  24.50 +/- 3.47   0.145% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.88 +/- 2.87   0.191% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.41 +/- 0.49   1.896% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.78 +/- 1.20   2.374% *  0.0057% (0.04   1.0   0.02   0.39) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.00 +/- 3.96   0.129% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99  14.83 +/- 5.63   1.148% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  21.48 +/- 4.41   0.183% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  24.40 +/- 2.20   0.101% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  15.47 +/- 3.12   0.705% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  15.16 +/- 3.71   0.659% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  18.21 +/- 5.50   0.751% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  20.36 +/- 3.26   0.314% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  19.34 +/- 3.30   0.223% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.56 +/- 2.26   0.186% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  21.31 +/- 4.17   0.328% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  25.63 +/- 3.41   0.125% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  22.20 +/- 1.83   0.125% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 5.62, residual support = 49.1:
          HG    LEU   31 - HN    GLN   30   4.38 +/- 0.65  39.072% * 89.4828% (0.80   5.86  51.14) =  95.510%  kept
          QD2   LEU   73 - HN    GLN   30   6.69 +/- 1.95  16.709% *  9.7372% (0.92   0.55   5.34) =   4.445%  kept
          QG1   VAL   41 - HN    GLN   30   8.39 +/- 2.55   9.861% *  0.0951% (0.25   0.02   0.02) =   0.026%
          QD1   ILE   56 - HN    GLN   30  18.31 +/- 2.67   0.759% *  0.3805% (1.00   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    LYS+  99   7.79 +/- 3.96  23.856% *  0.0062% (0.02   0.02   0.02) =   0.004%
          HG3   LYS+ 121 - HN    GLN   30  22.71 +/- 5.73   0.445% *  0.2159% (0.57   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LYS+  99  11.69 +/- 2.69   3.635% *  0.0231% (0.06   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LYS+  99  13.64 +/- 3.74   2.552% *  0.0201% (0.05   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LYS+  99  14.78 +/- 7.12   2.369% *  0.0142% (0.04   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  99  17.29 +/- 1.85   0.742% *  0.0250% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.725, support = 1.99, residual support = 4.87:
          QG2   THR   26 - HN    GLN   30   3.94 +/- 0.17  56.856% * 94.2903% (0.73   2.00   4.89) =  99.711%  kept
          HG2   LYS+  65 - HN    GLN   30  16.70 +/- 4.11   7.961% *  0.8400% (0.65   0.02   0.02) =   0.124%  kept
          HB2   LYS+  74 - HN    GLN   30  11.83 +/- 1.89   2.746% *  1.2283% (0.95   0.02   0.02) =   0.063%
          HB3   LEU   40 - HN    GLN   30  13.55 +/- 2.19   2.276% *  0.9429% (0.73   0.02   0.02) =   0.040%
          HD2   LYS+ 121 - HN    GLN   30  22.22 +/- 5.55   1.038% *  0.7352% (0.57   0.02   0.02) =   0.014%
          HB3   LEU   40 - HN    LYS+  99  10.50 +/- 5.79  10.294% *  0.0619% (0.05   0.02   9.29) =   0.012%
          QB    ALA  120 - HN    GLN   30  21.68 +/- 4.53   0.878% *  0.6320% (0.49   0.02   0.02) =   0.010%
          QD    LYS+  66 - HN    GLN   30  17.33 +/- 4.00   1.834% *  0.2891% (0.22   0.02   0.02) =   0.010%
          HG    LEU  115 - HN    GLN   30  23.45 +/- 3.50   0.377% *  0.6320% (0.49   0.02   0.02) =   0.004%
          HB2   LYS+  74 - HN    LYS+  99  17.39 +/- 3.13   1.888% *  0.0807% (0.06   0.02   0.02) =   0.003%
          QD    LYS+  66 - HN    LYS+  99  17.39 +/- 4.72   7.588% *  0.0190% (0.01   0.02   0.02) =   0.003%
          QG2   THR   26 - HN    LYS+  99  16.19 +/- 3.21   1.891% *  0.0619% (0.05   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HN    LYS+  99  15.32 +/- 6.39   2.047% *  0.0483% (0.04   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LYS+  99  16.76 +/- 4.11   1.159% *  0.0415% (0.03   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    LYS+  99  19.78 +/- 2.93   0.641% *  0.0552% (0.04   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  99  19.65 +/- 1.92   0.526% *  0.0415% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.393, support = 6.43, residual support = 158.3:
      O   HB2   GLN   30 - HN    GLN   30   2.99 +/- 0.60  52.289% * 86.3610% (0.41  10.0   6.43 158.42) =  92.609%  kept
          HG3   GLN   30 - HN    GLN   30   3.97 +/- 0.59  29.735% * 11.8979% (0.18   1.0   6.47 158.42) =   7.255%  kept
          HB3   GLU- 100 - HN    LYS+  99   5.93 +/- 0.72  10.114% *  0.6006% (0.02   1.0   2.55  39.71) =   0.125%  kept
          HB2   GLU-  14 - HN    GLN   30  14.26 +/- 3.46   2.108% *  0.1105% (0.53   1.0   0.02   0.02) =   0.005%
          HB2   ARG+  54 - HN    GLN   30  25.15 +/- 4.39   0.487% *  0.1525% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    GLN   30  17.81 +/- 4.32   0.591% *  0.0717% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    GLN   30  21.29 +/- 2.26   0.208% *  0.2027% (0.97   1.0   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    GLN   30  21.02 +/- 4.29   0.279% *  0.1189% (0.57   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLN   30  23.38 +/- 4.58   0.347% *  0.0864% (0.41   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLN   30  22.24 +/- 3.99   0.237% *  0.0942% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  23.93 +/- 2.19   0.120% *  0.1359% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  25.69 +/- 4.91   0.171% *  0.0942% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  18.98 +/- 1.84   0.359% *  0.0133% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  20.71 +/- 6.12   0.500% *  0.0073% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.60 +/- 0.49   0.404% *  0.0089% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  15.40 +/- 2.76   0.577% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  29.19 +/- 7.61   0.297% *  0.0078% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  19.49 +/- 3.73   0.263% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  21.18 +/- 3.62   0.236% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  25.37 +/- 3.38   0.117% *  0.0100% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  16.59 +/- 2.90   0.411% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  24.76 +/- 4.01   0.148% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.93, support = 5.66, residual support = 26.4:
          HB3   GLU-  29 - HN    GLN   30   3.90 +/- 0.14  56.624% * 43.0167% (0.90   5.24  26.39) =  59.707%  kept
          HG3   GLU-  29 - HN    GLN   30   4.94 +/- 0.37  29.116% * 56.4280% (0.98   6.29  26.39) =  40.273%  kept
          QB    GLU-  36 - HN    GLN   30   9.78 +/- 1.03   3.844% *  0.1110% (0.61   0.02   0.02) =   0.010%
          HB2   LYS+  38 - HN    GLN   30  13.82 +/- 1.32   1.426% *  0.1110% (0.61   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    GLN   30  16.41 +/- 4.21   1.176% *  0.0963% (0.53   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    GLN   30  25.06 +/- 3.39   0.247% *  0.1814% (0.99   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LYS+  99  15.84 +/- 4.84   3.036% *  0.0073% (0.04   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LYS+  99  15.75 +/- 5.48   1.614% *  0.0073% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  21.30 +/- 3.17   0.963% *  0.0119% (0.07   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  20.39 +/- 4.03   0.538% *  0.0118% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  19.41 +/- 3.54   0.572% *  0.0108% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  19.12 +/- 3.96   0.844% *  0.0063% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.43, residual support = 92.5:
      O   HB2   GLU-  29 - HN    GLU-  29   2.36 +/- 0.28  98.119% * 99.4303% (0.76  10.0   5.43  92.52) =  99.998%  kept
          HB3   ASP-  76 - HN    GLU-  29  16.51 +/- 2.83   0.445% *  0.1129% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    GLU-  29  18.58 +/- 4.27   0.434% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  22.28 +/- 2.81   0.172% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  17.60 +/- 2.78   0.354% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  25.85 +/- 2.78   0.096% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  23.45 +/- 4.19   0.171% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  21.93 +/- 3.52   0.209% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.782, support = 5.54, residual support = 92.3:
      O   HB3   GLU-  29 - HN    GLU-  29   3.47 +/- 0.18  34.935% * 66.8884% (0.65  10.0   4.93  92.52) =  56.911%  kept
          HG3   GLU-  29 - HN    GLU-  29   2.95 +/- 0.21  55.402% * 31.7842% (0.97   1.0   6.37  92.52) =  42.887%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.85 +/- 0.40   7.509% *  1.0874% (0.14   1.0   1.55   0.02) =   0.199%  kept
          HB2   LYS+  38 - HN    GLU-  29  15.56 +/- 1.55   0.462% *  0.0897% (0.87   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  11.07 +/- 1.18   1.131% *  0.0353% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLU-  29  17.03 +/- 4.45   0.455% *  0.0287% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  25.76 +/- 4.12   0.106% *  0.0864% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.969, support = 3.25, residual support = 158.4:
      O   HG3   GLN   30 - HE21  GLN   30   3.78 +/- 0.35  46.811% * 85.8474% (0.99  10.0   3.16 158.42) =  88.176%  kept
          HB2   GLN   30 - HE21  GLN   30   4.08 +/- 0.66  39.398% * 13.6624% (0.80   1.0   3.94 158.42) =  11.811%  kept
          HB2   GLN   17 - HE21  GLN   30  10.13 +/- 1.81   4.617% *  0.0422% (0.49   1.0   0.02   0.02) =   0.004%
          QB    GLU-  15 - HE21  GLN   30  10.96 +/- 2.15   3.045% *  0.0422% (0.49   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HE21  GLN   30  11.62 +/- 2.26   2.844% *  0.0267% (0.31   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HE21  GLN   30  17.49 +/- 4.39   0.779% *  0.0751% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HE21  GLN   30  15.81 +/- 2.33   0.767% *  0.0751% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HE21  GLN   30  21.02 +/- 4.39   0.598% *  0.0694% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HE21  GLN   30  22.85 +/- 3.55   0.276% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  22.80 +/- 2.18   0.225% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  26.39 +/- 3.50   0.194% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  19.49 +/- 2.58   0.445% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (0.72, 7.18, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.334, support = 2.11, residual support = 14.8:
          QD1   ILE   19 - HE21  GLN   30   3.83 +/- 1.00  43.547% * 69.1163% (0.41   2.13  14.81) =  67.269%  kept
          QG2   ILE   19 - HE21  GLN   30   3.40 +/- 0.93  51.517% * 28.3358% (0.18   2.05  14.81) =  32.626%  kept
          QD1   LEU   98 - HE21  GLN   30  12.41 +/- 3.30   2.151% *  1.4128% (0.90   0.02   0.02) =   0.068%
          QD2   LEU  104 - HE21  GLN   30  13.97 +/- 3.06   1.536% *  0.8919% (0.57   0.02   0.02) =   0.031%
          QG2   THR   46 - HE21  GLN   30  13.67 +/- 1.94   1.250% *  0.2431% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.71 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 = 0.321, support = 2.16, residual support = 14.8:
          QD1   ILE   19 - HE22  GLN   30   4.05 +/- 0.85  40.328% * 67.0983% (0.41   2.11  14.81) =  61.945%  kept
          QG2   ILE   19 - HE22  GLN   30   3.46 +/- 0.52  54.514% * 30.4025% (0.18   2.25  14.81) =  37.941%  kept
          QD1   LEU   98 - HE22  GLN   30  11.96 +/- 3.13   2.397% *  1.3859% (0.90   0.02   0.02) =   0.076%
          QD2   LEU  104 - HE22  GLN   30  13.66 +/- 2.99   1.555% *  0.8749% (0.57   0.02   0.02) =   0.031%
          QG2   THR   46 - HE22  GLN   30  13.40 +/- 1.67   1.206% *  0.2384% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.86 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 = 5.93, residual support = 44.5:
      O   HA    LEU   31 - HN    GLN   32   3.59 +/- 0.05  98.550% * 99.9819% (0.97  10.0   5.93  44.45) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  19.33 +/- 4.20   1.450% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 4.35, residual support = 44.6:
          QG    GLN   32 - HN    GLN   32   3.70 +/- 0.39  86.381% * 98.8905% (0.99   4.35  44.64) =  99.977%  kept
          HB2   GLU- 100 - HN    GLN   32  16.00 +/- 4.94   9.784% *  0.1020% (0.22   0.02   0.02) =   0.012%
          QG    GLU-  79 - HN    GLN   32  16.97 +/- 3.89   1.779% *  0.3670% (0.80   0.02   0.02) =   0.008%
          HB    VAL  107 - HN    GLN   32  21.71 +/- 2.05   0.473% *  0.3148% (0.69   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    GLN   32  19.54 +/- 2.40   0.741% *  0.1274% (0.28   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    GLN   32  23.58 +/- 3.91   0.586% *  0.1274% (0.28   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLN   32  27.46 +/- 3.80   0.255% *  0.0707% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.4, residual support = 44.6:
      O   QB    GLN   32 - HN    GLN   32   2.13 +/- 0.07  98.046% * 99.6924% (0.90  10.0   4.40  44.64) =  99.998%  kept
          HG3   GLU- 100 - HN    GLN   32  15.77 +/- 4.70   0.953% *  0.1090% (0.98   1.0   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    GLN   32  12.02 +/- 0.57   0.559% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLN   32  19.27 +/- 3.31   0.216% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  18.90 +/- 4.25   0.226% *  0.0172% (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 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.768, support = 2.92, residual support = 5.45:
          HB3   GLN   30 - HN    GLN   32   5.26 +/- 0.26  39.965% * 73.7871% (0.99   2.51   1.78) =  71.931%  kept
          QB    LYS+  33 - HN    GLN   32   4.88 +/- 0.33  48.898% * 23.4369% (0.20   3.99  14.92) =  27.954%  kept
          HB3   LYS+  38 - HN    GLN   32  11.69 +/- 1.53   6.181% *  0.5330% (0.90   0.02   0.02) =   0.080%
          HB3   PRO   58 - HN    GLN   32  23.24 +/- 4.22   0.642% *  0.5330% (0.90   0.02   0.02) =   0.008%
          HB    ILE   56 - HN    GLN   32  23.68 +/- 2.92   0.538% *  0.4542% (0.76   0.02   0.02) =   0.006%
          HB2   MET   92 - HN    GLN   32  25.98 +/- 2.74   0.382% *  0.5891% (0.99   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    GLN   32  18.63 +/- 2.62   1.039% *  0.2027% (0.34   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    GLN   32  20.54 +/- 5.11   1.093% *  0.1834% (0.31   0.02   0.02) =   0.005%
          HG3   MET   11 - HN    GLN   32  22.33 +/- 4.90   0.856% *  0.1323% (0.22   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    GLN   32  25.67 +/- 3.65   0.405% *  0.1482% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.51 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 = 5.93, residual support = 44.4:
          HB2   LEU   31 - HN    GLN   32   2.77 +/- 0.27  89.727% * 97.3720% (0.98   5.93  44.45) =  99.972%  kept
          QB    ALA  124 - HN    GLN   32  22.67 +/- 7.32   2.357% *  0.2562% (0.76   0.02   0.02) =   0.007%
          HG2   LYS+  38 - HN    GLN   32  10.87 +/- 1.61   2.610% *  0.2033% (0.61   0.02   0.02) =   0.006%
          HG2   LYS+  99 - HN    GLN   32  15.50 +/- 4.06   1.204% *  0.2434% (0.73   0.02   0.02) =   0.003%
          HB2   LEU   63 - HN    GLN   32  17.87 +/- 3.60   0.853% *  0.3235% (0.97   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    GLN   32  14.39 +/- 3.82   1.098% *  0.2168% (0.65   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    GLN   32  18.60 +/- 6.64   0.690% *  0.3344% (1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    GLN   32  17.08 +/- 1.76   0.424% *  0.3006% (0.90   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLN   32  18.09 +/- 3.82   0.441% *  0.1764% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    GLN   32  22.75 +/- 2.79   0.191% *  0.1632% (0.49   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  19.81 +/- 3.61   0.320% *  0.0932% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  29.78 +/- 3.51   0.085% *  0.3171% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 44.4:
          HB3   LEU   31 - HN    GLN   32   3.92 +/- 0.21  86.865% * 98.9130% (0.98   5.93  44.45) =  99.974%  kept
          QG1   VAL   24 - HN    GLN   32  10.37 +/- 0.51   4.893% *  0.1928% (0.57   0.02   0.02) =   0.011%
          QB    ALA   20 - HN    GLN   32  12.01 +/- 1.11   3.468% *  0.1792% (0.53   0.02   0.02) =   0.007%
          HG13  ILE  119 - HN    GLN   32  23.04 +/- 4.27   1.015% *  0.3287% (0.97   0.02   0.02) =   0.004%
          HG2   LYS+ 121 - HN    GLN   32  23.06 +/- 6.97   2.489% *  0.0674% (0.20   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    GLN   32  27.15 +/- 3.87   0.361% *  0.2339% (0.69   0.02   0.02) =   0.001%
          QG1   VAL  107 - HN    GLN   32  19.28 +/- 2.09   0.909% *  0.0849% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.38, residual support = 14.9:
          QG    GLN   32 - HN    LYS+  33   4.25 +/- 0.17  95.301% * 98.6521% (0.84   4.38  14.92) =  99.984%  kept
          QG    GLU-  79 - HN    LYS+  33  17.74 +/- 3.52   2.077% *  0.2835% (0.53   0.02   0.02) =   0.006%
          HB    VAL  107 - HN    LYS+  33  22.23 +/- 2.14   0.808% *  0.4974% (0.92   0.02   0.02) =   0.004%
          HB3   PHE   45 - HN    LYS+  33  20.31 +/- 1.55   0.929% *  0.2835% (0.53   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    LYS+  33  24.02 +/- 4.05   0.886% *  0.2835% (0.53   0.02   0.02) =   0.003%
    Distance limit 4.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 14.9:
          QB    GLN   32 - HN    LYS+  33   2.78 +/- 0.18  95.157% * 98.5891% (1.00   4.56  14.92) =  99.986%  kept
          HG3   GLU- 100 - HN    LYS+  33  15.62 +/- 5.22   1.882% *  0.3460% (0.80   0.02   0.02) =   0.007%
          HB    VAL   24 - HN    LYS+  33  13.78 +/- 0.39   0.796% *  0.4283% (0.99   0.02   0.02) =   0.004%
          HB2   PRO   68 - HN    LYS+  33  18.27 +/- 3.32   0.565% *  0.3989% (0.92   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    LYS+  33  14.30 +/- 3.14   1.230% *  0.0667% (0.15   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    LYS+  33  24.23 +/- 3.85   0.219% *  0.0855% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  28.09 +/- 4.69   0.151% *  0.0855% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 6.09, residual support = 153.8:
      O   QB    LYS+  33 - HN    LYS+  33   2.46 +/- 0.23  86.852% * 97.9202% (0.97  10.0   6.10 154.00) =  99.880%  kept
          HB3   GLN   30 - HN    LYS+  33   5.58 +/- 0.24   8.082% *  1.2300% (0.38   1.0   0.65   0.48) =   0.117%  kept
          HB3   LYS+  38 - HN    LYS+  33  10.52 +/- 1.48   2.687% *  0.0574% (0.57   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    LYS+  33  18.48 +/- 3.26   0.368% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  21.53 +/- 4.56   0.261% *  0.1015% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  20.12 +/- 3.12   0.274% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  19.26 +/- 2.24   0.222% *  0.1012% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  19.36 +/- 3.53   0.234% *  0.0848% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  24.00 +/- 3.02   0.118% *  0.0737% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  26.69 +/- 2.61   0.079% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  27.63 +/- 3.76   0.089% *  0.0880% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  24.74 +/- 6.94   0.415% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  23.38 +/- 4.30   0.167% *  0.0137% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.81 +/- 2.26   0.074% *  0.0253% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  28.03 +/- 4.19   0.079% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 4.62, residual support = 154.0:
          HG2   LYS+  33 - HN    LYS+  33   3.25 +/- 0.45  98.837% * 98.6705% (0.61   4.62 154.00) =  99.992%  kept
          QG    LYS+  81 - HN    LYS+  33  21.87 +/- 4.70   0.738% *  0.6500% (0.92   0.02   0.02) =   0.005%
          HG2   LYS+ 106 - HN    LYS+  33  21.23 +/- 2.72   0.425% *  0.6795% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.369, support = 5.65, residual support = 147.0:
          HG3   LYS+  33 - HN    LYS+  33   2.41 +/- 0.65  76.362% * 74.8298% (0.38   5.82 154.00) =  95.444%  kept
          HB2   LEU   31 - HN    LYS+  33   5.01 +/- 0.16  13.947% * 19.2702% (0.25   2.26   0.93) =   4.489%  kept
          QB    ALA  124 - HN    LYS+  33  22.35 +/- 7.51   2.428% *  0.5237% (0.76   0.02   0.02) =   0.021%
          HG3   LYS+  65 - HN    LYS+  33  19.06 +/- 3.85   1.627% *  0.3072% (0.45   0.02   0.02) =   0.008%
          HB3   LEU   73 - HN    LYS+  33  11.25 +/- 1.46   1.381% *  0.3606% (0.53   0.02   0.02) =   0.008%
          HG    LEU   98 - HN    LYS+  33  15.07 +/- 3.50   0.579% *  0.5945% (0.87   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - HN    LYS+  33  19.27 +/- 4.81   0.861% *  0.3880% (0.57   0.02   0.02) =   0.006%
          HB    VAL   42 - HN    LYS+  33  13.05 +/- 1.35   0.968% *  0.3072% (0.45   0.02   0.02) =   0.005%
          QB    ALA   84 - HN    LYS+  33  19.03 +/- 3.10   0.242% *  0.6483% (0.95   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    LYS+  33  17.41 +/- 1.30   0.357% *  0.4157% (0.61   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    LYS+  33  17.87 +/- 3.47   0.344% *  0.3336% (0.49   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    LYS+  33  20.60 +/- 2.65   0.219% *  0.5237% (0.76   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    LYS+  33  23.37 +/- 2.46   0.172% *  0.6614% (0.97   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    LYS+  33  19.68 +/- 6.13   0.323% *  0.2572% (0.38   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LYS+  33  27.97 +/- 4.09   0.117% *  0.4433% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  33  30.51 +/- 3.62   0.072% *  0.1356% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.802, residual support = 0.927:
          QD2   LEU   31 - HN    LYS+  33   5.16 +/- 0.18  91.837% * 93.0715% (0.65   0.80   0.93) =  99.668%  kept
          QG2   VAL   83 - HN    LYS+  33  15.60 +/- 4.02   5.292% *  3.5451% (0.99   0.02   0.02) =   0.219%  kept
          QD1   ILE   89 - HN    LYS+  33  16.93 +/- 1.77   2.872% *  3.3834% (0.95   0.02   0.02) =   0.113%  kept
    Distance limit 4.71 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 = 0.879, support = 3.15, residual support = 4.91:
          HA    LYS+  33 - HN    ASN   35   3.50 +/- 0.14  45.811% * 75.6416% (0.98   3.35   5.21) =  83.605%  kept
          HA    GLN   32 - HN    ASN   35   3.87 +/- 0.25  34.549% * 18.8491% (0.38   2.18   3.52) =  15.712%  kept
          HB2   SER   37 - HN    ASN   35   6.35 +/- 0.67   8.358% *  2.8542% (0.15   0.80   0.02) =   0.576%  kept
          HA    VAL   70 - HN    ASN   35  11.99 +/- 2.50   5.482% *  0.3521% (0.76   0.02   0.02) =   0.047%
          HA    GLU-  29 - HN    ASN   35   7.94 +/- 0.49   4.052% *  0.4597% (1.00   0.02   0.02) =   0.045%
          HA    VAL   18 - HN    ASN   35  14.48 +/- 1.82   0.835% *  0.4566% (0.99   0.02   0.02) =   0.009%
          HB2   SER   82 - HN    ASN   35  23.76 +/- 6.27   0.257% *  0.4446% (0.97   0.02   0.02) =   0.003%
          HA    SER   48 - HN    ASN   35  25.99 +/- 4.50   0.241% *  0.2980% (0.65   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    ASN   35  25.94 +/- 3.97   0.146% *  0.3521% (0.76   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    ASN   35  25.30 +/- 3.47   0.144% *  0.1894% (0.41   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ASN   35  28.23 +/- 3.85   0.126% *  0.1026% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.964, support = 3.96, residual support = 51.7:
          HA    GLU-  36 - HN    ASN   35   4.97 +/- 0.11  76.855% * 98.5265% (0.97   3.96  51.76) =  99.928%  kept
          HA    ALA  124 - HN    ASN   35  25.62 +/- 9.41   8.133% *  0.4128% (0.80   0.02   0.02) =   0.044%
          HA    ASN   28 - HN    ASN   35   9.31 +/- 0.64  12.498% *  0.1020% (0.20   0.02   0.02) =   0.017%
          HA    LYS+  81 - HN    ASN   35  24.39 +/- 4.31   0.985% *  0.5143% (1.00   0.02   0.02) =   0.007%
          HA    ARG+  54 - HN    ASN   35  27.11 +/- 3.81   0.759% *  0.3541% (0.69   0.02   0.02) =   0.004%
          HA    LEU  115 - HN    ASN   35  24.87 +/- 3.36   0.770% *  0.0903% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.81 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.366, support = 5.54, residual support = 50.5:
      O   HB2   ASN   35 - HN    ASN   35   3.06 +/- 0.45  76.899% * 71.1208% (0.31  10.0   5.82  54.62) =  91.727%  kept
          QE    LYS+  33 - HN    ASN   35   5.77 +/- 0.96  17.556% * 28.0518% (1.00   1.0   2.44   5.21) =   8.260%  kept
          HB2   ASN   28 - HN    ASN   35  10.97 +/- 0.63   2.022% *  0.2224% (0.97   1.0   0.02   0.02) =   0.008%
          HB2   ASP-  78 - HN    ASN   35  24.52 +/- 3.96   0.597% *  0.1583% (0.69   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ASN   35  19.41 +/- 2.94   0.453% *  0.1999% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASN   35  20.86 +/- 4.94   0.465% *  0.1491% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ASN   35  15.70 +/- 3.22   1.384% *  0.0404% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HN    ASN   35  20.45 +/- 2.89   0.624% *  0.0575% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 3.24 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 = 3.45, residual support = 21.2:
          QB    ALA   34 - HN    ASN   35   3.01 +/- 0.08  79.783% * 98.0750% (0.92   3.45  21.26) =  99.935%  kept
          HG3   LYS+  38 - HN    ASN   35   7.26 +/- 0.93   7.314% *  0.3487% (0.57   0.02   0.02) =   0.033%
          QG2   THR   39 - HN    ASN   35   7.15 +/- 1.15   7.861% *  0.1901% (0.31   0.02   0.02) =   0.019%
          QG2   THR   77 - HN    ASN   35  18.38 +/- 3.82   3.952% *  0.1219% (0.20   0.02   0.02) =   0.006%
          QG2   THR   23 - HN    ASN   35  15.16 +/- 0.77   0.638% *  0.6036% (0.98   0.02   0.02) =   0.005%
          QG2   ILE   56 - HN    ASN   35  21.04 +/- 2.55   0.268% *  0.4706% (0.76   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    ASN   35  23.46 +/- 1.84   0.183% *  0.1901% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 3.88, residual support = 94.8:
      O   HB2   ASN   28 - HD21  ASN   28   3.92 +/- 0.11  81.651% * 99.6076% (0.97  10.0   3.88  94.83) =  99.980%  kept
          HB2   ASP-  86 - HD21  ASN   28  14.53 +/- 7.46   8.722% *  0.0953% (0.92   1.0   0.02   0.02) =   0.010%
          QE    LYS+  33 - HD21  ASN   28  11.63 +/- 1.17   3.502% *  0.0926% (0.90   1.0   0.02   0.02) =   0.004%
          QE    LYS+  65 - HD21  ASN   28  17.18 +/- 4.51   2.576% *  0.1032% (1.00   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD21  ASN   28  13.94 +/- 1.41   1.997% *  0.0626% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD21  ASN   28  16.95 +/- 3.26   1.552% *  0.0387% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.51, residual support = 94.7:
      O   HB3   ASN   28 - HD21  ASN   28   3.98 +/- 0.25  84.755% * 97.7423% (0.90  10.0   3.52  94.83) =  99.820%  kept
          HG2   GLN   30 - HD21  ASN   28   9.40 +/- 0.55   6.732% *  2.1376% (1.00   1.0   0.39  19.60) =   0.173%  kept
          QE    LYS+ 121 - HD21  ASN   28  20.40 +/- 5.66   6.047% *  0.0791% (0.73   1.0   0.02   0.02) =   0.006%
          HB3   HIS  122 - HD21  ASN   28  21.64 +/- 6.32   2.466% *  0.0409% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.02, residual support = 14.5:
          QG2   VAL   24 - HD21  ASN   28   2.33 +/- 0.51  95.495% * 97.1453% (0.76   2.02  14.46) =  99.963%  kept
          HG    LEU   63 - HD21  ASN   28  17.23 +/- 4.67   2.055% *  1.1301% (0.90   0.02   0.19) =   0.025%
          HG3   LYS+ 112 - HD21  ASN   28  24.68 +/- 4.37   0.623% *  1.2160% (0.97   0.02   0.02) =   0.008%
          HB2   LEU  104 - HD21  ASN   28  19.16 +/- 5.11   1.458% *  0.1944% (0.15   0.02   0.02) =   0.003%
          QG2   VAL  108 - HD21  ASN   28  17.91 +/- 3.84   0.369% *  0.3142% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.94 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  98.265% * 99.7755% (1.00  10.0   5.01  47.32) =  99.999%  kept
          HA    PRO   52 - HN    ASN   28  25.00 +/- 4.68   0.859% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    ASN   28  23.55 +/- 3.37   0.428% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  22.52 +/- 2.21   0.448% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 6.51, residual support = 14.5:
          HA    VAL   24 - HN    ASN   28   3.82 +/- 0.37  91.233% * 99.5267% (0.92   6.51  14.46) =  99.984%  kept
          HD2   PRO   68 - HN    ASN   28  18.78 +/- 4.44   3.803% *  0.2009% (0.61   0.02   0.02) =   0.008%
          HA    ALA   61 - HN    ASN   28  15.86 +/- 3.49   2.859% *  0.1362% (0.41   0.02   0.02) =   0.004%
          HA    LYS+  38 - HN    ASN   28  14.54 +/- 1.40   2.105% *  0.1362% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.29, residual support = 47.3:
          HB2   TRP   27 - HN    ASN   28   3.09 +/- 0.22  98.516% * 99.2338% (0.80   5.29  47.32) =  99.994%  kept
          HA    THR   77 - HN    ASN   28  16.04 +/- 3.57   1.205% *  0.3912% (0.84   0.02   0.02) =   0.005%
          HD2   PRO   93 - HN    ASN   28  22.95 +/- 2.47   0.279% *  0.3750% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.51 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 = 6.31, residual support = 94.8:
      O   HB2   ASN   28 - HN    ASN   28   2.46 +/- 0.17  94.655% * 99.6076% (0.97  10.0   6.31  94.83) =  99.995%  kept
          QE    LYS+  33 - HN    ASN   28   9.41 +/- 1.38   2.152% *  0.0926% (0.90   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ASN   28  16.39 +/- 4.33   1.074% *  0.1032% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ASN   28  16.21 +/- 6.48   1.103% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    ASN   28  13.08 +/- 1.00   0.680% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  17.53 +/- 2.78   0.336% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.898, support = 5.96, residual support = 93.7:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.02  82.006% * 91.9346% (0.90  10.0   6.02  94.83) =  98.567%  kept
          HG2   GLN   30 - HN    ASN   28   6.59 +/- 0.54  13.754% *  7.9525% (1.00   1.0   1.55  19.60) =   1.430%  kept
          QE    LYS+ 121 - HN    ASN   28  20.47 +/- 5.32   1.986% *  0.0744% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    ASN   28  21.20 +/- 6.28   2.254% *  0.0385% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.71 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 = 0.554, support = 2.39, residual support = 18.0:
          HB2   GLU-  25 - HN    ASN   28   5.67 +/- 0.12  39.915% * 53.9302% (0.90   1.05   3.84) =  51.036%  kept
          HG3   GLU-  29 - HN    ASN   28   5.35 +/- 0.17  47.517% * 43.2651% (0.20   3.81  32.92) =  48.741%  kept
          QG    GLN   17 - HN    ASN   28  14.38 +/- 2.79   4.400% *  0.9196% (0.80   0.02   0.02) =   0.096%
          HB    VAL   70 - HN    ASN   28  15.39 +/- 2.83   3.758% *  0.8340% (0.73   0.02   0.02) =   0.074%
          HB2   LYS+  38 - HN    ASN   28  16.67 +/- 1.62   1.852% *  0.6966% (0.61   0.02   0.02) =   0.031%
          HB2   MET   96 - HN    ASN   28  15.88 +/- 3.18   2.558% *  0.3545% (0.31   0.02   0.02) =   0.021%
    Distance limit 4.72 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.484, support = 3.38, residual support = 14.5:
          QG2   VAL   24 - HN    ASN   28   3.69 +/- 0.24  68.418% * 56.5480% (0.45   3.76  14.46) =  77.349%  kept
          QG1   VAL   24 - HN    ASN   28   5.12 +/- 0.30  26.755% * 42.2978% (0.61   2.08  14.46) =  22.625%  kept
          HG    LEU   63 - HN    ASN   28  16.73 +/- 4.50   3.786% *  0.2073% (0.31   0.02   0.19) =   0.016%
          QG1   VAL  107 - HN    ASN   28  18.67 +/- 1.94   0.649% *  0.6200% (0.92   0.02   0.02) =   0.008%
          HD3   LYS+ 112 - HN    ASN   28  25.23 +/- 4.34   0.391% *  0.3269% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.67 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 = 0.391, support = 2.47, residual support = 0.874:
          QD2   LEU   80 - HN    ASN   28  11.19 +/- 7.16  24.028% * 48.0810% (0.45   2.56   1.20) =  50.002%  kept
          QD1   LEU   73 - HN    ASN   28   6.05 +/- 2.16  32.700% * 21.0904% (0.15   3.27   0.85) =  29.849%  kept
          QG1   VAL   83 - HN    ASN   28  11.20 +/- 5.95  13.768% * 17.6120% (1.00   0.42   0.02) =  10.495%  kept
          QD1   LEU   63 - HN    ASN   28  13.98 +/- 4.74  18.353% * 11.8247% (0.15   1.83   0.19) =   9.393%  kept
          QD1   LEU  104 - HN    ASN   28  15.72 +/- 4.16   8.702% *  0.5745% (0.69   0.02   0.02) =   0.216%  kept
          QG2   ILE   89 - HN    ASN   28  15.41 +/- 3.21   1.453% *  0.4735% (0.57   0.02   0.02) =   0.030%
          QD2   LEU  115 - HN    ASN   28  18.81 +/- 3.11   0.995% *  0.3439% (0.41   0.02   0.02) =   0.015%
    Distance limit 4.96 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 = 3.04, residual support = 26.6:
          HA    VAL   24 - HN    TRP   27   3.17 +/- 0.26  93.148% * 99.0249% (0.99   3.04  26.62) =  99.988%  kept
          HA    LYS+  38 - HN    TRP   27  15.82 +/- 1.37   0.860% *  0.4778% (0.73   0.02   0.02) =   0.004%
          HD2   PRO   68 - HN    TRP   27  18.44 +/- 3.55   1.538% *  0.2031% (0.31   0.02   0.02) =   0.003%
          HA    ALA   61 - HN    TRP   27  14.73 +/- 3.40   2.560% *  0.1152% (0.18   0.02   0.02) =   0.003%
          HA    VAL   24 - HN    ALA   91  20.49 +/- 4.33   0.472% *  0.0806% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  23.05 +/- 4.05   0.649% *  0.0251% (0.04   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  26.74 +/- 2.17   0.172% *  0.0590% (0.09   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  17.99 +/- 1.67   0.601% *  0.0142% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 5.38, residual support = 101.0:
      O   HB2   TRP   27 - HN    TRP   27   2.06 +/- 0.06  89.794% * 99.8160% (0.99  10.0   5.39 100.96) =  99.998%  kept
          HD2   PRO   93 - HN    ALA   91   5.99 +/- 1.48   8.121% *  0.0123% (0.12   1.0   0.02   0.02) =   0.001%
          HA    THR   77 - HN    TRP   27  15.20 +/- 3.23   0.312% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91  11.26 +/- 4.70   1.571% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  22.29 +/- 2.18   0.079% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  20.38 +/- 3.52   0.124% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 101.0:
      O   HB3   TRP   27 - HN    TRP   27   3.06 +/- 0.17  86.795% * 99.6559% (0.99  10.0   5.64 100.96) =  99.996%  kept
          HB3   PHE   60 - HN    TRP   27  16.68 +/- 4.07   2.812% *  0.0413% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    TRP   27  18.61 +/- 2.59   0.570% *  0.0986% (0.98   1.0   0.02   0.02) =   0.001%
          QE    LYS+  99 - HN    TRP   27  16.71 +/- 3.15   0.857% *  0.0529% (0.53   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    TRP   27  19.52 +/- 2.89   0.465% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  16.72 +/- 2.75   0.904% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  20.01 +/- 5.08   1.625% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  11.70 +/- 2.08   2.441% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  15.90 +/- 1.58   0.691% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  20.58 +/- 3.31   1.045% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  19.74 +/- 3.14   0.384% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  16.08 +/- 2.59   0.723% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  25.58 +/- 3.16   0.232% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  18.98 +/- 2.49   0.455% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.669, residual support = 1.32:
          HB3   CYS   21 - HN    TRP   27   5.72 +/- 2.48  69.224% * 95.9564% (0.53   0.67   1.32) =  99.387%  kept
          HG2   MET   96 - HN    TRP   27  17.16 +/- 3.26   9.989% *  3.2855% (0.61   0.02   0.02) =   0.491%  kept
          HG2   MET   96 - HN    ALA   91  12.24 +/- 1.30  15.749% *  0.4060% (0.07   0.02   0.02) =   0.096%
          HB3   CYS   21 - HN    ALA   91  19.84 +/- 3.57   5.038% *  0.3521% (0.07   0.02   0.02) =   0.027%
    Distance limit 4.38 A violated in 9 structures by 1.75 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.979, support = 4.45, residual support = 22.6:
          QG2   THR   26 - HN    TRP   27   3.38 +/- 0.25  68.786% * 94.9868% (0.98   4.46  22.71) =  99.718%  kept
          HB2   LYS+  74 - HN    TRP   27   9.92 +/- 2.62   5.158% *  3.0196% (0.80   0.17   0.02) =   0.238%  kept
          HD3   LYS+  74 - HN    TRP   27  11.70 +/- 3.12  11.128% *  0.0761% (0.18   0.02   0.02) =   0.013%
          HG2   LYS+  65 - HN    TRP   27  15.87 +/- 4.09   1.576% *  0.4336% (1.00   0.02   0.02) =   0.010%
          QD    LYS+  66 - HN    TRP   27  17.36 +/- 4.53   1.615% *  0.3321% (0.76   0.02   0.02) =   0.008%
          HG    LEU  104 - HN    TRP   27  19.60 +/- 4.60   2.015% *  0.1208% (0.28   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HN    TRP   27  22.71 +/- 5.13   0.508% *  0.4336% (1.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    TRP   27  16.24 +/- 2.05   0.861% *  0.0860% (0.20   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    ALA   91  20.13 +/- 4.30   1.409% *  0.0410% (0.09   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HN    TRP   27  23.33 +/- 4.96   0.351% *  0.1208% (0.28   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    ALA   91  20.54 +/- 4.07   0.685% *  0.0536% (0.12   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    ALA   91  12.77 +/- 3.58   2.449% *  0.0106% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  17.78 +/- 2.79   0.577% *  0.0430% (0.10   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  20.19 +/- 3.06   0.418% *  0.0536% (0.12   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  20.17 +/- 1.96   0.375% *  0.0526% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  26.36 +/- 3.68   0.169% *  0.0860% (0.20   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  19.43 +/- 2.14   0.502% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  17.61 +/- 3.33   0.675% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  20.31 +/- 3.04   0.390% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  21.83 +/- 2.22   0.354% *  0.0106% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.928, support = 2.81, residual support = 14.1:
          QD1   LEU   73 - HN    TRP   27   5.29 +/- 2.13  30.565% * 43.7113% (1.00   3.19  21.30) =  57.025%  kept
          QD2   LEU   80 - HN    TRP   27  10.51 +/- 7.14  22.715% * 28.2827% (0.76   2.69   5.86) =  27.420%  kept
          QD1   LEU   63 - HN    TRP   27  13.30 +/- 4.67  14.007% * 24.0391% (1.00   1.75   2.18) =  14.372%  kept
          QD2   LEU   63 - HN    TRP   27  13.13 +/- 3.94   8.606% *  2.4179% (0.61   0.29   2.18) =   0.888%  kept
          QG1   VAL   83 - HN    TRP   27  11.34 +/- 5.54   6.002% *  0.9783% (0.15   0.46   0.32) =   0.251%  kept
          QD1   LEU  104 - HN    TRP   27  16.15 +/- 4.19   3.793% *  0.1445% (0.53   0.02   0.02) =   0.023%
          QG2   VAL   41 - HN    TRP   27  10.78 +/- 3.16   4.611% *  0.0372% (0.14   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    TRP   27  18.17 +/- 3.30   0.574% *  0.2199% (0.80   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    ALA   91  14.24 +/- 3.09   1.190% *  0.0339% (0.12   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    ALA   91  12.80 +/- 1.82   1.467% *  0.0272% (0.10   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    ALA   91  12.69 +/- 1.13   1.217% *  0.0259% (0.09   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    ALA   91  14.56 +/- 2.78   1.135% *  0.0206% (0.07   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   91  15.72 +/- 2.14   0.685% *  0.0339% (0.12   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    ALA   91  10.88 +/- 0.84   1.917% *  0.0052% (0.02   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  16.76 +/- 1.79   0.561% *  0.0179% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  15.34 +/- 2.05   0.953% *  0.0046% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.901, support = 0.02, residual support = 0.929:
          QG2   VAL   75 - HN    TRP   27   8.76 +/- 2.50  45.067% * 43.3149% (0.95   0.02   1.38) =  66.657%  kept
          QG2   VAL   42 - HN    TRP   27  12.31 +/- 1.48  16.823% * 45.6877% (1.00   0.02   0.02) =  26.245%  kept
          QG2   VAL   75 - HN    ALA   91  12.10 +/- 3.10  24.810% *  5.3521% (0.12   0.02   0.02) =   4.534%  kept
          QG2   VAL   42 - HN    ALA   91  13.94 +/- 1.41  13.300% *  5.6453% (0.12   0.02   0.02) =   2.564%  kept
    Distance limit 4.57 A violated in 18 structures by 3.09 A, eliminated.
    Peak unassigned.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.862, support = 1.44, residual support = 11.7:
          QD1   LEU   73 - HE1   TRP   27   6.31 +/- 2.08  21.254% * 37.0821% (0.87   1.80  21.30) =  44.956%  kept
          QD2   LEU   80 - HE1   TRP   27   9.89 +/- 6.90  15.342% * 33.5512% (0.99   1.42   5.86) =  29.362%  kept
          QD1   LEU   63 - HE1   TRP   27  12.88 +/- 4.84  13.693% * 21.1633% (0.87   1.03   2.18) =  16.529%  kept
          QG1   VAL   83 - HE1   TRP   27   8.64 +/- 6.52  25.740% *  5.2559% (0.41   0.54   0.32) =   7.717%  kept
          QD2   LEU   63 - HE1   TRP   27  12.74 +/- 4.06   9.218% *  2.0608% (0.28   0.31   2.18) =   1.084%  kept
          QD1   LEU  104 - HE1   TRP   27  13.97 +/- 4.44  13.203% *  0.4123% (0.87   0.02   0.02) =   0.311%  kept
          QD2   LEU  115 - HE1   TRP   27  17.04 +/- 2.87   1.550% *  0.4743% (1.00   0.02   0.02) =   0.042%
    Distance limit 4.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.491, support = 1.73, residual support = 18.2:
          QD2   LEU   31 - HE1   TRP   27   3.82 +/- 0.66  71.024% * 52.7480% (0.31   2.15  23.42) =  73.235%  kept
          QG2   VAL   43 - HE1   TRP   27   7.90 +/- 3.40  28.976% * 47.2520% (0.99   0.60   3.77) =  26.765%  kept
    Distance limit 3.96 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.71, residual support = 31.6:
          HB2   GLU-  25 - HN    THR   26   2.79 +/- 0.29  84.487% * 98.9802% (0.90   5.71  31.59) =  99.977%  kept
          HG3   GLU-  29 - HN    THR   26   5.48 +/- 0.33  11.707% *  0.0764% (0.20   0.02   0.89) =   0.011%
          QG    GLN   17 - HN    THR   26  14.22 +/- 3.17   2.589% *  0.3093% (0.80   0.02   0.02) =   0.010%
          HB    VAL   70 - HN    THR   26  17.19 +/- 2.38   0.507% *  0.2805% (0.73   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    THR   26  19.50 +/- 1.55   0.311% *  0.2343% (0.61   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    THR   26  18.10 +/- 3.11   0.399% *  0.1192% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.64 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 = 31.5:
          HB3   GLU-  25 - HN    THR   26   3.43 +/- 0.18  68.057% * 95.4725% (0.57   5.23  31.59) =  99.812%  kept
          HG3   GLN   30 - HN    THR   26   7.64 +/- 0.90   7.197% *  0.5391% (0.84   0.02   4.89) =   0.060%
          HB2   GLN   17 - HN    THR   26  15.18 +/- 3.61   6.542% *  0.4932% (0.76   0.02   0.02) =   0.050%
          HB2   GLN   30 - HN    THR   26   7.74 +/- 0.97   7.434% *  0.3396% (0.53   0.02   4.89) =   0.039%
          QB    GLU-  15 - HN    THR   26  15.97 +/- 3.34   1.529% *  0.4932% (0.76   0.02   0.02) =   0.012%
          HB    ILE   19 - HN    THR   26   9.73 +/- 1.64   5.297% *  0.1277% (0.20   0.02   0.02) =   0.010%
          HB3   GLU- 100 - HN    THR   26  21.77 +/- 5.54   1.007% *  0.3915% (0.61   0.02   0.02) =   0.006%
          HB3   PRO   68 - HN    THR   26  21.21 +/- 3.95   0.508% *  0.6440% (1.00   0.02   0.02) =   0.005%
          HB2   ARG+  54 - HN    THR   26  24.77 +/- 5.09   0.920% *  0.1609% (0.25   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    THR   26  24.76 +/- 4.68   0.346% *  0.3396% (0.53   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    THR   26  28.89 +/- 3.95   0.146% *  0.5391% (0.84   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    THR   26  21.48 +/- 4.10   0.620% *  0.0996% (0.15   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    THR   26  25.35 +/- 2.54   0.190% *  0.1992% (0.31   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    THR   26  24.91 +/- 2.71   0.206% *  0.1609% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.05 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 = 0.945, support = 4.45, residual support = 34.7:
          QG2   THR   26 - HN    THR   26   3.63 +/- 0.06  87.240% * 98.0816% (0.95   4.45  34.67) =  99.947%  kept
          HB2   LYS+  74 - HN    THR   26  11.49 +/- 2.82   5.038% *  0.4617% (0.99   0.02   0.02) =   0.027%
          HG2   LYS+  65 - HN    THR   26  17.23 +/- 4.58   2.654% *  0.4177% (0.90   0.02   0.02) =   0.013%
          QD    LYS+  66 - HN    THR   26  18.66 +/- 5.16   2.854% *  0.2088% (0.45   0.02   0.02) =   0.007%
          HD2   LYS+ 121 - HN    THR   26  24.59 +/- 5.23   0.514% *  0.3890% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    THR   26  18.41 +/- 2.12   0.807% *  0.2088% (0.45   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    THR   26  23.29 +/- 4.17   0.513% *  0.1161% (0.25   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    THR   26  24.33 +/- 3.88   0.379% *  0.1161% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.87 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   9.93 +/- 0.34  28.167% * 11.0578% (0.69   0.02   0.02) =  32.722%  kept
          HB3   LEU   80 - HN    THR   26  15.37 +/- 7.14  19.774% *  8.4695% (0.53   0.02   0.02) =  17.595%  kept
          HG2   LYS+  99 - HN    THR   26  20.70 +/- 4.43   6.691% * 15.5357% (0.97   0.02   0.02) =  10.921%  kept
          HB2   LEU   63 - HN    THR   26  17.79 +/- 4.61  12.363% *  6.6181% (0.41   0.02   0.02) =   8.596%  kept
          HG2   LYS+  38 - HN    THR   26  18.97 +/- 1.97   4.670% * 16.0623% (1.00   0.02   0.02) =   7.881%  kept
          QG2   THR   77 - HN    THR   26  14.69 +/- 1.74   9.443% *  7.8357% (0.49   0.02   0.02) =   7.773%  kept
          QB    ALA   88 - HN    THR   26  19.97 +/- 3.73   4.770% * 13.9639% (0.87   0.02   0.02) =   6.998%  kept
          HB3   ASP-  44 - HN    THR   26  16.50 +/- 2.23   8.057% *  4.9686% (0.31   0.02   0.02) =   4.206%  kept
          HG2   LYS+ 111 - HN    THR   26  29.12 +/- 3.91   1.334% * 12.3026% (0.76   0.02   0.02) =   1.725%  kept
          QB    ALA  124 - HN    THR   26  24.35 +/- 5.99   4.732% *  3.1858% (0.20   0.02   0.02) =   1.584%  kept
    Distance limit 4.63 A violated in 20 structures by 4.12 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.65, residual support = 34.7:
      O   HA    VAL   24 - HN    GLU-  25   3.60 +/- 0.03  96.076% * 99.8455% (0.92  10.0   5.65  34.70) =  99.998%  kept
          HD2   PRO   68 - HN    GLU-  25  21.52 +/- 4.86   1.779% *  0.0656% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    GLU-  25  17.55 +/- 3.63   1.442% *  0.0445% (0.41   1.0   0.02   0.02) =   0.001%
          HA    LYS+  38 - HN    GLU-  25  19.11 +/- 1.52   0.702% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 6.14, residual support = 127.4:
      O   HB2   GLU-  25 - HN    GLU-  25   2.96 +/- 0.32  87.520% * 99.5608% (0.61  10.0   6.14 127.45) =  99.991%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.13 +/- 0.48   7.093% *  0.0736% (0.45   1.0   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    GLU-  25   9.03 +/- 0.45   3.404% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    GLU-  25  16.10 +/- 3.06   0.902% *  0.0799% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  25  21.16 +/- 1.73   0.274% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  18.56 +/- 3.01   0.535% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  24.02 +/- 5.78   0.273% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.88, residual support = 127.4:
      O   HB3   GLU-  25 - HN    GLU-  25   2.49 +/- 0.69  86.765% * 98.7761% (0.57  10.0   5.88 127.45) =  99.984%  kept
          HB2   GLN   17 - HN    GLU-  25  17.41 +/- 3.49   2.521% *  0.1333% (0.76   1.0   0.02   0.02) =   0.004%
          HG3   GLN   30 - HN    GLU-  25  10.00 +/- 0.81   2.186% *  0.1457% (0.84   1.0   0.02   0.02) =   0.004%
          HB2   GLN   30 - HN    GLU-  25   9.75 +/- 0.94   3.047% *  0.0918% (0.53   1.0   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    GLU-  25  22.66 +/- 5.01   0.664% *  0.1741% (1.00   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    GLU-  25  18.04 +/- 3.24   0.733% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    GLU-  25  22.49 +/- 6.05   0.670% *  0.1058% (0.61   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLU-  25  11.82 +/- 1.51   1.439% *  0.0345% (0.20   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLU-  25  25.35 +/- 4.79   0.304% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  22.88 +/- 5.11   0.898% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  24.94 +/- 5.33   0.351% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  28.80 +/- 4.07   0.101% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  25.13 +/- 3.35   0.162% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.92 +/- 2.97   0.160% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.36, residual support = 6.43:
          QG2   THR   23 - HN    GLU-  25   4.22 +/- 0.62  89.442% * 98.6524% (0.73   3.36   6.44) =  99.959%  kept
          QG2   THR   77 - HN    GLU-  25  14.56 +/- 1.88   2.725% *  0.5877% (0.73   0.02   0.02) =   0.018%
          QB    ALA   34 - HN    GLU-  25  12.28 +/- 0.57   4.089% *  0.3037% (0.38   0.02   0.02) =   0.014%
          QG2   ILE   56 - HN    GLU-  25  19.19 +/- 3.45   2.291% *  0.1802% (0.22   0.02   0.02) =   0.005%
          QB    ALA   88 - HN    GLU-  25  19.35 +/- 4.57   1.453% *  0.2761% (0.34   0.02   0.02) =   0.005%
    Distance limit 4.42 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.6, residual support = 34.7:
          QG2   VAL   24 - HN    GLU-  25   3.52 +/- 0.24  95.002% * 99.2445% (0.97   4.60  34.70) =  99.981%  kept
          HG    LEU   63 - HN    GLU-  25  18.79 +/- 5.09   4.111% *  0.3875% (0.87   0.02   0.02) =   0.017%
          QG1   VAL  107 - HN    GLU-  25  20.39 +/- 2.17   0.580% *  0.1677% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    GLU-  25  26.27 +/- 4.56   0.306% *  0.2003% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.29, residual support = 127.4:
          HG2   GLU-  25 - HN    GLU-  25   3.55 +/- 0.77  96.846% * 99.4326% (0.97   5.29 127.45) =  99.995%  kept
          HB3   TRP   87 - HN    GLU-  25  19.44 +/- 5.09   1.518% *  0.1203% (0.31   0.02   0.02) =   0.002%
          HB3   PHE   95 - HN    GLU-  25  20.55 +/- 1.75   0.691% *  0.1897% (0.49   0.02   0.02) =   0.001%
          HG2   GLN  116 - HN    GLU-  25  27.04 +/- 4.72   0.497% *  0.1602% (0.41   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  25  27.51 +/- 4.87   0.448% *  0.0972% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 65.0:
      O   HA    VAL   24 - HN    VAL   24   2.74 +/- 0.06  97.975% * 99.8455% (0.92  10.0   4.34  65.04) =  99.999%  kept
          HD2   PRO   68 - HN    VAL   24  20.81 +/- 4.60   0.836% *  0.0656% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    VAL   24  15.96 +/- 3.53   0.905% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  19.71 +/- 1.59   0.285% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 65.0:
      O   HB    VAL   24 - HN    VAL   24   2.46 +/- 0.16  94.846% * 99.7135% (0.95  10.0   4.68  65.04) =  99.997%  kept
          HG3   GLU- 100 - HN    VAL   24  22.00 +/- 5.93   0.836% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    VAL   24  12.11 +/- 0.67   0.851% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    VAL   24  12.17 +/- 5.49   3.163% *  0.0163% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    VAL   24  22.41 +/- 4.42   0.304% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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   4.00 +/- 0.48  89.607% * 99.1627% (0.73   5.43  25.76) =  99.973%  kept
          QG2   THR   77 - HN    VAL   24  12.81 +/- 1.85   3.557% *  0.3651% (0.73   0.02   0.02) =   0.015%
          QB    ALA   34 - HN    VAL   24  12.65 +/- 0.68   3.179% *  0.1887% (0.38   0.02   0.02) =   0.007%
          QB    ALA   88 - HN    VAL   24  18.12 +/- 4.45   1.493% *  0.1715% (0.34   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    VAL   24  17.65 +/- 3.32   2.163% *  0.1119% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.86, support = 4.15, residual support = 65.0:
          QG1   VAL   24 - HN    VAL   24   2.08 +/- 0.21  82.829% * 77.1654% (0.90   4.08  65.04) =  94.715%  kept
          QG2   VAL   24 - HN    VAL   24   3.69 +/- 0.03  16.274% * 21.9026% (0.20   5.25  65.04) =   5.282%  kept
          QG1   VAL  107 - HN    VAL   24  19.03 +/- 2.38   0.165% *  0.4175% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    VAL   24  12.66 +/- 0.52   0.408% *  0.0938% (0.22   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL   24  24.34 +/- 4.89   0.102% *  0.3373% (0.80   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    VAL   24  22.05 +/- 4.85   0.221% *  0.0834% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.865, support = 1.71, residual support = 2.41:
          QD2   LEU   80 - HN    VAL   24   9.63 +/- 6.93  28.790% * 27.9459% (0.76   2.01   4.26) =  40.508%  kept
          QD1   LEU   73 - HN    VAL   24   7.23 +/- 1.78  22.636% * 29.7120% (1.00   1.63   1.36) =  33.862%  kept
          QD1   LEU   63 - HN    VAL   24  14.49 +/- 5.01  13.003% * 26.2981% (1.00   1.45   0.92) =  17.217%  kept
          QD2   LEU   63 - HN    VAL   24  14.48 +/- 4.51  10.511% * 13.6667% (0.61   1.24   0.92) =   7.232%  kept
          QG1   VAL   83 - HN    VAL   24  10.89 +/- 5.67  11.483% *  1.8443% (0.15   0.66   0.24) =   1.066%  kept
          QD1   LEU  104 - HN    VAL   24  17.87 +/- 4.81   9.519% *  0.1918% (0.53   0.02   0.02) =   0.092%
          QD2   LEU  115 - HN    VAL   24  18.55 +/- 3.60   1.038% *  0.2919% (0.80   0.02   0.02) =   0.015%
          QG2   VAL   41 - HN    VAL   24  13.32 +/- 2.86   3.019% *  0.0493% (0.14   0.02   0.02) =   0.007%
    Distance limit 3.85 A violated in 4 structures by 0.62 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.988, support = 4.91, residual support = 21.1:
          HB2   HIS   22 - HN    THR   23   4.35 +/- 0.26  80.722% * 85.8566% (0.99   5.00  21.60) =  97.710%  kept
          HA    LEU   63 - HN    THR   23  16.19 +/- 4.41  11.497% * 14.0965% (0.84   0.97   0.35) =   2.285%  kept
          HA2   GLY  101 - HN    THR   23  21.39 +/- 6.15   7.781% *  0.0469% (0.14   0.02   0.02) =   0.005%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.61, residual support = 21.6:
          HB3   HIS   22 - HN    THR   23   4.29 +/- 0.29  97.168% * 99.7168% (0.76   5.61  21.60) =  99.996%  kept
          HD3   ARG+  54 - HN    THR   23  22.15 +/- 4.43   1.327% *  0.1912% (0.41   0.02   0.02) =   0.003%
          HB2   PHE   95 - HN    THR   23  18.78 +/- 1.95   1.505% *  0.0920% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.36, residual support = 3.84:
          HB3   CYS   21 - HN    THR   23   4.67 +/- 0.94 100.000% *100.0000% (1.00   2.36   3.84) = 100.000%  kept
    Distance limit 4.56 A violated in 0 structures by 0.48 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.734, support = 1.89, residual support = 12.7:
          QG2   THR   26 - HN    THR   23   4.66 +/- 0.41  60.092% * 88.5781% (0.73   1.96  13.25) =  95.953%  kept
          HB2   LYS+  74 - HN    THR   23   8.14 +/- 3.39  28.985% *  7.5262% (0.95   0.13   0.02) =   3.933%  kept
          HG2   LYS+  65 - HN    THR   23  14.77 +/- 3.62   3.429% *  0.8038% (0.65   0.02   0.02) =   0.050%
          QD    LYS+  66 - HN    THR   23  17.17 +/- 4.03   4.098% *  0.2766% (0.22   0.02   0.02) =   0.020%
          HB3   LEU   40 - HN    THR   23  18.35 +/- 2.02   1.078% *  0.9022% (0.73   0.02   0.02) =   0.018%
          HD2   LYS+ 121 - HN    THR   23  23.08 +/- 4.94   0.751% *  0.7034% (0.57   0.02   0.02) =   0.010%
          QB    ALA  120 - HN    THR   23  21.67 +/- 4.07   0.832% *  0.6048% (0.49   0.02   0.02) =   0.009%
          HG    LEU  115 - HN    THR   23  21.71 +/- 3.73   0.734% *  0.6048% (0.49   0.02   0.02) =   0.008%
    Distance limit 4.47 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.88, residual support = 19.1:
          QG2   THR   23 - HN    THR   23   3.16 +/- 0.48  92.460% * 97.7606% (0.41   4.88  19.14) =  99.965%  kept
          QG2   THR   77 - HN    THR   23  12.38 +/- 1.41   1.893% *  0.9407% (0.97   0.02   0.02) =   0.020%
          HG2   LYS+  99 - HN    THR   23  20.73 +/- 4.69   2.342% *  0.2170% (0.22   0.02   0.02) =   0.006%
          QB    ALA   88 - HN    THR   23  18.87 +/- 3.29   0.722% *  0.6305% (0.65   0.02   0.02) =   0.005%
          QB    ALA   34 - HN    THR   23  12.07 +/- 0.90   2.116% *  0.1504% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    THR   23  20.63 +/- 2.07   0.467% *  0.3008% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.91 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 = 0.517, support = 1.04, residual support = 0.394:
          QD1   LEU   73 - HN    THR   23   5.88 +/- 1.91  30.562% * 16.9657% (0.53   0.68   0.20) =  31.242%  kept
          QD1   LEU   63 - HN    THR   23  13.18 +/- 4.34  13.920% * 29.8035% (0.53   1.19   0.35) =  24.997%  kept
          QD2   LEU   80 - HN    THR   23  10.15 +/- 6.40  17.076% * 19.6932% (0.20   2.10   0.65) =  20.262%  kept
          QD2   LEU   63 - HN    THR   23  13.11 +/- 3.80   9.276% * 24.5824% (1.00   0.52   0.35) =  13.740%  kept
          QD1   LEU   80 - HN    THR   23  10.69 +/- 6.80  20.475% *  7.7054% (0.45   0.36   0.65) =   9.506%  kept
          QG2   VAL   41 - HN    THR   23  12.70 +/- 3.16   3.726% *  0.6135% (0.65   0.02   0.02) =   0.138%  kept
          QD2   LEU   98 - HN    THR   23  14.18 +/- 4.10   4.048% *  0.4252% (0.45   0.02   0.02) =   0.104%  kept
          QD2   LEU  115 - HN    THR   23  17.50 +/- 3.51   0.918% *  0.2111% (0.22   0.02   0.02) =   0.012%
    Distance limit 3.93 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 35.3:
      O   HB3   HIS   22 - HN    HIS   22   3.19 +/- 0.64  99.120% * 99.9260% (0.98  10.0   3.46  35.30) =  99.999%  kept
          HD3   ARG+  54 - HN    HIS   22  21.97 +/- 4.70   0.880% *  0.0740% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 4.14 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 = 169.5:
          HG3   ARG+  54 - HN    ARG+  54   3.74 +/- 0.73  52.795% * 95.1135% (0.26   6.68 170.28) =  99.533%  kept
          QB    ALA   57 - HN    ARG+  54   5.93 +/- 1.47  23.214% *  0.7830% (0.72   0.02   0.02) =   0.360%  kept
          QB    ALA   57 - HN    ASP-  62   6.90 +/- 0.96  10.957% *  0.1465% (0.14   0.02   0.02) =   0.032%
          HD3   LYS+ 111 - HN    ARG+  54  15.53 +/- 2.87   1.362% *  0.8204% (0.76   0.02   0.02) =   0.022%
          HB3   LEU  123 - HN    ARG+  54  19.40 +/- 3.14   0.681% *  1.0043% (0.93   0.02   0.02) =   0.014%
          HD2   LYS+  74 - HN    ARG+  54  16.26 +/- 2.76   1.213% *  0.4594% (0.42   0.02   0.02) =   0.011%
          QD    LYS+  33 - HN    ARG+  54  24.01 +/- 2.88   0.324% *  1.0043% (0.93   0.02   0.02) =   0.006%
          HB3   LEU  123 - HN    ASP-  62  13.66 +/- 1.89   1.658% *  0.1879% (0.17   0.02   0.02) =   0.006%
          HD2   LYS+  74 - HN    ASP-  62  10.85 +/- 2.61   3.416% *  0.0860% (0.08   0.02   0.02) =   0.006%
          QD    LYS+  33 - HN    ASP-  62  17.24 +/- 3.51   1.320% *  0.1879% (0.17   0.02   0.02) =   0.005%
          HG3   ARG+  54 - HN    ASP-  62  12.93 +/- 2.39   2.416% *  0.0533% (0.05   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HN    ASP-  62  19.19 +/- 2.03   0.643% *  0.1535% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.43, residual support = 30.3:
      O   HB2   CYS   21 - HN    CYS   21   2.98 +/- 0.55  92.268% * 99.8975% (0.90  10.0   3.43  30.26) =  99.998%  kept
          HB2   CYS   21 - HN    ILE  119  19.96 +/- 5.27   3.425% *  0.0316% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   PHE   45 - HN    CYS   21  14.39 +/- 3.04   1.279% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  12.69 +/- 1.02   1.697% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.90 +/- 3.60   0.267% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.06 +/- 1.50   1.063% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.43, residual support = 30.3:
      O   HB3   CYS   21 - HN    CYS   21   2.98 +/- 0.52  93.363% * 99.8170% (0.53  10.0   3.43  30.26) =  99.995%  kept
          HG2   MET   96 - HN    CYS   21  16.18 +/- 3.86   3.460% *  0.1151% (0.61   1.0   0.02   0.02) =   0.004%
          HB3   CYS   21 - HN    ILE  119  19.89 +/- 5.09   2.008% *  0.0315% (0.17   1.0   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ILE  119  14.59 +/- 2.85   1.169% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.493, support = 0.443, residual support = 0.703:
          HG    LEU  123 - HN    ILE  119   6.73 +/- 1.27  20.878% * 25.6414% (0.32   0.53   1.35) =  51.511%  kept
          HG12  ILE  103 - HN    CYS   21  17.73 +/- 5.01   7.833% * 38.6370% (0.92   0.27   0.02) =  29.120%  kept
          HB3   ASP- 105 - HN    ILE  119  10.36 +/- 4.68  10.806% * 11.1753% (0.10   0.75   0.02) =  11.619%  kept
          HG    LEU  123 - HN    CYS   21  20.98 +/- 6.21   5.812% *  3.0488% (1.00   0.02   0.02) =   1.705%  kept
          HB3   PRO   52 - HN    CYS   21  20.63 +/- 5.00   4.567% *  3.0488% (1.00   0.02   0.02) =   1.340%  kept
          HB    VAL   41 - HN    CYS   21  13.33 +/- 4.00   5.560% *  2.4467% (0.80   0.02   0.02) =   1.309%  kept
          QB    LYS+ 102 - HN    CYS   21  19.15 +/- 4.86   2.352% *  2.3180% (0.18   0.09   0.02) =   0.525%  kept
          QB    LYS+  66 - HN    CYS   21  13.97 +/- 1.75   2.327% *  1.8533% (0.61   0.02   0.02) =   0.415%  kept
          QB    LYS+  66 - HN    ILE  119  13.01 +/- 3.78   6.977% *  0.5856% (0.19   0.02   0.02) =   0.393%  kept
          QB    LYS+  33 - HN    CYS   21  12.05 +/- 1.94   4.325% *  0.6803% (0.22   0.02   0.02) =   0.283%  kept
          HB    ILE  103 - HN    CYS   21  19.81 +/- 4.74   2.523% *  1.1468% (0.38   0.02   0.02) =   0.278%  kept
          HB3   PRO   52 - HN    ILE  119  14.68 +/- 2.15   2.422% *  0.9634% (0.32   0.02   0.02) =   0.225%  kept
          HG2   PRO   93 - HN    CYS   21  19.31 +/- 2.77   1.698% *  1.0423% (0.34   0.02   0.02) =   0.170%  kept
          HG2   PRO   93 - HN    ILE  119  12.61 +/- 2.64   5.047% *  0.3294% (0.11   0.02   0.02) =   0.160%  kept
          HB3   ASP- 105 - HN    CYS   21  18.90 +/- 3.83   1.693% *  0.9431% (0.31   0.02   0.02) =   0.154%  kept
          HG3   PRO   68 - HN    CYS   21  18.16 +/- 1.59   1.093% *  1.2562% (0.41   0.02   0.02) =   0.132%  kept
          HG12  ILE  103 - HN    ILE  119  16.98 +/- 3.39   1.442% *  0.8913% (0.29   0.02   0.02) =   0.124%  kept
          HB    VAL   41 - HN    ILE  119  18.09 +/- 3.72   1.556% *  0.7731% (0.25   0.02   0.02) =   0.116%  kept
          HG2   ARG+  54 - HN    CYS   21  19.34 +/- 3.57   1.100% *  1.0423% (0.34   0.02   0.02) =   0.110%  kept
          HG3   PRO   68 - HN    ILE  119  18.68 +/- 4.86   2.497% *  0.3969% (0.13   0.02   0.02) =   0.095%
          HG2   ARG+  54 - HN    ILE  119  15.56 +/- 2.04   2.084% *  0.3294% (0.11   0.02   0.02) =   0.066%
          HB    ILE  103 - HN    ILE  119  16.92 +/- 3.52   1.460% *  0.3624% (0.12   0.02   0.02) =   0.051%
          HB3   GLN   90 - HN    CYS   21  21.76 +/- 4.13   0.856% *  0.5351% (0.18   0.02   0.02) =   0.044%
          QB    LYS+  33 - HN    ILE  119  22.12 +/- 4.87   1.089% *  0.2150% (0.07   0.02   0.02) =   0.023%
          QB    LYS+ 102 - HN    ILE  119  18.11 +/- 3.38   1.232% *  0.1691% (0.06   0.02   0.02) =   0.020%
          HB3   GLN   90 - HN    ILE  119  20.44 +/- 2.24   0.770% *  0.1691% (0.06   0.02   0.02) =   0.013%
    Distance limit 3.65 A violated in 13 structures by 2.07 A, kept.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.57, support = 5.77, residual support = 133.7:
          QB    ALA   20 - HN    CYS   21   3.45 +/- 0.26  36.221% * 54.1521% (0.80   3.89  16.54) =  53.070%  kept
          HG13  ILE  119 - HN    ILE  119   3.30 +/- 0.67  40.302% * 42.8337% (0.31   7.94 267.37) =  46.708%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.59 +/- 0.78   4.087% *  1.5679% (0.13   0.69   8.05) =   0.173%  kept
          HG13  ILE  119 - HN    CYS   21  18.08 +/- 4.41   1.886% *  0.3413% (0.98   0.02   0.02) =   0.017%
          QG1   VAL   24 - HN    CYS   21   8.25 +/- 0.97   2.916% *  0.1075% (0.31   0.02   0.02) =   0.008%
          HB3   LEU   31 - HN    CYS   21  12.70 +/- 1.55   0.899% *  0.3360% (0.97   0.02   0.02) =   0.008%
          QG2   VAL  107 - HN    ILE  119   6.74 +/- 2.58   9.380% *  0.0245% (0.07   0.02   0.02) =   0.006%
          HD3   LYS+ 112 - HN    ILE  119   9.45 +/- 1.51   2.176% *  0.0452% (0.13   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - HN    CYS   21  21.85 +/- 5.14   0.341% *  0.1431% (0.41   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    ILE  119  18.08 +/- 3.32   0.433% *  0.0881% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  21.65 +/- 4.78   0.356% *  0.1062% (0.30   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    CYS   21  15.66 +/- 1.77   0.470% *  0.0775% (0.22   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  20.97 +/- 4.04   0.240% *  0.1431% (0.41   0.02   0.02) =   0.001%
          QG1   VAL   24 - HN    ILE  119  20.37 +/- 3.57   0.293% *  0.0340% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.526, support = 2.13, residual support = 7.84:
          QD2   LEU   73 - HN    CYS   21   5.35 +/- 2.02  26.069% * 71.8556% (0.57   2.36   9.38) =  82.745%  kept
          QD1   ILE   19 - HN    CYS   21   6.05 +/- 0.92  17.684% * 16.0676% (0.22   1.34   0.63) =  12.552%  kept
          QG2   VAL   18 - HN    CYS   21   6.69 +/- 1.01  12.734% *  6.7717% (0.65   0.19   0.02) =   3.809%  kept
          QG1   VAL   43 - HN    CYS   21  10.21 +/- 3.80   8.026% *  0.9317% (0.87   0.02   0.02) =   0.330%  kept
          QG1   VAL   41 - HN    CYS   21  11.48 +/- 2.95   2.938% *  1.0528% (0.98   0.02   0.02) =   0.137%  kept
          HG    LEU   31 - HN    CYS   21  10.34 +/- 1.56   3.281% *  0.7799% (0.73   0.02   0.02) =   0.113%  kept
          QG2   THR   46 - HN    CYS   21  11.13 +/- 2.63   3.874% *  0.5651% (0.53   0.02   0.02) =   0.097%
          QD1   ILE   56 - HN    CYS   21  14.24 +/- 3.50   4.500% *  0.3315% (0.31   0.02   0.02) =   0.066%
          QD1   ILE   56 - HN    ILE  119   7.61 +/- 1.23   9.323% *  0.1048% (0.10   0.02   0.02) =   0.043%
          QD2   LEU   73 - HN    ILE  119  14.59 +/- 3.08   3.939% *  0.1921% (0.18   0.02   0.02) =   0.033%
          QG1   VAL   43 - HN    ILE  119  13.28 +/- 2.33   1.731% *  0.2944% (0.27   0.02   0.02) =   0.023%
          QG2   THR   46 - HN    ILE  119  12.71 +/- 2.20   2.189% *  0.1786% (0.17   0.02   0.02) =   0.017%
          QG1   VAL   41 - HN    ILE  119  16.09 +/- 3.26   1.093% *  0.3327% (0.31   0.02   0.02) =   0.016%
          QG2   VAL   18 - HN    ILE  119  15.82 +/- 2.39   1.000% *  0.2196% (0.20   0.02   0.02) =   0.010%
          HG    LEU   31 - HN    ILE  119  21.08 +/- 3.83   0.542% *  0.2464% (0.23   0.02   0.02) =   0.006%
          QD1   ILE   19 - HN    ILE  119  18.20 +/- 3.36   1.075% *  0.0756% (0.07   0.02   0.02) =   0.004%
    Distance limit 4.52 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.481, support = 4.92, residual support = 9.0:
          QD1   LEU   73 - HN    CYS   21   4.42 +/- 2.01  29.427% * 63.5368% (0.53   5.12   9.38) =  83.210%  kept
          QD2   LEU  115 - HN    ILE  119   3.90 +/- 0.56  30.397% *  8.7465% (0.07   5.27  10.06) =  11.832%  kept
          QD1   LEU   63 - HN    CYS   21  11.21 +/- 2.93   6.467% *  8.8194% (0.53   0.71   0.11) =   2.538%  kept
          QD2   LEU   63 - HN    CYS   21  10.98 +/- 2.36   2.837% * 17.4052% (1.00   0.74   0.11) =   2.197%  kept
          QG2   VAL   41 - HN    CYS   21  11.09 +/- 3.68   3.827% *  0.3053% (0.65   0.02   0.02) =   0.052%
          QD1   LEU   80 - HN    CYS   21  11.37 +/- 6.05   5.475% *  0.2116% (0.45   0.02   0.02) =   0.052%
          QD2   LEU   98 - HN    CYS   21  12.85 +/- 4.04   4.712% *  0.2116% (0.45   0.02   0.02) =   0.044%
          QD2   LEU   63 - HN    ILE  119   9.82 +/- 3.15   3.931% *  0.1488% (0.32   0.02   0.02) =   0.026%
          QD2   LEU   80 - HN    CYS   21  10.81 +/- 5.76   4.943% *  0.0934% (0.20   0.02   0.02) =   0.021%
          QD1   LEU   63 - HN    ILE  119   9.71 +/- 2.75   3.181% *  0.0784% (0.17   0.02   0.02) =   0.011%
          QD1   LEU   73 - HN    ILE  119  15.30 +/- 3.92   1.930% *  0.0784% (0.17   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    CYS   21  15.49 +/- 3.32   0.931% *  0.1051% (0.22   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    ILE  119  15.85 +/- 2.63   0.568% *  0.0965% (0.20   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    ILE  119  14.99 +/- 2.75   0.583% *  0.0668% (0.14   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ILE  119  19.55 +/- 3.03   0.408% *  0.0668% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ILE  119  19.63 +/- 2.82   0.384% *  0.0295% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.59 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 = 0.314, support = 5.46, residual support = 53.8:
          HN    THR  118 - HN    ILE  119   2.56 +/- 0.10  79.175% * 45.9978% (0.28   5.87  59.97) =  86.037%  kept
          HN    GLN  116 - HN    ILE  119   4.76 +/- 0.27  12.652% * 45.0728% (0.53   3.04  16.02) =  13.472%  kept
          HN    GLU- 114 - HN    ILE  119   8.03 +/- 0.42   2.638% *  7.2703% (0.95   0.27   0.12) =   0.453%  kept
          HN    PHE   60 - HN    ILE  119   9.24 +/- 0.76   1.958% *  0.6222% (0.14   0.16   0.02) =   0.029%
          HN    LEU   71 - HN    ILE  119  18.53 +/- 2.68   0.260% *  0.5329% (0.95   0.02   0.02) =   0.003%
          HN    LEU   71 - HN    CYS   21  13.19 +/- 2.20   0.693% *  0.1684% (0.30   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    CYS   21  13.97 +/- 3.51   1.946% *  0.0241% (0.04   0.02   0.02) =   0.001%
          HN    GLU- 114 - HN    CYS   21  23.32 +/- 3.22   0.145% *  0.1684% (0.30   0.02   0.02) =   0.001%
          HN    GLN  116 - HN    CYS   21  21.28 +/- 3.68   0.256% *  0.0937% (0.17   0.02   0.02) =   0.001%
          HN    THR  118 - HN    CYS   21  21.08 +/- 3.67   0.277% *  0.0495% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.65, support = 2.92, residual support = 21.3:
          HN    HIS  122 - HN    ILE  119   5.26 +/- 0.12  19.213% * 78.3168% (1.00   2.89  19.73) =  54.866%  kept
          QE    PHE   59 - HN    ILE  119   3.34 +/- 0.45  67.272% * 18.1515% (0.22   3.00  23.33) =  44.525%  kept
          HN    PHE   59 - HN    ILE  119   7.87 +/- 0.87   6.218% *  2.5112% (0.57   0.16  23.33) =   0.569%  kept
          HH2   TRP   87 - HN    CYS   21  16.25 +/- 4.47   2.231% *  0.1714% (0.32   0.02   0.02) =   0.014%
          HH2   TRP   87 - HN    ILE  119  19.57 +/- 3.58   0.476% *  0.5423% (1.00   0.02   0.02) =   0.009%
          HN    HIS  122 - HN    CYS   21  19.98 +/- 5.27   1.107% *  0.1714% (0.32   0.02   0.02) =   0.007%
          HN    PHE   59 - HN    CYS   21  15.72 +/- 3.74   1.919% *  0.0972% (0.18   0.02   0.02) =   0.007%
          QE    PHE   59 - HN    CYS   21  15.65 +/- 3.30   1.564% *  0.0382% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.19 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 = 3.36, residual support = 16.5:
          HN    ALA   20 - HN    CYS   21   4.21 +/- 0.19  98.830% * 99.8121% (0.95   3.36  16.54) =  99.998%  kept
          HN    ALA   20 - HN    ILE  119  21.39 +/- 3.61   1.170% *  0.1879% (0.30   0.02   0.02) =   0.002%
    Distance limit 4.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 5.77, residual support = 52.2:
        T HN    ALA  120 - HN    ILE  119   2.65 +/- 0.15  82.036% * 94.4185% (1.00 10.00   5.80  52.42) =  99.297%  kept
          HE21  GLN  116 - HN    ILE  119   5.97 +/- 1.25  10.699% *  5.0917% (0.80  1.00   1.35  16.02) =   0.698%  kept
        T HN    ALA  120 - HN    CYS   21  21.40 +/- 4.73   0.518% *  0.2984% (0.32 10.00   0.02   0.02) =   0.002%
          HN    ALA   57 - HN    ILE  119  10.27 +/- 1.78   1.961% *  0.0686% (0.73  1.00   0.02   0.02) =   0.002%
          HN    ALA  124 - HN    ILE  119  10.60 +/- 0.39   1.302% *  0.0235% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  16.66 +/- 4.18   1.164% *  0.0217% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  22.59 +/- 4.69   0.264% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.95 +/- 1.91   1.004% *  0.0052% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  21.16 +/- 3.30   0.223% *  0.0187% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  23.23 +/- 6.51   0.497% *  0.0074% (0.08  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  23.36 +/- 3.21   0.145% *  0.0165% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  22.52 +/- 3.94   0.188% *  0.0059% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 5.6, residual support = 60.0:
          HB    THR  118 - HN    ILE  119   3.17 +/- 0.23  88.867% * 98.1512% (0.98   5.60  59.97) =  99.985%  kept
          QB    SER   13 - HN    CYS   21  14.07 +/- 3.47   4.690% *  0.0820% (0.23   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    ILE  119  17.49 +/- 2.36   0.650% *  0.3206% (0.90   0.02   0.02) =   0.002%
          HB    THR   39 - HN    CYS   21  15.43 +/- 3.84   1.330% *  0.0863% (0.24   0.02   0.02) =   0.001%
          HB    THR   39 - HN    ILE  119  22.22 +/- 3.58   0.357% *  0.2732% (0.76   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    CYS   21  16.96 +/- 3.15   0.941% *  0.1013% (0.28   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ILE  119  25.30 +/- 3.80   0.546% *  0.1469% (0.41   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    ILE  119  24.81 +/- 4.23   0.235% *  0.3206% (0.90   0.02   0.02) =   0.001%
          HB    THR  118 - HN    CYS   21  19.70 +/- 3.55   0.579% *  0.1107% (0.31   0.02   0.02) =   0.001%
          QB    SER   13 - HN    ILE  119  25.51 +/- 3.56   0.228% *  0.2595% (0.73   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    CYS   21  19.21 +/- 3.07   0.519% *  0.1013% (0.28   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    CYS   21  17.49 +/- 5.54   1.057% *  0.0464% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 8.62, residual support = 267.3:
          HG12  ILE  119 - HN    ILE  119   2.42 +/- 0.45  84.088% * 97.9302% (0.90   8.62 267.37) =  99.984%  kept
          HB2   ASP-  44 - HN    ILE  119  13.23 +/- 2.16   0.925% *  0.2273% (0.90   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    CYS   21  10.95 +/- 2.46   2.254% *  0.0718% (0.28   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    CYS   21  10.11 +/- 1.63   1.669% *  0.0773% (0.30   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    ILE  119  16.29 +/- 2.63   0.489% *  0.2446% (0.97   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    ILE  119   9.82 +/- 4.43   3.232% *  0.0343% (0.14   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   21  12.22 +/- 3.10   1.282% *  0.0739% (0.29   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    CYS   21  10.41 +/- 1.58   1.825% *  0.0421% (0.17   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ILE  119  17.71 +/- 2.39   0.288% *  0.2512% (0.99   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    CYS   21  18.30 +/- 4.03   0.749% *  0.0718% (0.28   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ILE  119  23.06 +/- 3.91   0.211% *  0.2340% (0.92   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ILE  119  17.21 +/- 2.57   0.471% *  0.1042% (0.41   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   21  13.52 +/- 1.79   0.732% *  0.0641% (0.25   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ILE  119  22.79 +/- 2.89   0.169% *  0.2029% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  18.92 +/- 3.27   0.330% *  0.0794% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  25.41 +/- 4.62   0.134% *  0.1333% (0.53   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  18.47 +/- 3.43   0.598% *  0.0273% (0.11   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  30.33 +/- 3.86   0.074% *  0.0865% (0.34   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  20.58 +/- 3.47   0.176% *  0.0329% (0.13   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.46 +/- 3.56   0.303% *  0.0108% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.57, residual support = 267.3:
      O   HB    ILE  119 - HN    ILE  119   2.36 +/- 0.17  83.092% * 99.0354% (0.92  10.0   7.57 267.37) =  99.993%  kept
          HG3   GLN   30 - HN    CYS   21   7.12 +/- 2.22   5.558% *  0.0336% (0.31   1.0   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    CYS   21   7.92 +/- 1.88   3.155% *  0.0313% (0.29   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ILE  119  12.82 +/- 2.38   0.648% *  0.0779% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ILE  119  11.32 +/- 1.43   0.841% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  12.14 +/- 2.52   0.829% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.14 +/- 4.46   0.302% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  21.57 +/- 4.50   0.280% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  15.67 +/- 1.56   0.368% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  19.63 +/- 4.09   0.233% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  19.89 +/- 4.65   0.562% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  20.81 +/- 4.66   0.335% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  23.24 +/- 4.06   0.101% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  11.18 +/- 0.73   0.866% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  19.67 +/- 3.82   0.273% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  11.02 +/- 0.82   0.869% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.84 +/- 2.02   0.233% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.61 +/- 1.17   0.485% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  17.35 +/- 2.78   0.417% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  22.36 +/- 2.87   0.113% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  23.14 +/- 3.23   0.107% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  21.79 +/- 2.46   0.132% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  26.96 +/- 4.33   0.081% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  24.39 +/- 3.78   0.120% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.912, support = 7.49, residual support = 242.2:
          HG13  ILE  119 - HN    ILE  119   3.30 +/- 0.67  36.556% * 85.2093% (0.99   7.94 267.37) =  90.107%  kept
          QB    ALA   20 - HN    CYS   21   3.45 +/- 0.26  32.047% *  8.0574% (0.19   3.89  16.54) =   7.470%  kept
          QG1   VAL  107 - HN    ILE  119   5.37 +/- 2.64  18.930% *  4.0372% (0.20   1.89   0.02) =   2.211%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.59 +/- 0.78   3.577% *  1.8708% (0.25   0.69   8.05) =   0.194%  kept
          HD3   LYS+ 112 - HN    ILE  119   9.45 +/- 1.51   1.837% *  0.1313% (0.61   0.02   0.02) =   0.007%
          HG13  ILE  119 - HN    CYS   21  18.08 +/- 4.41   1.712% *  0.0678% (0.31   0.02   0.02) =   0.003%
          QG1   VAL   24 - HN    CYS   21   8.25 +/- 0.97   2.613% *  0.0333% (0.15   0.02   0.02) =   0.003%
          HB3   LEU   31 - HN    ILE  119  21.65 +/- 4.78   0.319% *  0.2159% (1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    CYS   21  12.70 +/- 1.55   0.780% *  0.0682% (0.32   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    ILE  119  18.08 +/- 3.32   0.391% *  0.1313% (0.61   0.02   0.02) =   0.001%
          QG1   VAL   24 - HN    ILE  119  20.37 +/- 3.57   0.267% *  0.1053% (0.49   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  20.97 +/- 4.04   0.217% *  0.0415% (0.19   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  16.51 +/- 2.25   0.444% *  0.0135% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  21.85 +/- 5.14   0.309% *  0.0171% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.252, support = 1.38, residual support = 7.21:
          HG3   LYS+  74 - HN    CYS   21   6.88 +/- 3.30  27.327% * 38.3379% (0.23   1.51  10.13) =  67.704%  kept
          HB    VAL   75 - HN    CYS   21   9.08 +/- 2.24  10.531% * 36.9105% (0.24   1.38   1.40) =  25.118%  kept
          QG2   ILE  103 - HN    CYS   21  15.75 +/- 3.54   3.265% * 10.7480% (0.26   0.37   0.02) =   2.268%  kept
          QG2   ILE  103 - HN    ILE  119  12.31 +/- 2.99   7.982% *  1.8448% (0.84   0.02   0.02) =   0.952%  kept
          QD1   ILE  103 - HN    CYS   21  15.82 +/- 4.25   5.899% *  2.3230% (0.06   0.38   0.02) =   0.886%  kept
          QD2   LEU   40 - HN    ILE  119  13.62 +/- 3.70   6.500% *  2.0893% (0.95   0.02   0.02) =   0.878%  kept
          QD1   LEU   67 - HN    ILE  119  13.35 +/- 2.96   6.369% *  2.0388% (0.92   0.02   0.02) =   0.839%  kept
          HB    VAL   75 - HN    ILE  119  16.03 +/- 1.81   3.239% *  1.6879% (0.76   0.02   0.02) =   0.353%  kept
          QD1   LEU   67 - HN    CYS   21  11.33 +/- 1.75   7.137% *  0.6442% (0.29   0.02   0.02) =   0.297%  kept
          HG3   LYS+  74 - HN    ILE  119  18.82 +/- 2.97   2.184% *  1.6038% (0.73   0.02   0.02) =   0.226%  kept
          QD2   LEU   40 - HN    CYS   21  13.08 +/- 1.89   4.955% *  0.6602% (0.30   0.02   0.02) =   0.211%  kept
          QD2   LEU   71 - HN    CYS   21  10.50 +/- 2.71   8.711% *  0.1740% (0.08   0.02   0.02) =   0.098%
          QD1   ILE  103 - HN    ILE  119  15.01 +/- 2.68   3.708% *  0.3868% (0.18   0.02   0.02) =   0.093%
          QD2   LEU   71 - HN    ILE  119  17.03 +/- 2.53   2.193% *  0.5507% (0.25   0.02   0.02) =   0.078%
    Distance limit 3.60 A violated in 16 structures by 2.21 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.98, residual support = 60.0:
          QG2   THR  118 - HN    ILE  119   3.32 +/- 0.42  97.679% * 99.9095% (0.57   6.98  59.97) =  99.998%  kept
          QG2   THR  118 - HN    CYS   21  15.52 +/- 3.03   2.321% *  0.0905% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.38 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 = 0.793, support = 3.61, residual support = 42.0:
          QB    ALA  120 - HN    ILE  119   4.21 +/- 0.11  32.674% * 59.7017% (0.80   4.38  52.42) =  75.442%  kept
          HB3   LEU  115 - HN    ILE  119   5.41 +/- 1.00  18.562% * 17.3861% (0.95   1.08  10.06) =  12.481%  kept
          HG    LEU  115 - HN    ILE  119   5.80 +/- 0.63  13.439% * 15.5211% (0.80   1.14  10.06) =   8.067%  kept
          HG    LEU   73 - HN    CYS   21   5.97 +/- 2.44  19.810% *  5.1254% (0.15   1.96   9.38) =   3.927%  kept
          HG2   LYS+ 102 - HN    CYS   21  21.88 +/- 5.59   1.218% *  0.2825% (0.19   0.09   0.02) =   0.013%
          HG    LEU   40 - HN    ILE  119  16.63 +/- 4.17   0.978% *  0.3218% (0.95   0.02   0.02) =   0.012%
          HG    LEU   67 - HN    ILE  119  16.85 +/- 3.26   0.704% *  0.3372% (0.99   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    ILE  119  13.11 +/- 3.62   2.208% *  0.1050% (0.31   0.02   0.02) =   0.009%
          HB3   LEU   40 - HN    ILE  119  18.05 +/- 4.51   1.099% *  0.1926% (0.57   0.02   0.02) =   0.008%
          HG    LEU   73 - HN    ILE  119  17.97 +/- 4.41   1.242% *  0.1656% (0.49   0.02   0.02) =   0.008%
          HG    LEU   67 - HN    CYS   21  14.28 +/- 1.87   1.015% *  0.1066% (0.31   0.02   0.02) =   0.004%
          HG    LEU   40 - HN    CYS   21  14.69 +/- 1.82   0.897% *  0.1017% (0.30   0.02   0.02) =   0.004%
          QB    ALA  120 - HN    CYS   21  19.58 +/- 4.16   0.929% *  0.0861% (0.25   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ILE  119  21.57 +/- 4.23   0.318% *  0.2064% (0.61   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    CYS   21  18.85 +/- 3.14   0.594% *  0.1017% (0.30   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE  119  16.21 +/- 3.46   0.869% *  0.0596% (0.18   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    CYS   21  19.44 +/- 3.59   0.586% *  0.0861% (0.25   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    CYS   21  16.00 +/- 1.93   0.717% *  0.0609% (0.18   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    CYS   21  14.28 +/- 2.10   1.119% *  0.0332% (0.10   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  13.93 +/- 1.45   1.019% *  0.0188% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.995, support = 1.16, residual support = 1.39:
          QG2   VAL   75 - HN    CYS   21   7.17 +/- 2.28  52.185% * 97.4039% (1.00   1.17   1.40) =  99.224%  kept
          QG2   VAL   42 - HN    CYS   21  11.10 +/- 1.83  14.535% *  1.5741% (0.95   0.02   0.02) =   0.447%  kept
          QG2   VAL   42 - HN    ILE  119  11.56 +/- 3.35  21.292% *  0.4974% (0.30   0.02   0.02) =   0.207%  kept
          QG2   VAL   75 - HN    ILE  119  14.20 +/- 2.21  11.988% *  0.5246% (0.32   0.02   0.02) =   0.123%  kept
    Distance limit 4.51 A violated in 13 structures by 2.03 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   2.24 +/- 0.12  98.227% * 99.6430% (0.84  10.0   3.73  15.21) =  99.999%  kept
          QG2   VAL  107 - HN    ALA   20  17.16 +/- 1.71   0.257% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.70 +/- 4.24   0.434% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  13.08 +/- 1.12   0.556% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  22.77 +/- 4.72   0.171% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  19.46 +/- 3.79   0.355% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 3.64, residual support = 25.5:
          QG2   ILE   19 - HN    ALA   20   2.68 +/- 0.70  87.709% * 99.7523% (0.99   3.64  25.52) =  99.965%  kept
          QD1   LEU   98 - HN    ALA   20  14.56 +/- 3.90  12.291% *  0.2477% (0.45   0.02   0.02) =   0.035%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.964, support = 5.9, residual support = 169.1:
      O   HB    ILE   19 - HN    ILE   19   2.59 +/- 0.52  84.399% * 94.6147% (0.97  10.0   5.93 170.05) =  99.463%  kept
          HB2   GLN   17 - HN    ILE   19   6.32 +/- 0.50   8.737% *  4.8899% (0.73   1.0   1.37   0.02) =   0.532%  kept
          QB    GLU-  15 - HN    ILE   19   9.05 +/- 0.84   2.585% *  0.0712% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    ILE   19  14.50 +/- 1.82   0.746% *  0.0879% (0.90   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    ILE   19  14.59 +/- 3.20   0.722% *  0.0905% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    ILE   19  18.36 +/- 3.03   1.248% *  0.0273% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  14.27 +/- 3.98   0.914% *  0.0334% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  21.54 +/- 1.61   0.215% *  0.0972% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  25.15 +/- 3.04   0.151% *  0.0634% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  19.83 +/- 1.76   0.284% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.73, support = 5.68, residual support = 143.5:
          HG12  ILE   19 - HN    ILE   19   2.97 +/- 0.85  53.420% * 62.5702% (0.73   6.24 170.05) =  83.828%  kept
          HG    LEU   73 - HN    ILE   19   6.88 +/- 3.66  18.751% * 31.7095% (0.80   2.87   5.82) =  14.912%  kept
          HB3   LYS+  74 - HN    ILE   19   7.81 +/- 4.38  12.190% *  3.9040% (0.18   1.62   8.14) =   1.194%  kept
          HB3   LEU   67 - HN    ILE   19  10.79 +/- 3.07   2.577% *  0.2760% (1.00   0.02   0.02) =   0.018%
          QB    ALA   61 - HN    ILE   19   9.85 +/- 2.71   2.421% *  0.2664% (0.97   0.02   0.02) =   0.016%
          QG    LYS+  66 - HN    ILE   19  12.44 +/- 2.47   1.335% *  0.2611% (0.95   0.02   0.02) =   0.009%
          HG    LEU   80 - HN    ILE   19  16.16 +/- 7.46   1.057% *  0.2305% (0.84   0.02   0.02) =   0.006%
          HG    LEU   40 - HN    ILE   19  11.50 +/- 3.02   2.472% *  0.0852% (0.31   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    ILE   19  11.08 +/- 3.62   3.389% *  0.0614% (0.22   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    ILE   19  21.07 +/- 4.40   0.577% *  0.1896% (0.69   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ILE   19  15.90 +/- 6.44   0.971% *  0.0852% (0.31   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    ILE   19  20.77 +/- 2.39   0.214% *  0.2210% (0.80   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ILE   19  19.19 +/- 1.75   0.289% *  0.0852% (0.31   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    ILE   19  20.36 +/- 3.77   0.336% *  0.0546% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.79, residual support = 165.5:
          HG13  ILE   19 - HN    ILE   19   3.33 +/- 0.57  65.722% * 81.9711% (0.97   5.93 170.05) =  97.251%  kept
          HG    LEU   71 - HN    ILE   19   9.49 +/- 5.61  10.238% *  7.9165% (0.98   0.56   0.82) =   1.463%  kept
          HG2   LYS+  74 - HN    ILE   19   9.05 +/- 4.23   7.633% *  9.0097% (0.99   0.64   8.14) =   1.241%  kept
          QG2   THR   39 - HN    ILE   19  10.08 +/- 4.37   8.774% *  0.1967% (0.69   0.02   0.02) =   0.031%
          HG3   LYS+  99 - HN    ILE   19  17.46 +/- 3.49   1.070% *  0.2857% (1.00   0.02   0.02) =   0.006%
          QB    ALA   34 - HN    ILE   19   9.15 +/- 1.93   3.740% *  0.0387% (0.14   0.02   0.02) =   0.003%
          HG3   LYS+  38 - HN    ILE   19  16.66 +/- 2.83   0.755% *  0.1177% (0.41   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    ILE   19  19.47 +/- 2.39   0.440% *  0.1967% (0.69   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    ILE   19  15.26 +/- 2.12   0.999% *  0.0714% (0.25   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    ILE   19  19.54 +/- 3.50   0.442% *  0.1075% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    ILE   19  25.98 +/- 2.80   0.187% *  0.0884% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.353, support = 4.66, residual support = 21.6:
          QG1   VAL   18 - HN    ILE   19   3.10 +/- 0.47  76.747% * 70.5643% (0.34   4.85  22.62) =  95.481%  kept
          QD1   LEU   71 - HN    ILE   19   8.85 +/- 4.90  13.524% * 13.2425% (0.69   0.45   0.82) =   3.157%  kept
          QG1   VAL   70 - HN    ILE   19   9.36 +/- 2.67   5.188% * 14.5206% (0.45   0.76   0.12) =   1.328%  kept
          QD1   LEU  123 - HN    ILE   19  15.70 +/- 4.20   1.265% *  0.5860% (0.69   0.02   0.02) =   0.013%
          QD2   LEU  123 - HN    ILE   19  16.46 +/- 4.93   2.792% *  0.2633% (0.31   0.02   0.02) =   0.013%
          HB3   LEU  104 - HN    ILE   19  18.50 +/- 2.96   0.484% *  0.8233% (0.97   0.02   0.02) =   0.007%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.781, support = 4.91, residual support = 80.4:
          QG2   VAL   18 - HN    ILE   19   3.62 +/- 0.79  32.238% * 56.8290% (0.97   4.79  22.62) =  56.899%  kept
          QD1   ILE   19 - HN    ILE   19   3.55 +/- 0.86  34.083% * 37.3914% (0.57   5.37 170.05) =  39.580%  kept
          QD2   LEU   73 - HN    ILE   19   5.48 +/- 3.05  22.652% *  4.9099% (0.22   1.79   5.82) =   3.454%  kept
          QG1   VAL   41 - HN    ILE   19   9.64 +/- 3.55   4.688% *  0.2205% (0.90   0.02   0.02) =   0.032%
          QG1   VAL   43 - HN    ILE   19  10.37 +/- 3.89   2.866% *  0.2437% (0.99   0.02   0.02) =   0.022%
          QG2   THR   46 - HN    ILE   19  12.49 +/- 3.03   1.029% *  0.2205% (0.90   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    ILE   19  10.28 +/- 1.38   1.684% *  0.0839% (0.34   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    ILE   19  14.55 +/- 2.78   0.760% *  0.1011% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.713, support = 4.38, residual support = 23.0:
          HG12  ILE   19 - HN    ALA   20   4.70 +/- 0.68  36.845% * 79.4848% (0.73   4.81  25.52) =  89.325%  kept
          HG    LEU   73 - HN    ALA   20   7.28 +/- 2.64  17.908% * 13.4138% (0.80   0.74   0.02) =   7.327%  kept
          HB3   LYS+  74 - HN    ALA   20   6.73 +/- 3.70  25.196% *  4.1075% (0.18   1.03   6.87) =   3.157%  kept
          QB    ALA   61 - HN    ALA   20  10.70 +/- 2.49   5.280% *  0.4391% (0.97   0.02   0.02) =   0.071%
          HB3   LEU   67 - HN    ALA   20  13.04 +/- 1.74   2.259% *  0.4550% (1.00   0.02   0.02) =   0.031%
          HG    LEU   80 - HN    ALA   20  15.41 +/- 6.68   2.510% *  0.3800% (0.84   0.02   0.02) =   0.029%
          QG    LYS+  66 - HN    ALA   20  13.80 +/- 1.97   1.659% *  0.4304% (0.95   0.02   0.02) =   0.022%
          HB2   LEU   80 - HN    ALA   20  15.26 +/- 5.58   1.937% *  0.1404% (0.31   0.02   0.02) =   0.008%
          HG    LEU   67 - HN    ALA   20  13.43 +/- 2.18   2.545% *  0.1013% (0.22   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HN    ALA   20  22.92 +/- 5.16   0.772% *  0.3125% (0.69   0.02   0.02) =   0.007%
          HG    LEU   40 - HN    ALA   20  14.30 +/- 1.82   1.478% *  0.1404% (0.31   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    ALA   20  21.70 +/- 2.92   0.439% *  0.3643% (0.80   0.02   0.02) =   0.005%
          HB3   LEU  115 - HN    ALA   20  20.60 +/- 2.94   0.564% *  0.1404% (0.31   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    ALA   20  22.26 +/- 4.40   0.607% *  0.0900% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.59, support = 2.5, residual support = 7.26:
          HG    LEU   73 - HN    CYS   21   5.97 +/- 2.44  17.894% * 37.0354% (0.80   1.96   9.38) =  43.766%  kept
          HB3   LYS+  74 - HN    CYS   21   5.58 +/- 3.85  24.780% * 16.1444% (0.18   3.90  10.13) =  26.420%  kept
          HG12  ILE   19 - HN    CYS   21   6.87 +/- 1.07  10.470% * 37.9601% (0.73   2.21   0.63) =  26.248%  kept
          HB3   LEU  115 - HN    ILE  119   5.41 +/- 1.00  16.701% *  2.4879% (0.10   1.08  10.06) =   2.744%  kept
          HD3   LYS+ 121 - HN    ILE  119   7.45 +/- 1.00   5.882% *  1.0237% (0.06   0.69   8.05) =   0.398%  kept
          QB    ALA   61 - HN    CYS   21  10.17 +/- 2.12   3.231% *  0.4557% (0.97   0.02   0.02) =   0.097%
          HG2   LYS+ 102 - HN    CYS   21  21.88 +/- 5.59   0.967% *  1.4051% (0.69   0.09   0.02) =   0.090%
          HG    LEU   80 - HN    CYS   21  13.18 +/- 7.07   2.200% *  0.3944% (0.84   0.02   0.02) =   0.057%
          QG    LYS+  66 - HN    CYS   21  14.28 +/- 2.10   0.867% *  0.4467% (0.95   0.02   0.02) =   0.026%
          QB    ALA   61 - HN    ILE  119  10.25 +/- 1.19   2.601% *  0.1440% (0.30   0.02   0.02) =   0.025%
          HB3   LEU   67 - HN    CYS   21  13.93 +/- 1.45   0.734% *  0.4722% (1.00   0.02   0.02) =   0.023%
          QB    ALA  110 - HN    ILE  119  10.22 +/- 0.89   1.924% *  0.1195% (0.25   0.02   0.02) =   0.015%
          QG    LYS+  66 - HN    ILE  119  13.11 +/- 3.62   1.559% *  0.1412% (0.30   0.02   0.02) =   0.015%
          HB2   LEU   80 - HN    CYS   21  13.09 +/- 5.91   1.491% *  0.1458% (0.31   0.02   0.02) =   0.014%
          HG    LEU   73 - HN    ILE  119  17.97 +/- 4.41   1.332% *  0.1195% (0.25   0.02   0.02) =   0.011%
          HG    LEU   40 - HN    CYS   21  14.69 +/- 1.82   0.800% *  0.1458% (0.31   0.02   0.02) =   0.008%
          QB    ALA  110 - HN    CYS   21  19.96 +/- 2.77   0.306% *  0.3781% (0.80   0.02   0.02) =   0.008%
          HB3   LEU   67 - HN    ILE  119  16.21 +/- 3.46   0.689% *  0.1492% (0.32   0.02   0.02) =   0.007%
          HB3   LEU  115 - HN    CYS   21  18.85 +/- 3.14   0.600% *  0.1458% (0.31   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    ILE  119  22.98 +/- 4.06   0.659% *  0.1246% (0.26   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    CYS   21  14.28 +/- 1.87   0.754% *  0.1051% (0.22   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    CYS   21  21.26 +/- 4.76   0.501% *  0.0935% (0.20   0.02   0.02) =   0.003%
          HG12  ILE   19 - HN    ILE  119  20.93 +/- 3.53   0.384% *  0.1084% (0.23   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ILE  119  16.63 +/- 4.17   0.863% *  0.0461% (0.10   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ILE  119  21.57 +/- 4.23   0.284% *  0.1025% (0.22   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ILE  119  22.05 +/- 3.53   0.538% *  0.0461% (0.10   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE  119  16.85 +/- 3.26   0.579% *  0.0332% (0.07   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ILE  119  18.73 +/- 2.91   0.412% *  0.0261% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.15, residual support = 85.2:
      O   QG    GLN   17 - HE21  GLN   17   2.24 +/- 0.17  90.074% * 99.5957% (0.48  10.0   3.15  85.22) =  99.990%  kept
          HB2   GLU-  25 - HE21  GLN   17  18.80 +/- 5.17   6.047% *  0.1161% (0.57   1.0   0.02   0.02) =   0.008%
          HG3   GLU-  29 - HE21  GLN   17  17.87 +/- 5.39   2.388% *  0.0403% (0.20   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HE21  GLN   17  12.95 +/- 3.18   0.757% *  0.0879% (0.43   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HE21  GLN   17  18.48 +/- 4.42   0.336% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  20.46 +/- 4.55   0.338% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  29.02 +/- 5.25   0.060% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.53, residual support = 50.3:
        T HN    VAL   18 - HN    GLN   17   4.46 +/- 0.08  85.335% * 99.9055% (0.73 10.00   5.53  50.34) =  99.984%  kept
          HN    SER   13 - HN    GLN   17   9.42 +/- 1.58  14.665% *  0.0945% (0.69  1.00   0.02   0.02) =   0.016%
    Distance limit 4.34 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 = 5.53, residual support = 50.3:
        T HN    GLN   17 - HN    VAL   18   4.46 +/- 0.08  91.135% * 99.7850% (0.89 10.00   5.53  50.34) =  99.989%  kept
          HD21  ASN   69 - HN    VAL   18  13.35 +/- 4.67   7.283% *  0.1079% (0.96  1.00   0.02   0.02) =   0.009%
          HN    TRP   87 - HN    VAL   18  21.97 +/- 4.80   1.582% *  0.1071% (0.96  1.00   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.413, support = 3.36, residual support = 8.09:
        T HN    LYS+  74 - HN    ILE   19   6.60 +/- 4.77  64.971% * 95.8527% (0.41 10.00   3.38   8.14) =  99.403%  kept
          HN    THR   46 - HN    ILE   19  15.05 +/- 3.79   9.288% *  3.8402% (0.84  1.00   0.39   0.02) =   0.569%  kept
          HN    MET   92 - HN    ILE   19  22.30 +/- 3.59   3.790% *  0.2250% (0.97  1.00   0.02   0.02) =   0.014%
          HN    ASP- 113 - HN    ILE   19  24.24 +/- 2.52  10.110% *  0.0461% (0.20  1.00   0.02   0.02) =   0.007%
          HN    MET   11 - HN    ILE   19  18.70 +/- 3.42  11.841% *  0.0360% (0.15  1.00   0.02   0.02) =   0.007%
    Distance limit 4.53 A violated in 7 structures by 2.11 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.855, support = 2.84, residual support = 2.8:
          HN    THR   26 - HN    VAL   24   4.35 +/- 0.22  73.169% * 94.0229% (0.87   2.88   2.77) =  98.080%  kept
          HN    LEU   80 - HN    VAL   24  12.41 +/- 6.34  24.002% *  5.5923% (0.20   0.75   4.26) =   1.914%  kept
          HN    CYS   53 - HN    VAL   24  21.60 +/- 4.07   0.899% *  0.2828% (0.38   0.02   0.02) =   0.004%
          HN    ALA   34 - HN    VAL   24  14.67 +/- 0.47   1.930% *  0.1020% (0.14   0.02   0.02) =   0.003%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.971, support = 4.32, residual support = 25.5:
          HN    THR   23 - HN    VAL   24   3.91 +/- 0.50  72.583% * 88.8817% (0.98   4.38  25.76) =  98.429%  kept
          HD2   HIS   22 - HN    VAL   24   8.14 +/- 1.38  10.144% *  6.2524% (0.22   1.36   0.02) =   0.968%  kept
          HE3   TRP   27 - HN    VAL   24   8.12 +/- 0.54  10.165% *  3.6830% (0.76   0.23  26.62) =   0.571%  kept
          HN    LEU   67 - HN    VAL   24  18.17 +/- 4.78   4.281% *  0.2846% (0.69   0.02   0.02) =   0.019%
          QE    PHE   95 - HN    VAL   24  16.65 +/- 1.91   1.295% *  0.4107% (0.99   0.02   0.02) =   0.008%
          QD    PHE   55 - HN    VAL   24  21.56 +/- 4.57   0.679% *  0.3461% (0.84   0.02   0.02) =   0.004%
          HD1   TRP   49 - HN    VAL   24  21.26 +/- 3.50   0.854% *  0.1414% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.59 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 = 5.59:
          HE1   TRP   87 - HE1   TRP   27  11.09 +/- 7.30 100.000% *100.0000% (0.53   0.75   5.59) = 100.000%  kept
    Distance limit 4.11 A violated in 13 structures by 7.19 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 4.78, residual support = 21.2:
        T HN    ALA   34 - HN    ASN   35   2.73 +/- 0.07  86.459% * 97.1480% (0.98 10.00   4.79  21.26) =  99.713%  kept
          HN    GLN   32 - HN    ASN   35   5.19 +/- 0.28  12.922% *  1.8455% (0.53  1.00   0.71   3.52) =   0.283%  kept
        T HN    LEU   80 - HN    ASN   35  22.00 +/- 4.55   0.317% *  0.9149% (0.92 10.00   0.02   0.02) =   0.003%
          HN    CYS   53 - HN    ASN   35  27.32 +/- 3.24   0.134% *  0.0720% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  24.12 +/- 4.42   0.167% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 19.0:
        T HN    SER   37 - HN    GLU-  36   2.53 +/- 0.22  99.339% * 99.7690% (0.98 10.00   4.47  19.00) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.99 +/- 2.02   0.392% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  25.83 +/- 4.78   0.149% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  25.08 +/- 2.87   0.119% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 5.28, residual support = 23.1:
        T HN    LYS+  38 - HN    THR   39   2.73 +/- 0.14  97.116% * 99.8693% (1.00 10.00   5.28  23.11) =  99.999%  kept
          HN    LEU   31 - HN    THR   39   9.77 +/- 0.87   2.327% *  0.0278% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    THR   39  18.71 +/- 2.63   0.405% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  26.39 +/- 3.63   0.152% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 15.5:
          HN    MET   96 - HN    VAL   43   4.37 +/- 1.79  74.605% * 98.0998% (0.76   4.00  15.57) =  99.345%  kept
          HN    PHE   72 - HN    VAL   43   8.46 +/- 1.85  25.395% *  1.9002% (0.22   0.27   0.02) =   0.655%  kept
    Distance limit 3.86 A violated in 2 structures by 0.52 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 3.32, residual support = 2.94:
          HN    LEU   73 - HN    ASP-  44   6.02 +/- 2.05  48.518% * 69.9170% (0.38   3.98   3.89) =  71.345%  kept
          HN    VAL   42 - HN    ASP-  44   6.00 +/- 0.70  46.583% * 29.1500% (0.38   1.66   0.56) =  28.559%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.97 +/- 1.37   4.899% *  0.9330% (1.00   0.02   0.02) =   0.096%
    Distance limit 4.31 A violated in 1 structures by 0.68 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.68, residual support = 32.9:
          HN    VAL   42 - HN    VAL   43   4.27 +/- 0.21  63.885% * 66.9822% (0.38   6.28  39.57) =  81.487%  kept
          HN    LEU   73 - HN    VAL   43   6.73 +/- 2.36  29.849% * 32.4507% (0.38   3.04   3.58) =  18.445%  kept
          HN    LYS+ 106 - HN    VAL   43  10.43 +/- 1.91   6.266% *  0.5671% (1.00   0.02   0.02) =   0.068%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.827, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44   8.87 +/- 1.28  45.489% * 15.3753% (0.65   0.02   0.02) =  36.957%  kept
          HN    ALA   84 - HN    ASP-  44  11.41 +/- 1.92  26.630% * 23.7147% (1.00   0.02   0.02) =  33.370%  kept
          HN    ILE   56 - HN    ASP-  44  13.40 +/- 1.38  13.691% * 18.1638% (0.76   0.02   0.02) =  13.141%  kept
          HN    LYS+ 111 - HN    ASP-  44  16.57 +/- 2.51   9.144% * 23.7147% (1.00   0.02   0.02) =  11.458%  kept
          HE21  GLN   32 - HN    ASP-  44  19.12 +/- 1.88   5.046% * 19.0315% (0.80   0.02   0.02) =   5.074%  kept
    Distance limit 4.30 A violated in 20 structures by 3.80 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.585, support = 0.548, residual support = 1.34:
          QD    PHE   60 - HN    ASP-  44   6.83 +/- 1.90  44.182% * 36.6754% (0.41   0.75   2.16) =  61.710%  kept
          QE    PHE   59 - HN    ASP-  44  10.43 +/- 2.43  21.598% * 22.0842% (0.92   0.20   0.02) =  18.165%  kept
          HN    LYS+  66 - HN    ASP-  44  10.73 +/- 1.74  14.696% * 27.3289% (0.90   0.26   0.02) =  15.295%  kept
          HN    PHE   59 - HN    ASP-  44  11.81 +/- 1.38   9.081% * 13.5444% (0.57   0.20   0.02) =   4.684%  kept
          HN    LYS+  81 - HN    ASP-  44  13.25 +/- 2.37  10.443% *  0.3671% (0.15   0.02   0.02) =   0.146%  kept
    Distance limit 4.60 A violated in 10 structures by 1.42 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.722, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  14.05 +/- 2.01  44.752% * 36.0114% (0.77   0.02   0.02) =  48.340%  kept
          HN    GLN   17 - HN    ASP-  62  15.46 +/- 2.64  35.623% * 29.1578% (0.63   0.02   0.02) =  31.156%  kept
          HN    TRP   87 - HN    ASP-  62  19.31 +/- 2.03  19.625% * 34.8308% (0.75   0.02   0.02) =  20.504%  kept
    Distance limit 3.48 A violated in 20 structures by 9.04 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.79, residual support = 41.9:
        T HN    LEU   63 - HN    ASP-  62   2.64 +/- 0.20  96.422% * 72.3238% (0.32 10.00   5.84  42.31) =  99.023%  kept
        T HN    ILE   56 - HN    ASP-  62   9.23 +/- 0.75   2.529% * 27.1530% (0.42 10.00   0.58   0.02) =   0.975%  kept
          HN    LYS+ 111 - HN    ASP-  62  15.99 +/- 2.12   0.534% *  0.1672% (0.75  1.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ASP-  62  18.79 +/- 1.94   0.323% *  0.1672% (0.75  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ASP-  62  23.89 +/- 4.06   0.193% *  0.1889% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.935, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   9.80 +/- 2.08  86.068% * 48.0011% (0.92   0.02   0.02) =  85.081%  kept
          HN    ALA  110 - HN    LEU   73  20.30 +/- 3.20  13.932% * 51.9989% (1.00   0.02   0.02) =  14.919%  kept
    Distance limit 4.06 A violated in 20 structures by 5.69 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.484, support = 3.67, residual support = 16.4:
          HN    VAL   75 - HN    ASP-  76   4.34 +/- 0.17  61.328% * 40.9421% (0.28   4.64  26.47) =  53.955%  kept
          HN    ASP-  78 - HN    ASP-  76   5.22 +/- 0.35  36.561% * 58.5965% (0.73   2.54   4.59) =  46.035%  kept
          HN    LYS+ 112 - HN    ASP-  76  18.85 +/- 3.05   1.142% *  0.2848% (0.45   0.02   0.02) =   0.007%
          HN    MET   11 - HN    ASP-  76  26.69 +/- 5.64   0.969% *  0.1766% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.67 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 = 28.6:
        T HN    LYS+ 111 - HN    LYS+ 112   4.45 +/- 0.07  81.203% * 97.6939% (0.87 10.00   5.34  28.70) =  99.682%  kept
          HN    ILE   56 - HN    LYS+ 112   9.85 +/- 2.76  12.117% *  2.0558% (0.49  1.00   0.75   5.39) =   0.313%  kept
          HN    LEU   63 - HN    LYS+ 112  14.80 +/- 2.59   5.198% *  0.0423% (0.38  1.00   0.02   0.02) =   0.003%
          HN    ALA   84 - HN    LYS+ 112  19.83 +/- 3.00   1.208% *  0.0977% (0.87  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    LYS+ 112  32.21 +/- 4.34   0.273% *  0.1104% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.492, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HN    GLN  116  11.54 +/- 1.73  25.519% * 26.8436% (0.65   0.02   0.02) =  42.149%  kept
          QD    PHE   55 - HN    GLN  116   7.97 +/- 2.27  56.288% * 11.5373% (0.28   0.02   0.02) =  39.957%  kept
          HN    LYS+  81 - HN    GLN  116  23.40 +/- 2.42   3.698% * 39.2529% (0.95   0.02   0.02) =   8.930%  kept
          HN    LYS+  66 - HN    GLN  116  16.37 +/- 2.72  10.013% *  8.2119% (0.20   0.02   0.02) =   5.059%  kept
          HE3   TRP   27 - HN    GLN  116  21.11 +/- 3.09   4.483% * 14.1544% (0.34   0.02   0.02) =   3.904%  kept
    Distance limit 4.38 A violated in 17 structures by 3.08 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.787, support = 6.05, residual support = 46.9:
      O   HA    ILE  119 - HN    ALA  120   3.59 +/- 0.02  56.710% * 84.6346% (0.80  10.0   6.26  52.42) =  89.409%  kept
          HA    THR  118 - HN    ALA  120   4.16 +/- 0.35  37.569% * 15.1286% (0.67   1.0   4.27   0.44) =  10.588%  kept
          HD3   PRO   58 - HN    ALA  120  10.85 +/- 1.85   3.392% *  0.0193% (0.18   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA  120  14.43 +/- 2.64   1.327% *  0.0401% (0.38   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA  120  22.60 +/- 2.78   0.299% *  0.0781% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  21.77 +/- 2.15   0.296% *  0.0592% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  19.60 +/- 2.32   0.407% *  0.0401% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.921, support = 0.986, residual support = 5.14:
          HA    SER  117 - HN    ALA  120   3.60 +/- 0.21  94.214% * 96.3260% (0.92   0.99   5.15) =  99.942%  kept
          HA    ASP-  62 - HN    ALA  120  12.80 +/- 1.39   2.451% *  1.0301% (0.49   0.02   0.02) =   0.028%
          HA    ALA   57 - HN    ALA  120  13.12 +/- 1.51   2.250% *  0.8049% (0.38   0.02   0.02) =   0.020%
          HB    THR   26 - HN    ALA  120  25.31 +/- 4.77   0.498% *  1.4962% (0.71   0.02   0.02) =   0.008%
          HA1   GLY   51 - HN    ALA  120  20.38 +/- 2.40   0.587% *  0.3429% (0.16   0.02   0.02) =   0.002%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.18, residual support = 113.2:
      O   HG3   GLN  116 - HE21  GLN  116   3.39 +/- 0.42  98.741% * 99.8198% (0.69  10.0   4.18 113.21) =  99.999%  kept
          HB3   TRP   87 - HE21  GLN  116  21.82 +/- 2.17   0.416% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  19.16 +/- 1.58   0.637% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  31.79 +/- 5.25   0.206% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 0.691, support = 3.51, residual support = 89.7:
          HB3   LEU  115 - HE21  GLN  116   7.93 +/- 1.42  17.874% * 60.4198% (0.95   3.61 102.50) =  52.386%  kept
          HG    LEU  115 - HE21  GLN  116   7.15 +/- 1.34  23.050% * 31.3923% (0.41   4.32 102.50) =  35.099%  kept
          QB    ALA  120 - HE21  GLN  116   5.48 +/- 1.75  41.426% *  6.1582% (0.41   0.85   0.15) =  12.375%  kept
          QG    LYS+  66 - HE21  GLN  116  14.98 +/- 3.67   3.382% *  0.2430% (0.69   0.02   0.02) =   0.040%
          QB    ALA   61 - HE21  GLN  116  12.03 +/- 2.20   4.324% *  0.1207% (0.34   0.02   0.02) =   0.025%
          HG    LEU   40 - HE21  GLN  116  20.42 +/- 3.90   1.097% *  0.3347% (0.95   0.02   0.02) =   0.018%
          HG    LEU   73 - HE21  GLN  116  21.44 +/- 4.57   0.962% *  0.3069% (0.87   0.02   0.02) =   0.014%
          QB    ALA  110 - HE21  GLN  116  11.38 +/- 1.20   4.131% *  0.0620% (0.18   0.02   0.02) =   0.012%
          HG    LEU   67 - HE21  GLN  116  19.71 +/- 2.66   0.747% *  0.3069% (0.87   0.02   0.02) =   0.011%
          HB3   LEU   67 - HE21  GLN  116  18.99 +/- 2.78   0.913% *  0.1722% (0.49   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HE21  GLN  116  25.86 +/- 3.02   0.334% *  0.3347% (0.95   0.02   0.02) =   0.005%
          HB3   LEU   40 - HE21  GLN  116  21.93 +/- 4.47   1.126% *  0.0788% (0.22   0.02   0.02) =   0.004%
          HG    LEU   80 - HE21  GLN  116  25.95 +/- 4.52   0.634% *  0.0700% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.71 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.507, support = 1.43, residual support = 0.795:
          QB    GLU- 114 - HN    SER  117   4.82 +/- 0.29  45.947% * 64.4971% (0.61   1.37   0.87) =  74.848%  kept
          HB    ILE  119 - HN    SER  117   5.13 +/- 0.39  38.667% * 25.2246% (0.20   1.64   0.59) =  24.635%  kept
          HB2   LYS+ 111 - HN    SER  117   8.44 +/- 1.17  10.343% *  1.5488% (1.00   0.02   0.02) =   0.405%  kept
          HB3   PRO   68 - HN    SER  117  22.44 +/- 4.18   0.731% *  1.2965% (0.84   0.02   0.02) =   0.024%
          HG2   PRO   68 - HN    SER  117  21.31 +/- 5.03   1.055% *  0.6959% (0.45   0.02   0.02) =   0.019%
          HB2   GLN   17 - HN    SER  117  25.21 +/- 2.74   0.377% *  1.5488% (1.00   0.02   0.02) =   0.015%
          QB    GLU-  15 - HN    SER  117  25.71 +/- 3.00   0.362% *  1.5488% (1.00   0.02   0.02) =   0.014%
          HG3   GLN   30 - HN    SER  117  24.31 +/- 4.20   0.676% *  0.6959% (0.45   0.02   0.02) =   0.012%
          HB    ILE   19 - HN    SER  117  22.93 +/- 2.90   0.535% *  0.8166% (0.53   0.02   0.02) =   0.011%
          HB3   GLU-  25 - HN    SER  117  29.31 +/- 3.86   0.256% *  1.4329% (0.92   0.02   0.02) =   0.009%
          HB2   GLN   30 - HN    SER  117  23.82 +/- 3.98   0.670% *  0.3072% (0.20   0.02   0.02) =   0.005%
          HB3   GLU- 100 - HN    SER  117  25.18 +/- 3.27   0.381% *  0.3870% (0.25   0.02   0.02) =   0.004%
    Distance limit 4.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.868, support = 2.48, residual support = 2.84:
          HG    LEU  115 - HN    SER  117   5.43 +/- 0.70  31.059% * 41.1274% (0.84   2.94   2.29) =  42.857%  kept
          HB3   LEU  115 - HN    SER  117   5.51 +/- 0.39  27.767% * 40.4344% (0.92   2.61   2.29) =  37.670%  kept
          QB    ALA  120 - HN    SER  117   5.15 +/- 0.51  33.846% * 17.1119% (0.84   1.22   5.15) =  19.431%  kept
          HG    LEU   40 - HN    SER  117  19.25 +/- 3.53   0.966% *  0.3094% (0.92   0.02   0.02) =   0.010%
          HG    LEU   67 - HN    SER  117  19.59 +/- 3.45   0.852% *  0.3286% (0.98   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    SER  117  15.56 +/- 3.72   2.284% *  0.0932% (0.28   0.02   0.02) =   0.007%
          HB3   LEU   40 - HN    SER  117  20.64 +/- 3.94   0.893% *  0.2033% (0.61   0.02   0.02) =   0.006%
          HG    LEU   73 - HN    SER  117  20.55 +/- 4.13   0.921% *  0.1503% (0.45   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    SER  117  23.00 +/- 3.46   0.437% *  0.1898% (0.57   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    SER  117  19.01 +/- 3.54   0.974% *  0.0517% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.984, support = 3.3, residual support = 15.5:
          HB2   PHE   97 - HN    LEU  104   3.28 +/- 0.69  69.740% * 79.8062% (1.00   3.43  16.23) =  94.919%  kept
          QE    LYS+ 106 - HN    LEU  104   6.10 +/- 1.02  17.075% * 15.6965% (0.76   0.88   0.02) =   4.571%  kept
          QE    LYS+  99 - HN    LEU  104   7.72 +/- 0.87   7.583% *  3.6899% (0.38   0.42  18.82) =   0.477%  kept
          HB3   TRP   27 - HN    LEU  104  16.99 +/- 3.71   3.517% *  0.4620% (0.99   0.02   0.02) =   0.028%
          HB3   PHE   60 - HN    LEU  104  16.24 +/- 2.17   0.841% *  0.2639% (0.57   0.02   0.02) =   0.004%
          QE    LYS+  38 - HN    LEU  104  15.96 +/- 2.95   1.244% *  0.0816% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.926, support = 5.33, residual support = 36.3:
          HG12  ILE  103 - HN    LEU  104   4.19 +/- 0.36  53.333% * 83.1682% (0.97   5.62  39.44) =  91.976%  kept
          QB    LYS+ 102 - HN    LEU  104   5.63 +/- 0.49  24.872% * 15.3227% (0.49   2.05   0.39) =   7.902%  kept
          HB    VAL   41 - HN    LEU  104  10.38 +/- 3.78   9.710% *  0.3069% (1.00   0.02   0.02) =   0.062%
          QB    LYS+  66 - HN    LEU  104  15.58 +/- 4.04   6.803% *  0.2903% (0.95   0.02   0.02) =   0.041%
          HG2   PRO   93 - HN    LEU  104  17.25 +/- 1.77   1.149% *  0.2229% (0.73   0.02   0.02) =   0.005%
          HG    LEU  123 - HN    LEU  104  17.97 +/- 4.80   0.971% *  0.2346% (0.76   0.02   0.02) =   0.005%
          QB    LYS+  65 - HN    LEU  104  16.18 +/- 2.67   1.301% *  0.1152% (0.38   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    LEU  104  21.54 +/- 3.10   0.610% *  0.2346% (0.76   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    LEU  104  16.01 +/- 3.11   1.250% *  0.1047% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.62 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 = 2.01, residual support = 30.0:
          QB    LEU   98 - HN    ILE  103   4.20 +/- 1.13  79.471% * 90.0836% (0.61   2.02  30.11) =  99.703%  kept
          HD3   LYS+ 121 - HN    ILE  103  15.49 +/- 7.11   3.926% *  1.3186% (0.90   0.02   0.02) =   0.072%
          QB    ALA  110 - HN    ILE  103  17.73 +/- 1.42   2.587% *  1.1773% (0.80   0.02   0.02) =   0.042%
          HB2   LEU   80 - HN    ILE  103  18.15 +/- 4.15   2.099% *  1.4412% (0.98   0.02   0.02) =   0.042%
          QB    ALA   61 - HN    ILE  103  17.06 +/- 3.26   3.398% *  0.8324% (0.57   0.02   0.02) =   0.039%
          HG    LEU   80 - HN    ILE  103  18.92 +/- 4.20   1.849% *  1.1236% (0.76   0.02   0.02) =   0.029%
          HB3   LYS+  74 - HN    ILE  103  18.74 +/- 4.15   1.288% *  1.2754% (0.87   0.02   0.02) =   0.023%
          HG12  ILE   19 - HN    ILE  103  19.67 +/- 3.97   1.263% *  1.2754% (0.87   0.02   0.02) =   0.022%
          HB3   LEU   67 - HN    ILE  103  19.15 +/- 2.74   1.360% *  0.6044% (0.41   0.02   0.02) =   0.011%
          QG    LYS+  66 - HN    ILE  103  18.98 +/- 3.99   1.920% *  0.3666% (0.25   0.02   0.02) =   0.010%
          QB    ALA   12 - HN    ILE  103  24.89 +/- 5.42   0.839% *  0.5015% (0.34   0.02   0.02) =   0.006%
    Distance limit 4.43 A violated in 2 structures by 0.33 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.87, support = 5.43, residual support = 37.7:
          QD2   LEU  104 - HN    ILE  103   4.35 +/- 0.74  42.766% * 80.1457% (1.00   5.68  39.44) =  81.284%  kept
          QD1   LEU   98 - HN    ILE  103   4.22 +/- 0.84  41.274% * 19.0759% (0.31   4.38  30.11) =  18.672%  kept
          QG1   VAL   43 - HN    ILE  103   8.79 +/- 1.91   5.968% *  0.0963% (0.34   0.02   0.02) =   0.014%
          QG2   VAL   18 - HN    ILE  103  17.20 +/- 4.18   3.108% *  0.1598% (0.57   0.02   0.02) =   0.012%
          QD1   ILE   19 - HN    ILE  103  16.69 +/- 3.47   1.220% *  0.2725% (0.97   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    ILE  103  10.03 +/- 2.88   4.684% *  0.0559% (0.20   0.02   0.02) =   0.006%
          QG2   THR   46 - HN    ILE  103  16.21 +/- 2.27   0.979% *  0.1939% (0.69   0.02   0.02) =   0.005%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.41, support = 6.87, residual support = 216.8:
          QD1   LEU  104 - HN    LEU  104   3.68 +/- 0.75  69.177% * 97.1247% (0.41   6.88 217.23) =  99.788%  kept
          QD1   LEU   73 - HN    LEU  104  12.51 +/- 3.52   8.982% *  0.6626% (0.97   0.02   0.02) =   0.088%
          QD2   LEU   63 - HN    LEU  104  11.38 +/- 3.03   5.890% *  0.4985% (0.73   0.02   0.02) =   0.044%
          QD1   LEU   63 - HN    LEU  104  12.15 +/- 2.69   3.764% *  0.6626% (0.97   0.02   0.02) =   0.037%
          QG2   VAL   41 - HN    LEU  104   8.91 +/- 2.47   8.283% *  0.1359% (0.20   0.02   0.02) =   0.017%
          QD2   LEU  115 - HN    LEU  104  13.24 +/- 1.70   2.024% *  0.4716% (0.69   0.02   0.02) =   0.014%
          QD2   LEU   80 - HN    LEU  104  15.92 +/- 3.28   1.880% *  0.4441% (0.65   0.02   0.02) =   0.012%
    Distance limit 4.65 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 = 0.568, support = 4.8, residual support = 20.9:
          QD1   LEU   98 - HN    ASP- 105   5.74 +/- 0.90  27.935% * 72.0263% (0.95   3.14   5.58) =  50.913%  kept
          QD2   LEU  104 - HN    ASP- 105   3.88 +/- 0.59  70.015% * 27.6990% (0.18   6.52  36.88) =  49.073%  kept
          QG2   ILE   19 - HN    ASP- 105  15.49 +/- 2.90   2.050% *  0.2746% (0.57   0.02   0.02) =   0.014%
    Distance limit 4.75 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 = 134.4:
          HG3   LYS+ 106 - HN    LYS+ 106   3.51 +/- 0.89  59.236% * 95.5285% (0.90   4.02 134.65) =  99.838%  kept
          HB    VAL   42 - HN    LYS+ 106  11.97 +/- 2.50   3.069% *  0.5294% (1.00   0.02   0.02) =   0.029%
          QB    LEU   98 - HN    LYS+ 106   8.75 +/- 0.74   5.796% *  0.2181% (0.41   0.02   0.02) =   0.022%
          HD3   LYS+ 121 - HN    LYS+ 106  10.12 +/- 6.26  13.314% *  0.0929% (0.18   0.02   0.02) =   0.022%
          HG3   LYS+ 102 - HN    LYS+ 106  12.62 +/- 1.70   2.194% *  0.5259% (0.99   0.02   0.02) =   0.020%
          QB    ALA   84 - HN    LYS+ 106  13.32 +/- 2.30   4.954% *  0.1638% (0.31   0.02   0.02) =   0.014%
          HG3   LYS+  65 - HN    LYS+ 106  19.15 +/- 2.99   1.504% *  0.5294% (1.00   0.02   0.02) =   0.014%
          HB3   LEU   73 - HN    LYS+ 106  16.91 +/- 3.85   1.033% *  0.5294% (1.00   0.02   0.02) =   0.010%
          HB2   LYS+ 112 - HN    LYS+ 106  14.76 +/- 1.02   1.064% *  0.5121% (0.97   0.02   0.02) =   0.010%
          HG    LEU   98 - HN    LYS+ 106  10.11 +/- 1.16   3.987% *  0.1181% (0.22   0.02   0.02) =   0.008%
          HB3   PRO   93 - HN    LYS+ 106  12.98 +/- 1.18   1.610% *  0.1810% (0.34   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HN    LYS+ 106  21.81 +/- 2.58   0.369% *  0.5201% (0.98   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    LYS+ 106  26.67 +/- 4.07   0.288% *  0.3645% (0.69   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LYS+ 106  16.39 +/- 3.96   1.024% *  0.0819% (0.15   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LYS+ 106  18.44 +/- 2.26   0.557% *  0.1050% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.72 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 = 26.6:
          QG1   VAL  107 - HN    LYS+ 106   4.93 +/- 0.73  80.248% * 97.0484% (0.53   2.85  26.64) =  99.844%  kept
          HG    LEU   63 - HN    LYS+ 106  13.99 +/- 3.08   6.016% *  0.9404% (0.73   0.02   0.02) =   0.073%
          QG2   VAL   24 - HN    LYS+ 106  17.82 +/- 3.52   2.810% *  1.1234% (0.87   0.02   0.02) =   0.040%
          HG3   LYS+ 112 - HN    LYS+ 106  14.50 +/- 1.42   4.702% *  0.3997% (0.31   0.02   0.02) =   0.024%
          HD3   LYS+ 112 - HN    LYS+ 106  15.12 +/- 1.51   4.035% *  0.1998% (0.15   0.02   0.02) =   0.010%
          QG1   VAL   24 - HN    LYS+ 106  19.00 +/- 3.38   2.189% *  0.2883% (0.22   0.02   0.02) =   0.008%
    Distance limit 4.88 A violated in 0 structures by 0.33 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   3.59 +/- 0.08  94.308% * 99.4336% (0.98   4.52  65.01) =  99.989%  kept
          QD1   LEU   40 - HN    VAL  108  14.48 +/- 1.81   1.833% *  0.2184% (0.49   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    VAL  108  15.73 +/- 3.19   1.695% *  0.2361% (0.53   0.02   0.02) =   0.004%
          QD2   LEU   67 - HN    VAL  108  16.65 +/- 3.57   2.163% *  0.1119% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 2.84, residual support = 7.65:
          QG2   ILE   89 - HN    ALA   91   3.78 +/- 0.55  74.706% * 98.3942% (1.00   2.85   7.66) =  99.830%  kept
          QG1   VAL   83 - HN    TRP   27  11.34 +/- 5.54  10.440% *  1.0370% (0.07   0.46   0.32) =   0.147%  kept
          QG1   VAL   83 - HN    ALA   91  10.88 +/- 0.84   3.637% *  0.3636% (0.53   0.02   0.02) =   0.018%
          QG2   ILE   89 - HN    TRP   27  15.14 +/- 2.96   1.702% *  0.0854% (0.12   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ALA   91  16.76 +/- 1.79   1.201% *  0.1066% (0.15   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    TRP   27  16.15 +/- 4.19   8.315% *  0.0132% (0.02   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.45, support = 5.26, residual support = 39.4:
          HG3   LYS+  99 - HN    GLU- 100   3.88 +/- 0.63  44.800% * 94.9546% (0.45   5.30  39.71) =  99.246%  kept
          QG2   THR   39 - HN    GLU- 100   9.61 +/- 5.33  15.563% *  0.7558% (0.95   0.02   0.02) =   0.274%  kept
          QB    ALA   34 - HN    GLU- 100   9.03 +/- 4.46  17.654% *  0.5802% (0.73   0.02   0.02) =   0.239%  kept
          HG3   LYS+  38 - HN    GLU- 100  12.98 +/- 6.73   5.739% *  0.7919% (0.99   0.02   0.02) =   0.106%  kept
          QG2   THR   23 - HN    GLU- 100  18.39 +/- 5.06   9.910% *  0.2999% (0.38   0.02   0.02) =   0.069%
          HG13  ILE   19 - HN    GLU- 100  15.79 +/- 4.69   1.809% *  0.5169% (0.65   0.02   0.02) =   0.022%
          HG    LEU   71 - HN    GLU- 100  13.92 +/- 5.42   2.418% *  0.2999% (0.38   0.02   0.02) =   0.017%
          QB    ALA   91 - HN    GLU- 100  20.02 +/- 2.71   0.632% *  0.7558% (0.95   0.02   0.02) =   0.011%
          HG2   LYS+  74 - HN    GLU- 100  17.81 +/- 3.23   1.017% *  0.3285% (0.41   0.02   0.02) =   0.008%
          QG2   ILE   56 - HN    GLU- 100  19.36 +/- 2.22   0.458% *  0.7166% (0.90   0.02   0.02) =   0.008%
    Distance limit 4.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.564, support = 0.976, residual support = 5.49:
          QB    ALA   84 - HN    LYS+  81   4.55 +/- 0.26  72.338% * 76.0523% (0.57   0.98   5.53) =  99.187%  kept
          HG3   LYS+  65 - HN    LYS+  81  19.86 +/- 4.27   3.795% *  2.3695% (0.87   0.02   0.02) =   0.162%  kept
          HB3   LEU   73 - HN    LYS+  81  15.07 +/- 2.82   2.576% *  2.5216% (0.92   0.02   0.02) =   0.117%  kept
          HG3   LYS+ 106 - HN    LYS+  81  18.07 +/- 2.63   1.610% *  2.7316% (1.00   0.02   0.02) =   0.079%
          HG3   LYS+  33 - HN    LYS+  81  22.14 +/- 5.39   1.713% *  2.1873% (0.80   0.02   0.02) =   0.068%
          HB3   PRO   93 - HN    LYS+  81  15.52 +/- 2.35   2.223% *  1.6568% (0.61   0.02   0.02) =   0.066%
          HB    VAL   42 - HN    LYS+  81  18.26 +/- 2.12   1.447% *  2.3695% (0.87   0.02   0.02) =   0.062%
          HG3   LYS+ 102 - HN    LYS+  81  22.82 +/- 5.08   1.214% *  2.5840% (0.95   0.02   0.02) =   0.057%
          HG    LEU   98 - HN    LYS+  81  17.10 +/- 3.16   1.939% *  1.2247% (0.45   0.02   0.02) =   0.043%
          HB3   ASP-  44 - HN    LYS+  81  14.27 +/- 2.28   3.727% *  0.6082% (0.22   0.02   0.02) =   0.041%
          HB2   LYS+ 112 - HN    LYS+  81  22.59 +/- 3.38   0.778% *  2.6776% (0.98   0.02   0.02) =   0.038%
          QB    ALA  124 - HN    LYS+  81  27.24 +/- 4.37   1.801% *  0.9318% (0.34   0.02   0.02) =   0.030%
          QB    LEU   98 - HN    LYS+  81  15.83 +/- 2.80   3.020% *  0.5406% (0.20   0.02   0.02) =   0.029%
          QB    ALA   12 - HN    LYS+  81  25.66 +/- 4.61   0.580% *  1.1230% (0.41   0.02   0.02) =   0.012%
          HB2   LEU   63 - HN    LYS+  81  19.24 +/- 2.30   1.240% *  0.4215% (0.15   0.02   0.02) =   0.009%
    Distance limit 4.24 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 5.84, residual support = 214.4:
          QD1   ILE   89 - HN    ILE   89   3.05 +/- 0.64  82.631% * 94.9979% (0.92   5.90 216.49) =  99.038%  kept
          QG2   VAL   83 - HN    ILE   89   5.93 +/- 0.61  15.938% *  4.7623% (1.00   0.27   0.02) =   0.958%  kept
          QD2   LEU   31 - HN    ILE   89  14.96 +/- 3.60   1.431% *  0.2398% (0.69   0.02   0.02) =   0.004%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.366, support = 4.15, residual support = 10.3:
          QB    ALA   88 - HN    ILE   89   3.25 +/- 0.44  57.870% * 60.4178% (0.34   4.80   9.34) =  76.585%  kept
          QB    ALA   84 - HN    ILE   89   4.50 +/- 1.10  31.483% * 33.7765% (0.45   2.04  13.35) =  23.293%  kept
          HB3   LEU   80 - HN    ILE   89  10.33 +/- 1.63   2.346% *  0.7232% (0.98   0.02   0.02) =   0.037%
          HB3   PRO   93 - HN    ILE   89  11.40 +/- 1.54   3.322% *  0.3033% (0.41   0.02   0.02) =   0.022%
          HB3   ASP-  44 - HN    ILE   89  12.43 +/- 1.22   1.128% *  0.6163% (0.84   0.02   0.02) =   0.015%
          HG    LEU   98 - HN    ILE   89  12.51 +/- 2.41   1.617% *  0.4177% (0.57   0.02   0.02) =   0.015%
          HG2   LYS+ 111 - HN    ILE   89  16.26 +/- 3.39   0.686% *  0.7232% (0.98   0.02   0.02) =   0.011%
          HB2   LEU   63 - HN    ILE   89  17.46 +/- 1.46   0.437% *  0.6811% (0.92   0.02   0.02) =   0.007%
          HB2   LEU   31 - HN    ILE   89  19.65 +/- 4.80   0.398% *  0.7362% (1.00   0.02   0.02) =   0.006%
          HG2   LYS+  99 - HN    ILE   89  19.54 +/- 2.68   0.416% *  0.5908% (0.80   0.02   0.02) =   0.005%
          QB    ALA  124 - HN    ILE   89  24.40 +/- 2.40   0.162% *  0.5068% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    ILE   89  25.48 +/- 2.14   0.134% *  0.5068% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.73 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 = 0.645, support = 4.0, residual support = 34.8:
          QB    ALA   91 - HN    GLN   90   4.02 +/- 0.54  48.852% * 61.1848% (0.84   3.04  32.35) =  67.491%  kept
          HG12  ILE   89 - HN    GLN   90   4.31 +/- 0.66  39.977% * 35.9436% (0.25   5.99  40.06) =  32.446%  kept
          HG3   LYS+  99 - HN    GLN   90  21.73 +/- 3.32   1.868% *  0.4555% (0.95   0.02   0.02) =   0.019%
          HG2   LYS+  74 - HN    GLN   90  15.81 +/- 2.95   1.096% *  0.4445% (0.92   0.02   0.02) =   0.011%
          QG2   ILE   56 - HN    GLN   90  12.82 +/- 2.75   2.624% *  0.1807% (0.38   0.02   0.02) =   0.011%
          HG3   LYS+ 111 - HN    GLN   90  13.39 +/- 3.63   3.572% *  0.0953% (0.20   0.02   0.02) =   0.008%
          QG2   THR   39 - HN    GLN   90  19.63 +/- 1.86   0.559% *  0.4022% (0.84   0.02   0.02) =   0.005%
          HG13  ILE   19 - HN    GLN   90  22.71 +/- 2.79   0.323% *  0.4815% (1.00   0.02   0.02) =   0.004%
          HG    LEU   71 - HN    GLN   90  23.06 +/- 2.84   0.347% *  0.4319% (0.90   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    GLN   90  18.68 +/- 1.75   0.606% *  0.1072% (0.22   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    GLN   90  28.06 +/- 2.14   0.177% *  0.2726% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 89.3:
      O   HB2   GLN   90 - HN    GLN   90   3.85 +/- 0.21  93.343% * 99.4917% (0.73  10.0   5.59  89.29) =  99.992%  kept
          HB3   GLU-  79 - HN    GLN   90  13.48 +/- 2.93   4.336% *  0.1343% (0.98   1.0   0.02   0.02) =   0.006%
          QB    GLU-  36 - HN    GLN   90  25.50 +/- 1.76   0.350% *  0.1367% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLN   90  25.73 +/- 2.69   0.365% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  25.74 +/- 3.32   0.383% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  23.27 +/- 3.15   0.948% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  27.95 +/- 1.84   0.276% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 5.5, residual support = 43.0:
          QD2   LEU   73 - HN    PHE   72   4.53 +/- 0.83  38.428% * 97.9237% (0.87   5.53  43.24) =  99.513%  kept
          QG1   VAL   43 - HN    PHE   72   8.44 +/- 1.92   7.867% *  0.8817% (0.57   0.08   0.02) =   0.183%  kept
          QG1   VAL   41 - HN    PHE   72   7.17 +/- 1.81  17.213% *  0.3120% (0.76   0.02   0.02) =   0.142%  kept
          QG2   VAL   18 - HN    PHE   72   6.70 +/- 4.24  28.697% *  0.1392% (0.34   0.02   1.15) =   0.106%  kept
          HG    LEU   31 - HN    PHE   72  10.06 +/- 1.93   3.736% *  0.3940% (0.97   0.02   0.02) =   0.039%
          QD1   ILE   56 - HN    PHE   72  13.38 +/- 2.03   1.607% *  0.2476% (0.61   0.02   0.02) =   0.011%
          QG2   THR   46 - HN    PHE   72  11.30 +/- 1.88   2.452% *  0.1018% (0.25   0.02   0.02) =   0.007%
    Distance limit 4.62 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 = 4.34, residual support = 46.9:
          QB    ALA   64 - HN    PHE   72   3.46 +/- 0.98  98.153% * 99.9194% (1.00   4.34  46.90) =  99.998%  kept
          QB    ALA   47 - HN    PHE   72  15.37 +/- 1.57   1.847% *  0.0806% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.703, support = 2.66, residual support = 8.03:
          HB    ILE   19 - HN    LYS+  74   6.26 +/- 4.18  45.067% * 92.1186% (0.71   2.70   8.14) =  98.602%  kept
          HB2   GLN   17 - HN    LYS+  74  11.19 +/- 3.68   8.651% *  4.5403% (0.43   0.22   0.02) =   0.933%  kept
          HG2   PRO   68 - HN    LYS+  74  15.29 +/- 1.66   8.590% *  0.6715% (0.69   0.02   0.02) =   0.137%  kept
          QB    GLU- 114 - HN    LYS+  74  19.09 +/- 2.55   6.530% *  0.6835% (0.71   0.02   0.02) =   0.106%  kept
          HB3   GLU-  25 - HN    LYS+  74  13.52 +/- 2.14   4.297% *  0.5486% (0.57   0.02   0.02) =   0.056%
          HG3   PRO   58 - HN    LYS+  74  16.78 +/- 3.16   6.611% *  0.2571% (0.27   0.02   0.02) =   0.040%
          HB2   LEU  115 - HN    LYS+  74  17.32 +/- 2.41   6.517% *  0.2337% (0.24   0.02   0.02) =   0.036%
          QB    GLU-  15 - HN    LYS+  74  13.93 +/- 2.92   3.604% *  0.4155% (0.43   0.02   0.02) =   0.036%
          HB3   PRO   68 - HN    LYS+  74  15.17 +/- 1.92   7.179% *  0.1708% (0.18   0.02   0.02) =   0.029%
          HB2   LYS+ 111 - HN    LYS+  74  22.38 +/- 3.72   2.954% *  0.3604% (0.37   0.02   0.02) =   0.025%
    Distance limit 4.67 A violated in 5 structures by 1.24 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.43, residual support = 42.0:
          QD1   LEU   73 - HN    LYS+  74   4.10 +/- 0.78  59.005% * 97.1339% (0.37   5.45  42.18) =  99.663%  kept
          QD2   LEU   80 - HN    LYS+  74   9.72 +/- 3.45  10.745% *  0.6080% (0.64   0.02   0.02) =   0.114%  kept
          QG1   VAL   83 - HN    LYS+  74  10.22 +/- 2.58   8.588% *  0.5181% (0.54   0.02   0.02) =   0.077%
          QD1   LEU   63 - HN    LYS+  74   9.54 +/- 2.18  10.569% *  0.3567% (0.37   0.02   0.02) =   0.066%
          QD1   LEU  104 - HN    LYS+  74  13.84 +/- 3.03   3.603% *  0.6764% (0.71   0.02   0.02) =   0.042%
          QD2   LEU  115 - HN    LYS+  74  14.02 +/- 2.23   2.798% *  0.5881% (0.61   0.02   0.02) =   0.029%
          QG2   ILE   89 - HN    LYS+  74  11.70 +/- 1.91   4.693% *  0.1187% (0.12   0.02   0.02) =   0.010%
    Distance limit 4.67 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.359, support = 4.5, residual support = 27.1:
          QG2   THR   77 - HN    ASP-  78   3.71 +/- 0.67  58.221% * 77.5896% (0.34   4.73  28.32) =  94.532%  kept
          HB3   LEU   80 - HN    ASP-  78   7.01 +/- 1.42  15.323% * 16.5102% (0.69   0.50   6.21) =   5.294%  kept
          QB    ALA   84 - HN    ASP-  78   7.17 +/- 1.73  14.632% *  0.1483% (0.15   0.02   0.02) =   0.045%
          HB3   ASP-  44 - HN    ASP-  78  11.17 +/- 2.40   3.583% *  0.4309% (0.45   0.02   0.02) =   0.032%
          QB    ALA   88 - HN    ASP-  78  13.10 +/- 1.75   1.750% *  0.6980% (0.73   0.02   0.02) =   0.026%
          HB2   LEU   63 - HN    ASP-  78  14.76 +/- 1.64   1.187% *  0.5442% (0.57   0.02   0.02) =   0.014%
          QB    ALA  124 - HN    ASP-  78  24.16 +/- 4.36   2.012% *  0.2967% (0.31   0.02   0.02) =   0.012%
          HG2   LYS+ 111 - HN    ASP-  78  20.52 +/- 4.21   0.686% *  0.8620% (0.90   0.02   0.02) =   0.012%
          HB2   LEU   31 - HN    ASP-  78  19.00 +/- 3.73   0.715% *  0.8028% (0.84   0.02   0.02) =   0.012%
          HG2   LYS+  99 - HN    ASP-  78  22.51 +/- 3.53   0.374% *  0.9612% (1.00   0.02   0.02) =   0.008%
          HG2   LYS+  38 - HN    ASP-  78  25.78 +/- 4.07   0.374% *  0.9421% (0.98   0.02   0.02) =   0.007%
          HG    LEU   98 - HN    ASP-  78  16.56 +/- 3.71   1.143% *  0.2140% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.37 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 = 0.941, support = 0.02, residual support = 0.02:
          QB    ALA   47 - HN    ASP-  78   9.59 +/- 4.40  54.903% * 32.6601% (0.92   0.02   0.02) =  53.914%  kept
          QG1   VAL   42 - HN    ASP-  78  12.62 +/- 1.38  29.670% * 34.6797% (0.98   0.02   0.02) =  30.937%  kept
          HG2   LYS+ 112 - HN    ASP-  78  18.29 +/- 4.32  15.428% * 32.6601% (0.92   0.02   0.02) =  15.150%  kept
    Distance limit 4.61 A violated in 16 structures by 3.53 A, eliminated.
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.671, support = 4.22, residual support = 24.7:
          HB    THR   77 - HN    ASP-  78   4.00 +/- 0.31  56.075% * 38.0569% (0.45   4.73  28.32) =  52.938%  kept
          HA    GLU-  79 - HN    ASP-  78   4.89 +/- 0.14  31.447% * 60.2337% (0.92   3.64  20.59) =  46.988%  kept
          HA1   GLY   51 - HN    ASP-  78  16.03 +/- 5.30   3.353% *  0.3579% (1.00   0.02   0.02) =   0.030%
          HA    ALA   57 - HN    ASP-  78  15.75 +/- 4.68   1.905% *  0.3217% (0.90   0.02   0.02) =   0.015%
          HA    ASP-  44 - HN    ASP-  78  11.33 +/- 1.90   2.918% *  0.1346% (0.38   0.02   0.02) =   0.010%
          HA    SER   85 - HN    ASP-  78  12.91 +/- 1.71   1.937% *  0.1608% (0.45   0.02   0.02) =   0.008%
          HA    ILE  103 - HN    ASP-  78  18.69 +/- 4.04   1.173% *  0.2031% (0.57   0.02   0.02) =   0.006%
          HA    THR   39 - HN    ASP-  78  22.23 +/- 2.94   0.513% *  0.3462% (0.97   0.02   0.02) =   0.004%
          HA    MET   11 - HN    ASP-  78  29.24 +/- 5.66   0.296% *  0.1224% (0.34   0.02   0.02) =   0.001%
          HA    SER  117 - HN    ASP-  78  23.45 +/- 2.83   0.383% *  0.0628% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.39 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 = 39.6:
      O   HA    ASP-  78 - HN    ASP-  78   2.83 +/- 0.03  89.949% * 98.6646% (1.00  10.0   4.57  39.63) =  99.896%  kept
          HA    LEU   80 - HN    ASP-  78   6.76 +/- 0.80   7.574% *  1.2009% (0.49   1.0   0.50   6.21) =   0.102%  kept
          HA    THR   23 - HN    ASP-  78  14.16 +/- 3.31   1.232% *  0.0856% (0.87   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ASP-  78  15.47 +/- 3.39   0.870% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  20.09 +/- 3.25   0.374% *  0.0152% (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 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.989, support = 8.06, residual support = 200.3:
      O   HA    ILE  119 - HN    ILE  119   2.79 +/- 0.05  60.466% * 50.7779% (1.00  10.0   8.55 267.37) =  67.682%  kept
      O   HA    THR  118 - HN    ILE  119   3.54 +/- 0.04  29.915% * 49.0042% (0.97  10.0   7.04  59.97) =  32.315%  kept
          HA2   GLY  109 - HN    ILE  119  12.53 +/- 2.52   1.161% *  0.0369% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    CYS   21  20.53 +/- 4.40   1.427% *  0.0159% (0.31   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    CYS   21  18.50 +/- 4.54   0.851% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    CYS   21   8.03 +/- 3.34   4.720% *  0.0028% (0.06   1.0   0.02   1.40) =   0.000%
          HB2   TRP   49 - HN    ILE  119  20.54 +/- 2.54   0.203% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  19.65 +/- 1.94   0.194% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  16.55 +/- 3.83   0.400% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.12 +/- 4.03   0.281% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  17.71 +/- 2.07   0.276% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  24.04 +/- 2.10   0.106% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.705, support = 5.42, residual support = 30.6:
          HB2   CYS   53 - HN    ARG+  54   3.16 +/- 0.32  66.372% * 83.9199% (0.72   5.54  31.75) =  96.027%  kept
          HD3   PRO   52 - HN    ARG+  54   5.28 +/- 0.22  15.593% * 14.6061% (0.26   2.65   1.92) =   3.926%  kept
          HD2   PRO   58 - HN    ARG+  54   7.96 +/- 1.09   4.953% *  0.3661% (0.87   0.02   0.02) =   0.031%
          HD2   PRO   58 - HN    ASP-  62   7.30 +/- 0.78   6.119% *  0.0685% (0.16   0.02   0.02) =   0.007%
          HB2   CYS   53 - HN    ASP-  62  11.11 +/- 2.31   4.114% *  0.0567% (0.14   0.02   0.02) =   0.004%
          HA    VAL   83 - HN    ARG+  54  21.33 +/- 2.64   0.273% *  0.3440% (0.82   0.02   0.02) =   0.002%
          HA    GLU- 100 - HN    ARG+  54  27.95 +/- 2.85   0.120% *  0.3312% (0.79   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    ARG+  54  24.61 +/- 3.22   0.241% *  0.1353% (0.32   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    ASP-  62  19.87 +/- 2.50   0.357% *  0.0644% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  17.39 +/- 3.44   0.757% *  0.0253% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  21.42 +/- 3.01   0.298% *  0.0620% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  15.45 +/- 2.04   0.803% *  0.0206% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.842, support = 0.749, residual support = 0.494:
          QG2   VAL   18 - HN    ALA   61   9.39 +/- 3.06  20.095% * 48.0928% (0.95   1.02   0.87) =  53.756%  kept
          QG2   THR   46 - HN    ALA   61   7.93 +/- 2.25  26.556% * 16.4021% (0.87   0.38   0.02) =  24.228%  kept
          QD2   LEU   73 - HN    ALA   61   8.85 +/- 2.23  19.865% * 10.0007% (0.25   0.80   0.17) =  11.050%  kept
          QG1   VAL   41 - HN    ALA   61  12.94 +/- 2.50   6.825% * 12.9184% (0.92   0.28   0.02) =   4.904%  kept
          QG1   VAL   43 - HN    ALA   61  10.56 +/- 1.46  10.765% *  6.9376% (1.00   0.14   0.02) =   4.154%  kept
          QD1   ILE   19 - HN    ALA   61  12.45 +/- 2.19   6.266% *  4.8977% (0.53   0.19   0.02) =   1.707%  kept
          QD2   LEU  104 - HN    ALA   61  14.54 +/- 2.95   6.224% *  0.3754% (0.38   0.02   0.02) =   0.130%  kept
          HG    LEU   31 - HN    ALA   61  15.92 +/- 3.01   3.404% *  0.3754% (0.38   0.02   0.02) =   0.071%
    Distance limit 4.68 A violated in 9 structures by 1.21 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.918, support = 5.69, residual support = 51.4:
          QB    GLU-  36 - HN    ASN   35   4.27 +/- 0.32  67.134% * 96.6083% (0.92   5.73  51.76) =  99.278%  kept
          HB2   LYS+  38 - HN    ASN   35   6.68 +/- 0.72  20.302% *  2.1194% (0.28   0.42   0.02) =   0.659%  kept
          HB3   GLU-  29 - HN    ASN   35   9.13 +/- 0.52   7.379% *  0.3622% (0.99   0.02   0.02) =   0.041%
          HG3   GLU-  29 - HN    ASN   35  11.17 +/- 0.62   4.017% *  0.2654% (0.73   0.02   0.02) =   0.016%
          HB3   GLU-  79 - HN    ASN   35  21.65 +/- 3.65   0.900% *  0.3170% (0.87   0.02   0.02) =   0.004%
          HB2   GLN   90 - HN    ASN   35  28.28 +/- 2.58   0.269% *  0.3277% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 48.3:
      O   QB    MET   11 - HN    MET   11   2.82 +/- 0.42  92.844% * 99.3665% (0.69  10.0   3.00  48.29) =  99.996%  kept
          HG3   GLU-  36 - HN    MET   11  20.42 +/- 5.97   0.740% *  0.1255% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   11  12.34 +/- 2.51   2.116% *  0.0361% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    MET   11  28.78 +/- 5.95   0.490% *  0.1050% (0.73   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    MET   11  10.79 +/- 1.01   2.305% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    MET   11  24.93 +/- 6.63   0.610% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  27.21 +/- 4.82   0.532% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  37.15 +/- 6.29   0.103% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  36.49 +/- 7.12   0.188% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  34.75 +/- 4.24   0.074% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 48.3:
          HG2   MET   11 - HN    MET   11   4.05 +/- 0.64  90.327% * 97.3781% (0.92   3.31  48.29) =  99.952%  kept
          HB2   GLU-  14 - HN    MET   11  11.50 +/- 1.18   5.144% *  0.6025% (0.95   0.02   0.02) =   0.035%
          QB    GLN   32 - HN    MET   11  19.44 +/- 5.51   2.371% *  0.1771% (0.28   0.02   0.02) =   0.005%
          HB2   PRO   68 - HN    MET   11  23.14 +/- 3.94   0.790% *  0.3100% (0.49   0.02   0.02) =   0.003%
          HG3   PRO   52 - HN    MET   11  37.23 +/- 7.56   0.321% *  0.6243% (0.98   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    MET   11  32.96 +/- 5.60   0.240% *  0.6243% (0.98   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    MET   11  26.23 +/- 5.52   0.579% *  0.1418% (0.22   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    MET   11  34.20 +/- 4.69   0.227% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 48.3:
          HG3   MET   11 - HN    MET   11   3.21 +/- 0.54  93.718% * 98.0250% (0.92   3.31  48.29) =  99.975%  kept
          HB3   GLU-  14 - HN    MET   11  11.34 +/- 1.63   3.761% *  0.4901% (0.76   0.02   0.02) =   0.020%
          HB3   GLN   30 - HN    MET   11  20.48 +/- 4.54   0.736% *  0.2188% (0.34   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    MET   11  22.79 +/- 5.56   0.953% *  0.1269% (0.20   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   11  31.46 +/- 6.03   0.199% *  0.4405% (0.69   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    MET   11  30.72 +/- 5.45   0.157% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  23.57 +/- 4.60   0.402% *  0.0990% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  37.69 +/- 5.16   0.074% *  0.3122% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.8, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  19.09 +/- 5.21  36.390% * 22.9200% (1.00   0.02   0.02) =  51.509%  kept
          HD3   LYS+  74 - HN    MET   11  23.77 +/- 6.37  22.332% * 12.0587% (0.53   0.02   0.02) =  16.631%  kept
          QG    LYS+  81 - HN    MET   11  31.07 +/- 5.58   8.439% * 19.1444% (0.84   0.02   0.02) =   9.977%  kept
          HG    LEU  104 - HN    MET   11  30.29 +/- 6.21  14.289% *  8.6021% (0.38   0.02   0.02) =   7.591%  kept
          HG2   LYS+ 106 - HN    MET   11  34.51 +/- 5.42   6.925% * 17.5161% (0.76   0.02   0.02) =   7.491%  kept
          HB3   LYS+ 121 - HN    MET   11  34.93 +/- 6.06   7.657% *  8.6021% (0.38   0.02   0.02) =   4.068%  kept
          HB3   LYS+ 111 - HN    MET   11  40.27 +/- 5.48   3.968% * 11.1564% (0.49   0.02   0.02) =   2.734%  kept
    Distance limit 4.39 A violated in 19 structures by 11.91 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   3.95 +/- 0.43  86.986% * 97.8408% (0.72   3.59  11.89) =  99.925%  kept
          HB2   GLU-  14 - HN    ALA   12   8.62 +/- 1.15  10.814% *  0.5443% (0.72   0.02   0.02) =   0.069%
          HB2   PRO   68 - HN    ALA   12  20.61 +/- 4.22   1.133% *  0.1517% (0.20   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    ALA   12  30.62 +/- 4.45   0.246% *  0.5347% (0.71   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    ALA   12  35.13 +/- 6.05   0.218% *  0.5347% (0.71   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA   12  31.88 +/- 3.76   0.222% *  0.2243% (0.30   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA   12  33.36 +/- 5.03   0.204% *  0.0955% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  35.75 +/- 4.55   0.178% *  0.0738% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.37 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   2.78 +/- 0.22  96.340% * 99.1918% (0.68  10.0   2.29  12.48) =  99.997%  kept
          HG3   LYS+  33 - HN    ALA   12  17.20 +/- 3.69   0.855% *  0.0992% (0.68   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   12  20.13 +/- 4.03   0.408% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  22.11 +/- 4.56   0.365% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  23.80 +/- 5.18   0.392% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  20.59 +/- 3.97   0.612% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  22.66 +/- 3.62   0.270% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.60 +/- 7.76   0.236% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.60 +/- 5.02   0.112% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  32.19 +/- 5.90   0.134% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  35.22 +/- 3.75   0.055% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  28.20 +/- 6.15   0.141% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  31.87 +/- 3.79   0.080% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.79 +/- 0.53  94.755% * 91.5357% (0.95   1.76   5.18) =  99.950%  kept
          HG3   LYS+  33 - HN    SER   13  15.16 +/- 3.24   1.077% *  1.0389% (0.95   0.02   0.02) =   0.013%
          HG3   LYS+  65 - HN    SER   13  19.40 +/- 4.06   0.613% *  0.9849% (0.90   0.02   0.02) =   0.007%
          QB    LEU   98 - HN    SER   13  21.42 +/- 5.06   0.755% *  0.7975% (0.73   0.02   0.02) =   0.007%
          HB    VAL   42 - HN    SER   13  19.89 +/- 3.59   0.566% *  0.9849% (0.90   0.02   0.02) =   0.006%
          HB3   LEU   73 - HN    SER   13  17.56 +/- 3.48   0.587% *  0.9173% (0.84   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    SER   13  18.28 +/- 3.67   0.547% *  0.4924% (0.45   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    SER   13  28.19 +/- 7.21   0.282% *  0.8794% (0.80   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    SER   13  28.94 +/- 4.92   0.191% *  0.6661% (0.61   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    SER   13  29.21 +/- 5.89   0.233% *  0.4515% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    SER   13  26.12 +/- 5.56   0.215% *  0.3053% (0.28   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   13  32.82 +/- 3.53   0.072% *  0.7975% (0.73   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   13  29.56 +/- 3.21   0.107% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.45, support = 2.46, residual support = 6.62:
          QB    SER   13 - HN    GLU-  14   2.89 +/- 0.66  93.310% * 95.5652% (0.45   2.46   6.62) =  99.930%  kept
          HB3   SER   37 - HN    GLU-  14  13.40 +/- 3.97   3.972% *  1.0021% (0.58   0.02   0.02) =   0.045%
          HB    THR   39 - HN    GLU-  14  13.71 +/- 3.85   2.128% *  0.8241% (0.48   0.02   0.02) =   0.020%
          HB    THR  118 - HN    GLU-  14  27.10 +/- 3.61   0.229% *  1.1971% (0.70   0.02   0.02) =   0.003%
          HA    ILE   89 - HN    GLU-  14  29.00 +/- 3.86   0.178% *  1.0021% (0.58   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    GLU-  14  27.63 +/- 5.43   0.183% *  0.4093% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.76 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 = 0.516, support = 3.69, residual support = 38.1:
          QG    GLU-  14 - HN    GLU-  14   3.64 +/- 0.73  55.543% * 72.9078% (0.53   4.04  44.66) =  84.895%  kept
          QG    GLU-  15 - HN    GLU-  14   5.36 +/- 1.15  29.105% * 24.6240% (0.42   1.72   1.51) =  15.025%  kept
          HB2   GLU-  29 - HN    GLU-  14  15.11 +/- 4.44   5.713% *  0.3427% (0.51   0.02   0.02) =   0.041%
          HB3   PHE   72 - HN    GLU-  14  14.21 +/- 2.89   1.941% *  0.3942% (0.58   0.02   0.02) =   0.016%
          QB    MET   11 - HN    GLU-  14   8.15 +/- 0.82   6.136% *  0.0934% (0.14   0.02   0.02) =   0.012%
          HB2   ASP-  44 - HN    GLU-  14  19.35 +/- 3.40   0.741% *  0.3427% (0.51   0.02   0.02) =   0.005%
          HG12  ILE  119 - HN    GLU-  14  25.48 +/- 3.87   0.250% *  0.4678% (0.69   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    GLU-  14  27.92 +/- 3.28   0.180% *  0.4233% (0.62   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    GLU-  14  30.74 +/- 3.87   0.125% *  0.2863% (0.42   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  14  25.33 +/- 4.21   0.267% *  0.1177% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.88, residual support = 44.7:
      O   HB2   GLU-  14 - HN    GLU-  14   3.32 +/- 0.56  92.075% * 99.6047% (0.70  10.0   3.88  44.66) =  99.994%  kept
          HG2   MET   11 - HN    GLU-  14   9.89 +/- 0.69   4.337% *  0.0998% (0.70   1.0   0.02   0.02) =   0.005%
          HB2   PRO   68 - HN    GLU-  14  15.94 +/- 4.63   2.503% *  0.0278% (0.19   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    GLU-  14  25.33 +/- 3.98   0.307% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  30.27 +/- 5.20   0.190% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  26.78 +/- 3.14   0.220% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  28.68 +/- 3.98   0.208% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  30.29 +/- 4.06   0.160% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.88, residual support = 44.7:
      O   HB3   GLU-  14 - HN    GLU-  14   3.24 +/- 0.39  93.725% * 99.6986% (0.62  10.0   3.88  44.66) =  99.994%  kept
          HG3   MET   11 - HN    GLU-  14  10.29 +/- 0.87   3.448% *  0.0807% (0.51   1.0   0.02   0.02) =   0.003%
          HB2   LEU   40 - HN    GLU-  14  15.86 +/- 3.20   1.857% *  0.0850% (0.53   1.0   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    GLU-  14  22.96 +/- 4.39   0.781% *  0.1109% (0.70   1.0   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HN    GLU-  14  28.29 +/- 4.20   0.189% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.6, residual support = 85.2:
          QG    GLN   17 - HN    GLN   17   3.38 +/- 0.56  86.374% * 98.8355% (1.00   5.60  85.22) =  99.958%  kept
          HB    VAL   70 - HN    GLN   17  10.86 +/- 4.20   7.527% *  0.3465% (0.98   0.02   0.02) =   0.031%
          HB2   GLU-  25 - HN    GLN   17  17.77 +/- 3.61   1.331% *  0.3504% (0.99   0.02   0.02) =   0.005%
          HB2   LYS+  38 - HN    GLN   17  15.52 +/- 3.16   1.742% *  0.0983% (0.28   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    GLN   17  18.62 +/- 3.61   0.653% *  0.2287% (0.65   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HN    GLN   17  18.75 +/- 5.90   1.510% *  0.0787% (0.22   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLN   17  17.59 +/- 4.73   0.863% *  0.0619% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 82.5:
      O   HB2   GLN   17 - HN    GLN   17   2.96 +/- 0.62  58.631% * 90.2377% (0.92  10.0   5.61  85.22) =  96.761%  kept
          QB    GLU-  15 - HN    GLN   17   4.45 +/- 0.34  21.815% *  7.6979% (0.92   1.0   1.71   0.02) =   3.071%  kept
          HB    ILE   19 - HN    GLN   17   7.39 +/- 0.94   5.149% *  1.6491% (0.80   1.0   0.42   0.02) =   0.155%  kept
          HB3   PRO   68 - HN    GLN   17  12.45 +/- 6.21   5.217% *  0.0553% (0.57   1.0   0.02   0.02) =   0.005%
          HB3   GLU-  25 - HN    GLN   17  18.51 +/- 3.75   1.418% *  0.0975% (1.00   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    GLN   17  13.17 +/- 5.09   1.930% *  0.0710% (0.73   1.0   0.02   0.02) =   0.003%
          HG3   GLN   30 - HN    GLN   17   9.94 +/- 2.56   5.601% *  0.0218% (0.22   1.0   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    GLN   17  24.44 +/- 2.11   0.138% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  28.57 +/- 3.44   0.102% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.27, residual support = 85.2:
      O   HB3   GLN   17 - HN    GLN   17   3.10 +/- 0.43  75.801% * 99.6298% (0.98  10.0   5.27  85.22) =  99.979%  kept
          HB2   LEU   71 - HN    GLN   17   9.91 +/- 6.31  15.256% *  0.0777% (0.76   1.0   0.02   0.02) =   0.016%
          QB    LYS+  65 - HN    GLN   17  12.08 +/- 3.92   3.205% *  0.0738% (0.73   1.0   0.02   0.02) =   0.003%
          HB    VAL   43 - HN    GLN   17  16.45 +/- 4.44   1.729% *  0.0283% (0.28   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17  12.71 +/- 3.40   2.150% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    GLN   17  19.71 +/- 4.13   0.536% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.75 +/- 4.98   0.760% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  24.04 +/- 4.56   0.317% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  24.21 +/- 3.84   0.245% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.973, support = 2.22, residual support = 9.03:
          QB    GLU-  15 - HN    GLY   16   3.04 +/- 0.64  55.240% * 39.3877% (0.98   1.94   5.39) =  70.124%  kept
          HB2   GLN   17 - HN    GLY   16   5.17 +/- 0.72  15.768% * 58.4133% (0.98   2.88  17.69) =  29.685%  kept
          HG3   GLN   30 - HN    GLY   16  10.68 +/- 3.00  13.042% *  0.1667% (0.40   0.02   0.02) =   0.070%
          HB3   PRO   68 - HN    GLY   16  13.05 +/- 6.99   5.885% *  0.3248% (0.78   0.02   0.02) =   0.062%
          HB    ILE   19 - HN    GLY   16   8.55 +/- 1.25   3.710% *  0.2296% (0.55   0.02   0.02) =   0.027%
          HG2   PRO   68 - HN    GLY   16  13.78 +/- 5.93   2.623% *  0.1974% (0.47   0.02   0.02) =   0.017%
          HB3   GLU-  25 - HN    GLY   16  19.52 +/- 3.84   0.480% *  0.3837% (0.92   0.02   0.02) =   0.006%
          HB2   GLN   30 - HN    GLY   16  11.84 +/- 2.82   1.868% *  0.0710% (0.17   0.02   0.02) =   0.004%
          HB3   GLU- 100 - HN    GLY   16  19.13 +/- 6.05   0.998% *  0.0903% (0.22   0.02   0.02) =   0.003%
          QB    GLU- 114 - HN    GLY   16  25.32 +/- 2.22   0.119% *  0.2624% (0.63   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLY   16  29.64 +/- 3.52   0.073% *  0.4020% (0.97   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLY   16  23.06 +/- 3.68   0.194% *  0.0710% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.7, support = 5.8, residual support = 50.3:
          QG    GLN   17 - HN    VAL   18   3.20 +/- 0.81  85.573% * 98.7493% (0.70   5.80  50.34) =  99.959%  kept
          HB    VAL   70 - HN    VAL   18  10.23 +/- 4.03   4.774% *  0.3033% (0.62   0.02   0.02) =   0.017%
          HB2   GLU-  25 - HN    VAL   18  16.68 +/- 3.40   2.605% *  0.3916% (0.81   0.02   0.02) =   0.012%
          HG3   GLU-  29 - HN    VAL   18  16.00 +/- 3.83   3.486% *  0.1169% (0.24   0.02   0.02) =   0.005%
          HB2   MET   96 - HN    VAL   18  16.92 +/- 4.13   2.654% *  0.1169% (0.24   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HN    VAL   18  17.79 +/- 2.90   0.907% *  0.3220% (0.66   0.02   0.02) =   0.003%
    Distance limit 4.45 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 = 4.98, residual support = 76.0:
      O   HB    VAL   18 - HN    VAL   18   2.59 +/- 0.49  73.740% * 93.7646% (0.70  10.0   4.99  76.31) =  99.521%  kept
          HB    ILE   19 - HN    VAL   18   6.67 +/- 0.30   5.389% *  5.7555% (0.21   1.0   4.00  22.62) =   0.446%  kept
          HB2   LEU   67 - HN    VAL   18   9.68 +/- 4.29  16.907% *  0.1221% (0.91   1.0   0.02   0.02) =   0.030%
          HG2   PRO   68 - HN    VAL   18  12.98 +/- 4.55   2.975% *  0.0359% (0.27   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    VAL   18  18.86 +/- 3.16   0.340% *  0.1192% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    VAL   18  20.66 +/- 2.37   0.236% *  0.1221% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  21.17 +/- 3.24   0.227% *  0.0579% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  22.37 +/- 2.16   0.186% *  0.0226% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.338, support = 5.36, residual support = 49.4:
          HB3   GLN   17 - HN    VAL   18   3.15 +/- 0.79  65.973% * 82.0922% (0.33   5.46  50.34) =  98.042%  kept
          QB    LYS+  65 - HN    VAL   18   9.66 +/- 4.34   6.851% * 13.2460% (0.87   0.34   0.02) =   1.643%  kept
          HB    VAL   41 - HN    VAL   18  14.06 +/- 4.82  13.471% *  0.5699% (0.62   0.02   0.02) =   0.139%  kept
          HB2   LEU   71 - HN    VAL   18  10.60 +/- 5.75   6.749% *  0.7642% (0.84   0.02   0.02) =   0.093%
          QB    LYS+  66 - HN    VAL   18  11.05 +/- 3.17   3.411% *  0.7359% (0.81   0.02   0.02) =   0.045%
          QB    LYS+ 102 - HN    VAL   18  19.87 +/- 4.34   1.282% *  0.8503% (0.93   0.02   0.02) =   0.020%
          HG12  ILE  103 - HN    VAL   18  19.69 +/- 4.84   1.194% *  0.4288% (0.47   0.02   0.02) =   0.009%
          HG2   PRO   93 - HN    VAL   18  21.42 +/- 4.32   0.354% *  0.8732% (0.96   0.02   0.02) =   0.006%
          HG    LEU  123 - HN    VAL   18  20.02 +/- 5.16   0.457% *  0.2197% (0.24   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    VAL   18  22.93 +/- 4.22   0.259% *  0.2197% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.09 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 = 0.881, support = 5.11, residual support = 72.1:
          QG2   VAL   18 - HN    VAL   18   2.51 +/- 0.74  68.890% * 72.2664% (0.91   5.25  76.31) =  92.118%  kept
          QD1   ILE   19 - HN    VAL   18   5.86 +/- 1.17  15.883% * 26.6321% (0.51   3.48  22.62) =   7.827%  kept
          QG1   VAL   43 - HN    VAL   18  12.30 +/- 4.13   4.198% *  0.2901% (0.96   0.02   0.02) =   0.023%
          QG1   VAL   41 - HN    VAL   18  11.72 +/- 3.67   2.691% *  0.2684% (0.89   0.02   0.02) =   0.013%
          QG2   THR   46 - HN    VAL   18  13.54 +/- 3.77   1.805% *  0.2522% (0.84   0.02   0.02) =   0.008%
          QD2   LEU   73 - HN    VAL   18   8.52 +/- 2.65   4.597% *  0.0725% (0.24   0.02   0.97) =   0.006%
          QD2   LEU  104 - HN    VAL   18  15.85 +/- 3.51   1.034% *  0.1091% (0.36   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    VAL   18  13.57 +/- 1.94   0.901% *  0.1091% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.24, residual support = 8.73:
          QB    ALA   64 - HN    VAL   18   7.14 +/- 4.15  79.921% * 99.8612% (0.84   2.25   8.74) =  99.965%  kept
          QD1   LEU  115 - HN    VAL   18  16.16 +/- 2.08  20.079% *  0.1388% (0.13   0.02   0.02) =   0.035%
    Distance limit 4.36 A violated in 9 structures by 2.98 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.417, support = 4.07, residual support = 19.6:
          HN    PHE   59 - HN    PHE   60   2.67 +/- 0.19  62.649% * 57.2137% (0.44   4.28  20.19) =  89.667%  kept
          QE    PHE   59 - HN    THR  118   4.24 +/- 0.42  17.694% * 13.0596% (0.16   2.70  12.22) =   5.781%  kept
          QE    PHE   59 - HN    PHE   60   6.24 +/- 0.89   8.897% * 15.8939% (0.28   1.85  20.19) =   3.537%  kept
          HN    HIS  122 - HN    THR  118   7.06 +/- 0.23   3.530% * 11.0848% (0.21   1.73   3.24) =   0.979%  kept
          HH2   TRP   87 - HN    GLU-  15  22.35 +/- 6.06   1.210% *  0.4399% (0.73   0.02   0.02) =   0.013%
          HN    PHE   59 - HN    THR  118   9.44 +/- 0.91   1.610% *  0.1511% (0.25   0.02  12.22) =   0.006%
          HN    HIS  122 - HN    PHE   60  11.05 +/- 0.91   1.015% *  0.2264% (0.37   0.02   0.02) =   0.006%
          HN    HIS  122 - HN    GLU-  15  23.63 +/- 4.93   0.178% *  0.4851% (0.80   0.02   0.02) =   0.002%
          HN    PHE   59 - HN    GLU-  15  22.46 +/- 2.68   0.144% *  0.5731% (0.95   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    PHE   60   9.51 +/- 0.95   1.549% *  0.0495% (0.08   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    GLU-  15  15.78 +/- 3.55   0.535% *  0.1061% (0.18   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    GLU-  15  21.37 +/- 1.88   0.144% *  0.3674% (0.61   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    PHE   60  18.10 +/- 1.51   0.222% *  0.2053% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    THR  118  19.07 +/- 3.63   0.224% *  0.1160% (0.19   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    THR  118  15.96 +/- 2.83   0.402% *  0.0280% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 5.24, residual support = 41.6:
          HN    ALA   61 - HN    PHE   60   2.80 +/- 0.20  84.387% * 94.9912% (0.47   5.24  41.63) =  99.957%  kept
          HN    THR   39 - HN    GLU-  15  13.22 +/- 3.70   8.607% *  0.1537% (0.20   0.02   0.02) =   0.016%
          HN    TRP   27 - HN    GLU-  15  15.97 +/- 2.98   0.857% *  0.5937% (0.76   0.02   0.02) =   0.006%
          HN    ALA   61 - HN    GLU-  15  18.95 +/- 2.93   0.374% *  0.7768% (1.00   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    THR  118  12.32 +/- 1.03   1.111% *  0.2049% (0.26   0.02   0.02) =   0.003%
          HE3   TRP   87 - HN    GLU-  15  24.76 +/- 5.28   0.328% *  0.6738% (0.87   0.02   0.02) =   0.003%
          HN    TRP   27 - HN    PHE   60  17.54 +/- 3.81   0.792% *  0.2771% (0.36   0.02   0.02) =   0.003%
          HN    ALA   91 - HN    PHE   60  16.23 +/- 1.96   0.500% *  0.3593% (0.46   0.02   0.02) =   0.002%
          HE3   TRP   87 - HN    PHE   60  17.62 +/- 1.48   0.382% *  0.3145% (0.40   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR  118  16.56 +/- 2.74   0.501% *  0.2031% (0.26   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR  118  17.65 +/- 3.41   0.460% *  0.1777% (0.23   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    GLU-  15  29.28 +/- 3.44   0.087% *  0.7699% (0.99   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    GLU-  15  24.70 +/- 4.48   0.212% *  0.1360% (0.18   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  23.65 +/- 3.41   0.183% *  0.1566% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  17.05 +/- 1.55   0.403% *  0.0635% (0.08   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  19.79 +/- 2.67   0.304% *  0.0717% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  18.52 +/- 2.50   0.332% *  0.0359% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  23.67 +/- 3.79   0.181% *  0.0405% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.93, residual support = 72.7:
      O   HB3   PHE   60 - HN    PHE   60   2.74 +/- 0.44  85.539% * 98.9222% (0.47  10.0   4.93  72.74) =  99.990%  kept
          HB3   PHE   60 - HN    THR  118  12.45 +/- 1.70   2.187% *  0.0559% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    PHE   60  15.24 +/- 3.47   2.313% *  0.0482% (0.23   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    THR  118  11.49 +/- 2.95   2.034% *  0.0529% (0.25   1.0   0.02   3.28) =   0.001%
          HB3   PHE   60 - HN    GLU-  15  19.64 +/- 2.50   0.399% *  0.2120% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    THR  118  11.83 +/- 3.96   2.759% *  0.0294% (0.14   1.0   0.02   1.65) =   0.001%
          HB3   TRP   27 - HN    GLU-  15  15.53 +/- 2.25   0.714% *  0.1032% (0.49   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    GLU-  15  23.65 +/- 3.96   0.367% *  0.2005% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    PHE   60  13.51 +/- 2.73   1.298% *  0.0520% (0.25   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    PHE   60  14.99 +/- 1.79   0.690% *  0.0936% (0.44   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    GLU-  15  21.62 +/- 3.91   0.329% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  16.78 +/- 2.70   0.612% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.37 +/- 3.32   0.422% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  23.36 +/- 2.93   0.189% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  26.74 +/- 4.88   0.147% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.03, residual support = 20.2:
          HB3   PHE   59 - HN    PHE   60   3.32 +/- 0.56  90.551% * 96.9839% (0.39   4.03  20.19) =  99.963%  kept
          HB3   PHE   59 - HN    THR  118   8.53 +/- 0.76   6.256% *  0.2722% (0.22   0.02  12.22) =   0.019%
          HB3   TRP   49 - HN    PHE   60  15.96 +/- 1.91   1.203% *  0.4617% (0.37   0.02   0.02) =   0.006%
          HB3   PHE   59 - HN    GLU-  15  22.36 +/- 2.09   0.407% *  1.0320% (0.84   0.02   0.02) =   0.005%
          HB3   TRP   49 - HN    THR  118  21.09 +/- 3.42   1.416% *  0.2609% (0.21   0.02   0.02) =   0.004%
          HB3   TRP   49 - HN    GLU-  15  30.04 +/- 4.89   0.166% *  0.9893% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.75 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.74, residual support = 5.14:
        T HN    SER  117 - HN    THR  118   2.62 +/- 0.18  97.805% * 97.7507% (0.17 10.00   2.74   5.14) =  99.976%  kept
        T HN    SER  117 - HN    PHE   60  11.61 +/- 0.92   1.241% *  1.7701% (0.30 10.00   0.02   0.02) =   0.023%
          HN    GLY   16 - HN    PHE   60  18.53 +/- 2.55   0.381% *  0.1969% (0.34  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    PHE   60  20.90 +/- 2.45   0.245% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  24.71 +/- 2.93   0.150% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  24.07 +/- 2.82   0.177% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 40.5:
          QG2   THR  118 - HN    THR  118   3.52 +/- 0.15  85.799% * 84.4078% (0.13   4.65  41.77) =  97.033%  kept
          QG2   THR  118 - HN    PHE   60   7.64 +/- 1.37  14.201% * 15.5922% (0.23   0.47   0.02) =   2.967%  kept
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.16, support = 4.5, residual support = 61.3:
      O   HA    PHE   60 - HN    PHE   60   2.76 +/- 0.09  23.063% * 79.4229% (0.22  10.0   4.93  72.74) =  64.561%  kept
      O   HB    THR  118 - HN    THR  118   2.10 +/- 0.14  51.247% * 18.8505% (0.05  10.0   3.73  41.77) =  34.048%  kept
          QB    SER  117 - HN    THR  118   2.76 +/- 0.28  24.182% *  1.6296% (0.03   1.0   3.12   5.14) =   1.389%  kept
          HB    THR  118 - HN    PHE   60   9.67 +/- 1.16   0.814% *  0.0341% (0.09   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    THR  118  11.42 +/- 1.47   0.402% *  0.0439% (0.12   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   60  11.99 +/- 0.70   0.292% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 4.63, residual support = 42.2:
      O   HA    THR  118 - HN    THR  118   2.84 +/- 0.02  59.517% * 70.8770% (0.14  10.0   4.62  41.77) =  93.437%  kept
          HA    ILE  119 - HN    THR  118   5.08 +/- 0.10  10.479% * 22.9698% (0.17   1.0   5.52  59.97) =   5.331%  kept
          HD3   PRO   58 - HN    PHE   60   4.46 +/- 0.66  18.946% *  2.5293% (0.06   1.0   1.72   0.02) =   1.061%  kept
          HA    ILE  119 - HN    PHE   60   8.22 +/- 0.76   2.748% *  2.4344% (0.30   1.0   0.32   0.02) =   0.148%  kept
          HA    THR  118 - HN    PHE   60  11.53 +/- 1.18   1.081% *  0.5721% (0.26   1.0   0.09   0.02) =   0.014%
          HA2   GLY  109 - HN    THR  118  10.63 +/- 2.64   2.832% *  0.0416% (0.08   1.0   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    PHE   60  12.17 +/- 2.07   1.068% *  0.0630% (0.13   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    PHE   60  15.37 +/- 1.75   0.453% *  0.1403% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    PHE   60  16.98 +/- 1.61   0.311% *  0.1086% (0.22   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    PHE   60  15.51 +/- 2.13   0.429% *  0.0753% (0.15   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    THR  118  10.78 +/- 1.53   1.408% *  0.0162% (0.03   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    THR  118  20.70 +/- 2.93   0.241% *  0.0775% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  19.04 +/- 2.13   0.223% *  0.0600% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  18.24 +/- 2.02   0.265% *  0.0348% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.986, support = 4.0, residual support = 20.1:
      O   HA    PHE   59 - HN    PHE   60   3.52 +/- 0.11  57.245% * 98.7427% (0.99  10.0   4.01  20.19) =  99.701%  kept
          HA    ILE   56 - HN    PHE   60   5.33 +/- 0.99  21.228% *  0.7567% (0.15   1.0   0.99   3.84) =   0.283%  kept
          HA    ASP- 113 - HN    THR  118   7.29 +/- 0.60   6.891% *  0.0484% (0.48   1.0   0.02   0.02) =   0.006%
          HA    PHE   59 - HN    THR  118   8.89 +/- 0.64   3.695% *  0.0796% (0.80   1.0   0.02  12.22) =   0.005%
          HA    ASP- 113 - HN    PHE   60  12.69 +/- 1.76   1.551% *  0.0600% (0.60   1.0   0.02   0.02) =   0.002%
          HA    ILE   56 - HN    THR  118  10.33 +/- 0.80   2.353% *  0.0123% (0.12   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  15  18.52 +/- 5.87   2.404% *  0.0109% (0.11   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  18.90 +/- 1.64   0.405% *  0.0600% (0.60   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  18.82 +/- 3.35   0.496% *  0.0484% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.19 +/- 2.88   0.535% *  0.0275% (0.28   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  21.08 +/- 2.39   0.308% *  0.0393% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  18.66 +/- 3.64   0.533% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  15.68 +/- 2.51   1.268% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  26.82 +/- 4.76   0.325% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  21.93 +/- 2.82   0.279% *  0.0173% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  25.36 +/- 4.45   0.212% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  30.57 +/- 2.81   0.096% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  25.24 +/- 2.82   0.176% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 4.83, residual support = 69.0:
      O   HA    PHE   60 - HN    PHE   60   2.76 +/- 0.09  46.551% * 94.2157% (0.96  10.0   4.93  72.74) =  94.451%  kept
          QB    SER  117 - HN    THR  118   2.76 +/- 0.28  46.864% *  5.4951% (0.36   1.0   3.12   5.14) =   5.546%  kept
          HA    PHE   60 - HN    THR  118  11.42 +/- 1.47   0.872% *  0.0759% (0.77   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    THR  118   7.55 +/- 0.49   2.411% *  0.0138% (0.14   1.0   0.02   5.97) =   0.001%
          QB    SER  117 - HN    PHE   60  11.99 +/- 0.70   0.603% *  0.0438% (0.44   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    PHE   60  12.84 +/- 1.11   0.495% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.65 +/- 1.70   0.784% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  13.95 +/- 0.94   0.380% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  19.19 +/- 1.98   0.147% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.42 +/- 1.36   0.435% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  18.81 +/- 1.75   0.159% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  26.15 +/- 2.93   0.064% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  25.64 +/- 5.22   0.097% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  24.24 +/- 3.58   0.090% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  29.13 +/- 4.28   0.048% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.558, support = 4.03, residual support = 34.8:
          HG12  ILE  119 - HN    THR  118   4.35 +/- 0.50  16.177% * 56.3315% (0.72   5.43  59.97) =  54.231%  kept
          QG    GLU-  14 - HN    GLU-  15   3.66 +/- 0.76  27.838% * 14.1640% (0.36   2.69   1.51) =  23.465%  kept
          QG    GLU-  15 - HN    GLU-  15   3.50 +/- 0.75  31.191% * 10.3856% (0.32   2.27   9.79) =  19.278%  kept
          HG12  ILE  119 - HN    PHE   60   7.11 +/- 0.79   3.665% *  6.0582% (0.89   0.47   0.02) =   1.321%  kept
          HB2   ASP-  44 - HN    PHE   60   7.73 +/- 1.40   3.651% *  4.0145% (0.89   0.31   2.16) =   0.872%  kept
          HB3   PHE   72 - HN    PHE   60  11.26 +/- 1.94   1.396% *  4.7442% (0.96   0.34   8.05) =   0.394%  kept
          HB2   ASP- 105 - HN    THR  118   9.06 +/- 4.35   5.386% *  1.1737% (0.11   0.75   5.21) =   0.376%  kept
          HB2   ASP-  44 - HN    THR  118  13.83 +/- 2.16   0.602% *  0.2074% (0.72   0.02   0.02) =   0.007%
          HB2   GLU-  29 - HN    GLU-  15  14.91 +/- 4.27   2.058% *  0.0600% (0.21   0.02   0.02) =   0.007%
          QB    MET   11 - HN    GLU-  15   9.92 +/- 1.63   2.886% *  0.0389% (0.13   0.02   0.02) =   0.007%
          QG    GLN   90 - HN    THR  118  16.67 +/- 3.02   0.353% *  0.2292% (0.79   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    PHE   60  16.63 +/- 1.54   0.283% *  0.2844% (0.98   0.02   0.02) =   0.005%
          HB3   PHE   72 - HN    GLU-  15  12.85 +/- 3.05   0.704% *  0.1101% (0.38   0.02   0.02) =   0.005%
          HG3   MET   92 - HN    PHE   60  14.73 +/- 2.87   0.514% *  0.1180% (0.41   0.02   0.02) =   0.004%
          HB3   PHE   72 - HN    THR  118  17.28 +/- 2.50   0.267% *  0.2232% (0.77   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    PHE   60  18.74 +/- 3.12   0.224% *  0.2649% (0.91   0.02   0.02) =   0.004%
          QG    GLU-  15 - HN    PHE   60  18.80 +/- 2.12   0.216% *  0.2298% (0.79   0.02   0.02) =   0.003%
          HG3   MET   92 - HN    THR  118  16.52 +/- 2.67   0.431% *  0.0951% (0.33   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    PHE   60  20.70 +/- 3.99   0.258% *  0.1510% (0.52   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    PHE   60  13.30 +/- 2.89   0.918% *  0.0388% (0.13   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLU-  15  18.25 +/- 3.57   0.227% *  0.1024% (0.35   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    THR  118  24.25 +/- 3.83   0.106% *  0.2135% (0.74   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    THR  118  24.03 +/- 2.68   0.098% *  0.1852% (0.64   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    THR  118  26.31 +/- 4.13   0.095% *  0.1217% (0.42   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    GLU-  15  24.17 +/- 3.01   0.091% *  0.1024% (0.35   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  15  26.89 +/- 3.28   0.068% *  0.1131% (0.39   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  25.49 +/- 3.02   0.074% *  0.0979% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  31.52 +/- 3.76   0.040% *  0.0789% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  29.52 +/- 4.25   0.056% *  0.0469% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.88 +/- 3.32   0.126% *  0.0154% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.153, support = 1.68, residual support = 8.34:
      O   QB    GLU-  15 - HN    GLU-  15   2.91 +/- 0.35  45.564% * 43.3011% (0.06  10.0   1.83   9.79) =  85.094%  kept
          HG3   PRO   58 - HN    PHE   60   6.09 +/- 0.41   5.542% * 31.0965% (0.89   1.0   0.90   0.02) =   7.433%  kept
          QB    GLU- 114 - HN    THR  118   5.33 +/- 0.62   9.157% * 15.9159% (0.48   1.0   0.84   0.11) =   6.286%  kept
          HB2   LEU  115 - HN    THR  118   5.52 +/- 0.34   6.998% *  2.3457% (0.69   1.0   0.09   0.12) =   0.708%  kept
          HB2   GLN   17 - HN    GLU-  15   5.37 +/- 1.13  12.630% *  0.3045% (0.06   1.0   0.13   0.02) =   0.166%  kept
          HB    ILE   19 - HN    PHE   60  14.54 +/- 2.69   3.403% *  0.5294% (0.68   1.0   0.02   0.02) =   0.078%
          HB2   LEU  115 - HN    PHE   60   8.87 +/- 1.25   2.101% *  0.6686% (0.86   1.0   0.02   0.02) =   0.061%
          HG3   PRO   58 - HN    THR  118  10.85 +/- 2.60   2.212% *  0.5571% (0.72   1.0   0.02   0.02) =   0.053%
          HB    ILE   19 - HN    GLU-  15   9.87 +/- 1.85   2.516% *  0.2106% (0.27   1.0   0.02   0.02) =   0.023%
          HB2   LEU   67 - HN    PHE   60  11.45 +/- 1.63   1.080% *  0.3752% (0.48   1.0   0.02   0.02) =   0.017%
          QB    GLU- 114 - HN    PHE   60  12.19 +/- 1.21   0.726% *  0.4675% (0.60   1.0   0.02   0.02) =   0.015%
          HB2   LEU   67 - HN    GLU-  15  13.58 +/- 4.05   2.078% *  0.1492% (0.19   1.0   0.02   0.02) =   0.013%
          HG2   PRO   68 - HN    PHE   60  15.24 +/- 1.74   0.382% *  0.5890% (0.76   1.0   0.02   0.02) =   0.010%
          HG2   PRO   68 - HN    GLU-  15  15.00 +/- 4.65   0.821% *  0.2343% (0.30   1.0   0.02   0.02) =   0.008%
          HB    VAL   18 - HN    PHE   60  13.33 +/- 3.11   0.841% *  0.1922% (0.25   1.0   0.02   0.32) =   0.007%
          HG2   PRO   68 - HN    THR  118  19.90 +/- 4.98   0.248% *  0.4747% (0.61   1.0   0.02   0.02) =   0.005%
          HB    VAL   18 - HN    GLU-  15  10.21 +/- 1.02   1.340% *  0.0764% (0.10   1.0   0.02   0.02) =   0.004%
          HB2   LEU   67 - HN    THR  118  17.51 +/- 2.87   0.271% *  0.3023% (0.39   1.0   0.02   0.02) =   0.004%
          HB    ILE   19 - HN    THR  118  21.38 +/- 2.86   0.168% *  0.4267% (0.55   1.0   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    PHE   60  16.87 +/- 2.33   0.387% *  0.1189% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    PHE   60  21.99 +/- 4.17   0.214% *  0.2143% (0.28   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    GLU-  15  24.72 +/- 3.78   0.147% *  0.2749% (0.35   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    GLU-  15  19.50 +/- 4.49   0.384% *  0.0852% (0.11   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    PHE   60  18.98 +/- 2.00   0.217% *  0.1189% (0.15   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    THR  118  20.61 +/- 2.66   0.158% *  0.1549% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    GLU-  15  26.46 +/- 2.49   0.070% *  0.2659% (0.34   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  15  27.23 +/- 2.47   0.066% *  0.1859% (0.24   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    THR  118  27.77 +/- 3.73   0.071% *  0.1727% (0.22   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    THR  118  24.39 +/- 3.02   0.106% *  0.0958% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  23.80 +/- 2.79   0.102% *  0.0958% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.102, support = 2.09, residual support = 3.73:
          QG1   ILE   56 - HN    PHE   60   3.61 +/- 0.71  50.952% * 44.8500% (0.09   2.16   3.84) =  96.748%  kept
          QD    LYS+  99 - HN    GLU-  15  17.19 +/- 5.91   3.095% *  3.6047% (0.80   0.02   0.02) =   0.472%  kept
          HB2   LEU   73 - HN    PHE   60  12.50 +/- 3.21   4.837% *  2.0276% (0.45   0.02   2.12) =   0.415%  kept
          HB2   LEU   73 - HN    GLU-  15  14.20 +/- 3.48   1.988% *  4.3445% (0.97   0.02   0.02) =   0.366%  kept
          HG3   PRO   93 - HN    PHE   60  10.97 +/- 3.55   4.985% *  1.6056% (0.36   0.02   0.02) =   0.339%  kept
          HB2   LEU  123 - HN    THR  118   9.12 +/- 0.80   4.266% *  0.9507% (0.21   0.02   0.02) =   0.172%  kept
          HB3   MET   92 - HN    PHE   60  13.08 +/- 2.82   1.783% *  2.1010% (0.47   0.02   0.02) =   0.159%  kept
          HD2   LYS+ 111 - HN    THR  118  11.30 +/- 1.34   2.624% *  1.1638% (0.26   0.02   0.02) =   0.129%  kept
          QD    LYS+ 106 - HN    THR  118  11.16 +/- 2.78   2.997% *  0.9917% (0.22   0.02   3.28) =   0.126%  kept
          HB2   LEU  123 - HN    PHE   60  12.89 +/- 1.37   1.689% *  1.6824% (0.37   0.02   0.02) =   0.120%  kept
          HD2   LYS+ 111 - HN    PHE   60  16.03 +/- 2.32   1.013% *  2.0594% (0.46   0.02   0.02) =   0.088%
          HB2   LEU   73 - HN    THR  118  18.91 +/- 4.16   1.723% *  1.1458% (0.25   0.02   0.02) =   0.084%
          QD    LYS+ 102 - HN    GLU-  15  22.67 +/- 5.15   0.772% *  2.5487% (0.57   0.02   0.02) =   0.083%
          HG3   PRO   93 - HN    THR  118  12.71 +/- 2.94   2.010% *  0.9073% (0.20   0.02   0.02) =   0.077%
          QD    LYS+  38 - HN    GLU-  15  14.51 +/- 3.07   1.698% *  1.0022% (0.22   0.02   0.02) =   0.072%
          QD    LYS+ 106 - HN    PHE   60  14.24 +/- 1.61   0.967% *  1.7549% (0.39   0.02   0.02) =   0.072%
          QD    LYS+ 106 - HN    GLU-  15  23.52 +/- 3.64   0.430% *  3.7602% (0.84   0.02   0.02) =   0.068%
          HB2   LEU  123 - HN    GLU-  15  24.94 +/- 5.74   0.431% *  3.6047% (0.80   0.02   0.02) =   0.066%
          QG1   ILE   56 - HN    THR  118   8.36 +/- 1.01   6.438% *  0.2350% (0.05   0.02   0.02) =   0.064%
          HB3   MET   92 - HN    THR  118  14.92 +/- 2.46   1.102% *  1.1873% (0.26   0.02   0.02) =   0.055%
          QD    LYS+  99 - HN    PHE   60  16.93 +/- 3.40   0.662% *  1.6824% (0.37   0.02   0.02) =   0.047%
          QD    LYS+  99 - HN    THR  118  16.77 +/- 3.28   1.061% *  0.9507% (0.21   0.02   0.02) =   0.043%
          HB3   MET   92 - HN    GLU-  15  28.37 +/- 3.57   0.165% *  4.5018% (1.00   0.02   0.02) =   0.031%
          HG3   PRO   93 - HN    GLU-  15  27.55 +/- 3.31   0.167% *  3.4404% (0.76   0.02   0.02) =   0.024%
          HD2   LYS+ 111 - HN    GLU-  15  33.17 +/- 3.78   0.111% *  4.4126% (0.98   0.02   0.02) =   0.021%
          QD    LYS+ 102 - HN    THR  118  18.59 +/- 3.79   0.590% *  0.6722% (0.15   0.02   0.02) =   0.017%
          QD    LYS+ 102 - HN    PHE   60  20.53 +/- 2.32   0.318% *  1.1895% (0.26   0.02   0.02) =   0.016%
          QG1   ILE   56 - HN    GLU-  15  21.19 +/- 2.16   0.319% *  0.8909% (0.20   0.02   0.02) =   0.012%
          QD    LYS+  38 - HN    PHE   60  20.40 +/- 3.48   0.463% *  0.4678% (0.10   0.02   0.02) =   0.009%
          QD    LYS+  38 - HN    THR  118  23.32 +/- 4.14   0.345% *  0.2643% (0.06   0.02   0.02) =   0.004%
    Distance limit 4.35 A violated in 0 structures by 0.02 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.249, support = 2.62, residual support = 40.6:
          QB    ALA   61 - HN    PHE   60   4.35 +/- 0.19  30.160% * 72.7478% (0.25   2.69  41.63) =  97.400%  kept
          HG12  ILE   19 - HN    GLU-  15   8.49 +/- 2.17   8.413% *  1.8421% (0.84   0.02   0.02) =   0.688%  kept
          QB    ALA   12 - HN    GLU-  15   7.15 +/- 1.35  10.506% *  0.8277% (0.38   0.02   0.02) =   0.386%  kept
          HD3   LYS+ 121 - HN    THR  118   7.74 +/- 1.70  10.034% *  0.5369% (0.24   0.02   5.97) =   0.239%  kept
          HG12  ILE   19 - HN    PHE   60  15.33 +/- 3.23   5.511% *  0.8597% (0.39   0.02   0.02) =   0.210%  kept
          HB3   LEU   67 - HN    GLU-  15  13.96 +/- 4.10   3.858% *  0.8277% (0.38   0.02   0.02) =   0.142%  kept
          HB3   LYS+  74 - HN    PHE   60  12.44 +/- 3.06   2.804% *  0.9231% (0.42   0.02   0.02) =   0.115%  kept
          QB    ALA  110 - HN    PHE   60  11.95 +/- 2.68   2.810% *  0.7866% (0.36   0.02   0.02) =   0.098%
          QB    ALA  110 - HN    THR  118   8.91 +/- 1.31   4.395% *  0.4445% (0.20   0.02   0.02) =   0.087%
          QB    LEU   98 - HN    GLU-  15  17.72 +/- 4.27   1.243% *  1.4267% (0.65   0.02   0.02) =   0.079%
          HB3   LYS+  74 - HN    GLU-  15  15.33 +/- 3.32   0.891% *  1.9778% (0.90   0.02   0.02) =   0.078%
          HD3   LYS+ 121 - HN    PHE   60  13.27 +/- 1.75   1.282% *  0.9501% (0.43   0.02   0.02) =   0.054%
          QB    ALA   61 - HN    GLU-  15  15.06 +/- 3.03   1.004% *  1.1603% (0.53   0.02   0.02) =   0.052%
          HB3   LEU   67 - HN    PHE   60  11.21 +/- 1.58   2.198% *  0.3863% (0.18   0.02   0.02) =   0.038%
          QG    LYS+  66 - HN    PHE   60   9.67 +/- 1.29   3.429% *  0.2291% (0.10   0.02   0.02) =   0.035%
          HD3   LYS+ 121 - HN    GLU-  15  24.98 +/- 4.94   0.376% *  2.0358% (0.92   0.02   0.02) =   0.034%
          HB2   LEU   80 - HN    GLU-  15  23.01 +/- 5.86   0.332% *  2.1858% (0.99   0.02   0.02) =   0.032%
          HG    LEU   80 - HN    GLU-  15  23.13 +/- 6.95   0.414% *  1.6014% (0.73   0.02   0.02) =   0.029%
          HB2   LEU   80 - HN    PHE   60  17.75 +/- 3.49   0.629% *  1.0201% (0.46   0.02   0.02) =   0.029%
          QB    ALA   61 - HN    THR  118  11.52 +/- 1.31   1.980% *  0.3060% (0.14   0.02   0.02) =   0.027%
          QB    LEU   98 - HN    PHE   60  15.08 +/- 1.79   0.868% *  0.6658% (0.30   0.02   0.02) =   0.026%
          QG    LYS+  66 - HN    GLU-  15  15.51 +/- 3.83   1.111% *  0.4910% (0.22   0.02   0.02) =   0.024%
          HG    LEU   80 - HN    PHE   60  18.78 +/- 3.81   0.526% *  0.7474% (0.34   0.02   0.02) =   0.017%
          QB    LEU   98 - HN    THR  118  15.28 +/- 2.91   0.872% *  0.3763% (0.17   0.02   0.02) =   0.015%
          QB    ALA  110 - HN    GLU-  15  26.32 +/- 3.01   0.157% *  1.6854% (0.76   0.02   0.02) =   0.012%
          HB3   LYS+  74 - HN    THR  118  19.60 +/- 2.78   0.400% *  0.5216% (0.24   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    THR  118  14.46 +/- 3.65   1.584% *  0.1295% (0.06   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    THR  118  22.06 +/- 3.07   0.355% *  0.5765% (0.26   0.02   0.02) =   0.009%
          HG    LEU   80 - HN    THR  118  23.00 +/- 3.66   0.413% *  0.4223% (0.19   0.02   0.02) =   0.008%
          HB3   LEU   67 - HN    THR  118  17.52 +/- 3.58   0.750% *  0.2183% (0.10   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    THR  118  22.20 +/- 3.29   0.290% *  0.4858% (0.22   0.02   0.02) =   0.006%
          QB    ALA   12 - HN    PHE   60  22.26 +/- 3.29   0.275% *  0.3863% (0.18   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    THR  118  27.81 +/- 3.48   0.132% *  0.2183% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.49 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   2.03 +/- 0.08  78.705% * 97.8324% (0.89  10.0   3.69  25.11) =  99.920%  kept
          QG2   THR   77 - HN    LEU   80   6.15 +/- 1.16   3.706% *  1.4767% (0.20   1.0   1.36   0.60) =   0.071%
          QG2   THR   77 - HN    ALA   34  16.67 +/- 3.70   7.251% *  0.0243% (0.22   1.0   0.02   0.02) =   0.002%
          QG2   THR   39 - HN    ALA   34   6.71 +/- 1.54   5.572% *  0.0303% (0.28   1.0   0.02   6.44) =   0.002%
          QG2   THR   23 - HN    LEU   80  12.21 +/- 5.14   1.714% *  0.0968% (0.89   1.0   0.02   0.65) =   0.002%
          HG3   LYS+  38 - HN    ALA   34   8.92 +/- 1.08   1.311% *  0.0574% (0.52   1.0   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    LEU   80  16.01 +/- 3.46   0.379% *  0.0876% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.25 +/- 0.88   0.297% *  0.1081% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  15.46 +/- 2.75   0.265% *  0.0709% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  12.52 +/- 2.01   0.409% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.50 +/- 2.58   0.110% *  0.0792% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  17.74 +/- 2.48   0.160% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  25.84 +/- 3.68   0.055% *  0.0514% (0.47   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  22.03 +/- 1.50   0.066% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.56, support = 3.55, residual support = 25.6:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.03  71.003% * 77.5358% (0.56  10.0   3.49  25.11) =  95.542%  kept
          HA    LYS+  81 - HN    LEU   80   4.78 +/- 0.40  14.343% * 16.3791% (0.47   1.0   5.08  40.48) =   4.077%  kept
          HA    GLU-  36 - HN    ALA   34   6.98 +/- 0.11   4.334% *  4.8499% (0.41   1.0   1.72   0.36) =   0.365%  kept
          HA    ASN   28 - HN    ALA   34   7.72 +/- 0.32   3.251% *  0.1047% (0.76   1.0   0.02   0.02) =   0.006%
          HA    ALA  124 - HN    ALA   34  24.83 +/- 8.74   1.321% *  0.1264% (0.92   1.0   0.02   0.02) =   0.003%
          HA1   GLY  101 - HN    ALA   34  14.34 +/- 4.94   2.043% *  0.0514% (0.37   1.0   0.02   0.02) =   0.002%
          HA    ARG+  54 - HN    LEU   80  18.78 +/- 4.14   0.646% *  0.1202% (0.88   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LEU   80  15.91 +/- 5.40   0.809% *  0.0937% (0.68   1.0   0.02   1.20) =   0.001%
          HA    ALA  124 - HN    LEU   80  29.20 +/- 5.37   0.413% *  0.1132% (0.82   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    LEU   80  20.57 +/- 3.99   0.437% *  0.0694% (0.51   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    ALA   34  25.17 +/- 3.75   0.169% *  0.1342% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.01 +/- 1.66   0.202% *  0.0891% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  22.42 +/- 4.20   0.218% *  0.0721% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.35 +/- 3.40   0.157% *  0.0994% (0.72   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.00 +/- 4.05   0.294% *  0.0460% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  26.08 +/- 4.27   0.139% *  0.0504% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.37 +/- 1.89   0.124% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  27.14 +/- 3.66   0.096% *  0.0341% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 7.16, residual support = 39.5:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.04  39.330% * 87.8522% (0.99  10.0   7.35  41.78) =  94.467%  kept
          HA    GLN   32 - HN    ALA   34   4.28 +/- 0.36  23.491% *  7.1034% (0.34   1.0   4.70   0.70) =   4.562%  kept
          HB2   SER   82 - HN    LEU   80   7.00 +/- 1.09   9.755% *  2.1253% (0.85   1.0   0.57   0.37) =   0.567%  kept
          HA    GLU-  29 - HN    ALA   34   6.64 +/- 0.80   6.795% *  1.6279% (0.99   1.0   0.37   0.02) =   0.302%  kept
          HB2   SER   37 - HN    ALA   34   6.50 +/- 1.08   7.941% *  0.3770% (0.17   1.0   0.49   0.51) =   0.082%
          HA    VAL   70 - HN    ALA   34  10.98 +/- 2.21   3.167% *  0.0710% (0.80   1.0   0.02   0.02) =   0.006%
          HA    SER   48 - HN    LEU   80  12.70 +/- 4.83   2.997% *  0.0482% (0.54   1.0   0.02   0.02) =   0.004%
          HA    VAL   18 - HN    ALA   34  12.45 +/- 1.91   1.181% *  0.0869% (0.98   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LEU   80  16.79 +/- 5.54   0.734% *  0.0778% (0.88   1.0   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    LEU   80  22.46 +/- 4.81   0.482% *  0.0787% (0.89   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  19.46 +/- 5.27   0.403% *  0.0787% (0.89   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    LEU   80  12.53 +/- 1.55   1.033% *  0.0298% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  22.00 +/- 6.07   0.301% *  0.0838% (0.94   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    ALA   34  23.93 +/- 4.45   0.312% *  0.0538% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  19.63 +/- 1.82   0.263% *  0.0636% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.43 +/- 3.96   0.177% *  0.0710% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  22.34 +/- 2.14   0.177% *  0.0636% (0.72   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  17.06 +/- 4.33   0.615% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  21.28 +/- 5.14   0.322% *  0.0271% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  23.89 +/- 3.14   0.153% *  0.0333% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  22.92 +/- 3.08   0.233% *  0.0139% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  26.30 +/- 3.74   0.138% *  0.0175% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.755, support = 5.59, residual support = 40.5:
          HG3   LYS+  33 - HN    ALA   34   2.97 +/- 0.68  59.319% * 83.5641% (0.76   5.74  41.78) =  96.879%  kept
          QB    ALA   84 - HN    LEU   80   5.50 +/- 0.95  15.119% * 10.2128% (0.54   0.99   0.02) =   3.018%  kept
          HB    VAL   42 - HN    ALA   34  11.33 +/- 1.21   1.927% *  0.3182% (0.83   0.02   0.02) =   0.012%
          HB3   LEU   73 - HN    ALA   34  10.71 +/- 1.17   1.694% *  0.3416% (0.89   0.02   0.02) =   0.011%
          HG3   LYS+  65 - HN    LEU   80  16.94 +/- 4.41   1.847% *  0.2850% (0.75   0.02   0.02) =   0.010%
          HB3   LEU   73 - HN    LEU   80  12.48 +/- 2.63   1.428% *  0.3060% (0.80   0.02   0.02) =   0.009%
          QB    ALA  124 - HN    ALA   34  21.39 +/- 7.30   2.984% *  0.1430% (0.37   0.02   0.02) =   0.008%
          HG    LEU   98 - HN    ALA   34  13.79 +/- 3.55   1.503% *  0.1854% (0.49   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HN    LEU   80  19.82 +/- 4.83   1.046% *  0.2607% (0.68   0.02   0.02) =   0.005%
          HG3   LYS+ 102 - HN    ALA   34  18.14 +/- 4.51   0.612% *  0.3516% (0.92   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    ALA   34  18.09 +/- 3.34   0.583% *  0.3182% (0.83   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LEU   80  14.44 +/- 2.41   0.778% *  0.2207% (0.58   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LEU   80  15.83 +/- 1.62   0.563% *  0.2850% (0.75   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    LEU   80  15.49 +/- 3.39   0.888% *  0.1661% (0.44   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LEU   80  16.97 +/- 3.07   0.432% *  0.3404% (0.89   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ALA   34  12.23 +/- 3.42   2.140% *  0.0667% (0.17   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    ALA   34  19.30 +/- 2.60   0.364% *  0.3801% (1.00   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    ALA   34  15.64 +/- 3.29   0.856% *  0.1430% (0.37   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LEU   80  21.73 +/- 5.30   0.353% *  0.3149% (0.82   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LEU   80  11.99 +/- 2.14   1.258% *  0.0851% (0.22   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    ALA   34  18.57 +/- 2.84   0.423% *  0.2310% (0.61   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LEU   80  21.29 +/- 3.13   0.218% *  0.3293% (0.86   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   80  14.39 +/- 2.95   0.988% *  0.0597% (0.16   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   34  16.59 +/- 3.03   0.793% *  0.0667% (0.17   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   34  22.27 +/- 2.50   0.192% *  0.2464% (0.65   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   34  16.28 +/- 1.09   0.491% *  0.0950% (0.25   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   34  26.84 +/- 3.62   0.122% *  0.3676% (0.96   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   80  25.41 +/- 4.37   0.334% *  0.1280% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  16.63 +/- 2.26   0.548% *  0.0597% (0.16   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   80  23.42 +/- 4.45   0.196% *  0.1280% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.733, support = 5.42, residual support = 39.6:
          QB    LYS+  33 - HN    ALA   34   3.31 +/- 0.41  53.437% * 46.0581% (0.72   5.93  41.78) =  75.258%  kept
          QB    LYS+  81 - HN    LEU   80   5.10 +/- 0.44  17.617% * 36.9496% (0.78   4.44  40.48) =  19.904%  kept
          HB3   GLN   30 - HN    ALA   34   5.88 +/- 0.64  12.036% * 12.5278% (0.69   1.70   1.56) =   4.611%  kept
          HB3   LYS+  38 - HN    ALA   34   8.69 +/- 0.86   3.763% *  1.5233% (0.87   0.16   0.02) =   0.175%  kept
          HB3   GLN   90 - HN    LEU   80  13.21 +/- 3.26   2.224% *  0.1535% (0.72   0.02   0.02) =   0.010%
          HG2   ARG+  54 - HN    LEU   80  19.49 +/- 4.49   1.608% *  0.1085% (0.51   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    LEU   80  14.97 +/- 1.86   0.784% *  0.1719% (0.80   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    LEU   80  19.41 +/- 3.59   1.135% *  0.1163% (0.54   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    LEU   80  15.86 +/- 4.75   0.890% *  0.1317% (0.61   0.02   0.02) =   0.004%
          HB2   MET   92 - HN    LEU   80  14.32 +/- 3.49   1.035% *  0.1008% (0.47   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    LEU   80  18.90 +/- 4.27   0.559% *  0.1392% (0.65   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  18.87 +/- 2.75   0.412% *  0.1850% (0.86   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   34  18.10 +/- 2.17   0.382% *  0.1919% (0.89   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ALA   34  16.94 +/- 2.88   0.667% *  0.1042% (0.49   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU   80  18.32 +/- 4.11   0.620% *  0.1008% (0.47   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  18.61 +/- 2.91   0.419% *  0.1298% (0.61   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   34  21.34 +/- 4.23   0.273% *  0.1856% (0.87   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ALA   34  18.12 +/- 3.32   0.444% *  0.1126% (0.52   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    ALA   34  22.96 +/- 2.55   0.213% *  0.2065% (0.96   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  24.89 +/- 3.39   0.160% *  0.1663% (0.78   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   80  20.80 +/- 3.58   0.380% *  0.0654% (0.30   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  25.93 +/- 2.44   0.127% *  0.1714% (0.80   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.76 +/- 2.67   0.233% *  0.0933% (0.44   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  26.78 +/- 3.53   0.174% *  0.1212% (0.56   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ALA   34  22.35 +/- 3.89   0.253% *  0.0730% (0.34   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ALA   34  25.84 +/- 2.43   0.153% *  0.1126% (0.52   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 0.529, support = 7.32, residual support = 80.2:
      O   HA    LEU   80 - HN    LEU   80   2.64 +/- 0.29  72.705% * 73.7923% (0.50  10.0   7.62  85.83) =  92.929%  kept
          HA    ASP-  78 - HN    LEU   80   4.88 +/- 1.06  16.714% * 23.7557% (0.94   1.0   3.39   6.21) =   6.877%  kept
          HA    THR   23 - HN    LEU   80  12.92 +/- 6.52   5.346% *  2.0302% (0.85   1.0   0.32   0.65) =   0.188%  kept
          HB    THR   23 - HN    LEU   80  14.20 +/- 6.50   2.724% *  0.0526% (0.36   1.0   0.02   0.65) =   0.002%
          HA    ASP-  78 - HN    ALA   34  22.63 +/- 4.33   0.578% *  0.1157% (0.78   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.18 +/- 0.66   0.423% *  0.1040% (0.70   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ALA   34  14.52 +/- 1.38   0.548% *  0.0435% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  20.33 +/- 5.44   0.378% *  0.0610% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  19.85 +/- 3.58   0.365% *  0.0246% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  19.85 +/- 2.97   0.220% *  0.0203% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 5.57, residual support = 49.0:
      O   HA    GLU-  79 - HN    LEU   80   3.46 +/- 0.27  63.701% * 95.0483% (0.76  10.0   5.60  49.30) =  99.305%  kept
          HB    THR   77 - HN    LEU   80   6.76 +/- 1.45  12.851% *  2.4871% (0.29   1.0   1.36   0.60) =   0.524%  kept
          HA    THR   39 - HN    ALA   34   8.04 +/- 0.99   6.323% *  1.5163% (0.68   1.0   0.36   6.44) =   0.157%  kept
          HB    THR   77 - HN    ALA   34  21.07 +/- 4.66   4.746% *  0.0303% (0.24   1.0   0.02   0.02) =   0.002%
          HA1   GLY   51 - HN    LEU   80  18.45 +/- 4.84   1.198% *  0.1123% (0.89   1.0   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    LEU   80  18.07 +/- 4.23   0.979% *  0.1164% (0.93   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HN    LEU   80  10.71 +/- 0.96   2.582% *  0.0366% (0.29   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    LEU   80  11.82 +/- 1.55   1.899% *  0.0296% (0.24   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   34  20.44 +/- 3.69   0.692% *  0.0786% (0.63   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA   34  21.38 +/- 2.96   0.472% *  0.0962% (0.77   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    LEU   80  17.91 +/- 3.64   0.778% *  0.0488% (0.39   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   34  15.99 +/- 3.31   0.891% *  0.0403% (0.32   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU   80  21.83 +/- 2.59   0.323% *  0.1030% (0.82   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ALA   34  28.00 +/- 3.97   0.206% *  0.0928% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  16.14 +/- 0.85   0.669% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  19.96 +/- 4.47   0.735% *  0.0219% (0.17   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.95 +/- 5.07   0.326% *  0.0273% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  24.83 +/- 2.41   0.252% *  0.0330% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  23.75 +/- 3.72   0.237% *  0.0303% (0.24   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  29.49 +/- 5.83   0.139% *  0.0264% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 5.54, residual support = 45.5:
          HB3   GLU-  79 - HN    LEU   80   3.29 +/- 0.77  60.532% * 74.9819% (0.79   5.88  49.30) =  92.301%  kept
          QB    GLU-  36 - HN    ALA   34   5.34 +/- 0.59  18.647% * 18.9102% (0.70   1.67   0.36) =   7.171%  kept
          HB3   GLU-  29 - HN    ALA   34   7.55 +/- 0.95   7.388% *  2.4899% (0.78   0.20   0.02) =   0.374%  kept
          HG3   GLU-  29 - HN    ALA   34   9.67 +/- 1.03   3.112% *  1.9071% (0.60   0.20   0.02) =   0.121%  kept
          HB2   GLN   90 - HN    LEU   80  13.35 +/- 3.22   1.675% *  0.2821% (0.87   0.02   0.02) =   0.010%
          HB2   LYS+  38 - HN    ALA   34   8.28 +/- 0.75   5.552% *  0.0780% (0.24   0.02   0.02) =   0.009%
          HB3   GLU-  29 - HN    LEU   80  19.81 +/- 5.29   0.608% *  0.3049% (0.94   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    ALA   34  19.50 +/- 3.55   0.781% *  0.2110% (0.65   0.02   0.02) =   0.003%
          QB    GLU-  36 - HN    LEU   80  22.21 +/- 3.82   0.598% *  0.2740% (0.85   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    LEU   80  19.40 +/- 5.62   0.642% *  0.2335% (0.72   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    ALA   34  26.60 +/- 2.32   0.164% *  0.2332% (0.72   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   80  25.45 +/- 3.54   0.303% *  0.0943% (0.29   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.79, residual support = 21.3:
        T HN    ASN   35 - HN    ALA   34   2.73 +/- 0.07  97.316% * 98.7794% (0.80 10.00   4.79  21.26) =  99.995%  kept
        T HN    ASN   35 - HN    LEU   80  22.00 +/- 4.55   0.360% *  0.8847% (0.72 10.00   0.02   0.02) =   0.003%
          HN    ALA   12 - HN    ALA   34  18.74 +/- 3.80   0.538% *  0.1223% (0.99  1.00   0.02   0.02) =   0.001%
          HN    PHE   97 - HN    LEU   80  15.55 +/- 2.79   0.762% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.26 +/- 5.34   0.128% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  16.79 +/- 2.51   0.504% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  20.78 +/- 1.68   0.241% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.27 +/- 3.24   0.151% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.89, support = 5.43, residual support = 40.4:
          HN    LYS+  81 - HN    LEU   80   3.54 +/- 0.44  79.165% * 95.6887% (0.89   5.44  40.48) =  99.830%  kept
          HE3   TRP   27 - HN    LEU   80  13.07 +/- 4.77   3.548% *  2.8731% (0.20   0.73   5.86) =   0.134%  kept
          HE3   TRP   27 - HN    ALA   34   8.26 +/- 1.06   7.945% *  0.0876% (0.22   0.02   0.02) =   0.009%
          QD    PHE   60 - HN    LEU   80  14.03 +/- 3.26   2.343% *  0.2822% (0.72   0.02   0.02) =   0.009%
          QD    PHE   60 - HN    ALA   34  15.14 +/- 2.48   1.958% *  0.3151% (0.80   0.02   0.02) =   0.008%
          HN    LYS+  66 - HN    ALA   34  16.90 +/- 2.89   2.244% *  0.1214% (0.31   0.02   0.02) =   0.004%
          HN    LYS+  81 - HN    ALA   34  22.15 +/- 5.14   0.605% *  0.3926% (1.00   0.02   0.02) =   0.003%
          HN    LYS+  66 - HN    LEU   80  17.83 +/- 2.80   1.147% *  0.1088% (0.28   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    LEU   80  18.80 +/- 3.35   0.725% *  0.0617% (0.16   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    ALA   34  23.87 +/- 2.64   0.321% *  0.0689% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.729, support = 1.63, residual support = 2.05:
          HA    GLN   30 - HN    ALA   34   4.53 +/- 0.86  37.368% * 40.5135% (0.80   1.84   1.56) =  64.291%  kept
          HB    THR   39 - HN    ALA   34   6.99 +/- 1.69  13.981% * 24.9688% (0.61   1.50   6.44) =  14.824%  kept
          HB3   SER   37 - HN    ALA   34   6.58 +/- 1.31  15.916% * 17.6625% (0.45   1.44   0.51) =  11.938%  kept
          HB3   SER   82 - HN    LEU   80   6.77 +/- 1.01  16.006% * 12.8430% (0.82   0.57   0.37) =   8.730%  kept
          QB    SER   13 - HN    ALA   34  13.73 +/- 3.04   6.237% *  0.3551% (0.65   0.02   0.02) =   0.094%
          HA    GLN   30 - HN    LEU   80  18.21 +/- 4.91   1.269% *  0.3937% (0.72   0.02   0.02) =   0.021%
          HA    ILE   89 - HN    LEU   80  11.93 +/- 1.86   2.253% *  0.2204% (0.40   0.02   0.02) =   0.021%
          HD3   PRO   52 - HN    LEU   80  17.89 +/- 4.64   1.088% *  0.4264% (0.78   0.02   0.02) =   0.020%
          HB3   SER   82 - HN    ALA   34  21.77 +/- 5.76   0.651% *  0.5067% (0.92   0.02   0.02) =   0.014%
          HB2   CYS   53 - HN    LEU   80  16.52 +/- 3.92   1.635% *  0.1845% (0.34   0.02   0.02) =   0.013%
          HB    THR   39 - HN    LEU   80  20.94 +/- 2.97   0.590% *  0.2982% (0.54   0.02   0.02) =   0.007%
          QB    SER   13 - HN    LEU   80  22.10 +/- 4.72   0.498% *  0.3180% (0.58   0.02   0.02) =   0.007%
          HB3   SER   37 - HN    LEU   80  23.55 +/- 3.44   0.516% *  0.2204% (0.40   0.02   0.02) =   0.005%
          HD3   PRO   52 - HN    ALA   34  27.42 +/- 4.14   0.219% *  0.4761% (0.87   0.02   0.02) =   0.004%
          HB2   CYS   53 - HN    ALA   34  24.27 +/- 3.31   0.444% *  0.2060% (0.37   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    ALA   34  22.69 +/- 2.09   0.318% *  0.2461% (0.45   0.02   0.02) =   0.003%
          HB    THR  118 - HN    ALA   34  22.32 +/- 3.98   0.568% *  0.0847% (0.15   0.02   0.02) =   0.002%
          HB    THR  118 - HN    LEU   80  20.65 +/- 2.01   0.443% *  0.0759% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.744, support = 2.69, residual support = 10.1:
          HA    LEU   31 - HN    ALA   34   3.13 +/- 0.26  66.542% * 80.5232% (0.76   2.79  10.52) =  95.550%  kept
          HA    THR   77 - HN    LEU   80   4.94 +/- 1.54  31.298% *  7.7111% (0.34   0.61   0.60) =   4.304%  kept
          HA    LEU   31 - HN    LEU   80  17.86 +/- 4.55   0.679% * 11.4823% (0.68   0.44   0.02) =   0.139%  kept
          HA    THR   77 - HN    ALA   34  19.51 +/- 4.21   1.481% *  0.2833% (0.37   0.02   0.02) =   0.007%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.393, support = 3.29, residual support = 6.1:
          HA    ASP-  78 - HN    LEU   80   4.88 +/- 1.06  49.731% * 87.4266% (0.40   3.39   6.21) =  96.414%  kept
          HA    THR   23 - HN    LEU   80  12.92 +/- 6.52  24.045% *  3.6693% (0.18   0.32   0.65) =   1.957%  kept
          HA    VAL   41 - HN    ALA   34   8.51 +/- 1.52  10.160% *  6.2039% (0.17   0.55   7.69) =   1.398%  kept
          HA    PHE   45 - HN    LEU   80   9.29 +/- 3.12   9.624% *  0.7891% (0.61   0.02   0.02) =   0.168%  kept
          HA    ASP-  78 - HN    ALA   34  22.63 +/- 4.33   2.333% *  0.5750% (0.45   0.02   0.02) =   0.030%
          HA    PHE   45 - HN    ALA   34  18.17 +/- 1.24   0.895% *  0.8810% (0.69   0.02   0.02) =   0.017%
          HA    THR   23 - HN    ALA   34  15.18 +/- 0.66   1.439% *  0.2538% (0.20   0.02   0.02) =   0.008%
          HA    VAL   41 - HN    LEU   80  16.23 +/- 2.23   1.773% *  0.2012% (0.16   0.02   0.02) =   0.008%
    Distance limit 4.10 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.704, support = 4.39, residual support = 18.4:
          QE    LYS+  33 - HN    ALA   34   4.64 +/- 0.78  28.985% * 33.4504% (0.52   5.70  41.78) =  38.139%  kept
          HB2   ASP-  78 - HN    LEU   80   5.44 +/- 1.20  19.903% * 41.6533% (0.88   4.26   6.21) =  32.611%  kept
          HB2   ASP-  76 - HN    LEU   80   4.57 +/- 1.09  31.266% * 23.7311% (0.75   2.85   1.60) =  29.187%  kept
          QE    LYS+  65 - HN    LEU   80  15.47 +/- 4.51   7.233% *  0.0555% (0.25   0.02   0.02) =   0.016%
          HB2   ASN   28 - HN    ALA   34   9.47 +/- 0.60   2.904% *  0.0917% (0.41   0.02   0.02) =   0.010%
          HB2   ASP-  78 - HN    ALA   34  22.35 +/- 3.76   0.932% *  0.2185% (0.98   0.02   0.02) =   0.008%
          HB2   ASP-  76 - HN    ALA   34  18.22 +/- 2.77   0.913% *  0.1862% (0.83   0.02   0.02) =   0.007%
          HB2   ASN   69 - HN    ALA   34  15.11 +/- 2.66   0.961% *  0.1619% (0.72   0.02   0.02) =   0.006%
          QE    LYS+  33 - HN    LEU   80  18.87 +/- 4.18   1.190% *  0.1051% (0.47   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HN    LEU   80   9.42 +/- 0.96   3.232% *  0.0270% (0.12   0.02   0.02) =   0.003%
          HB2   ASN   28 - HN    LEU   80  17.01 +/- 5.67   0.918% *  0.0821% (0.37   0.02   1.20) =   0.003%
          QE    LYS+  65 - HN    ALA   34  17.58 +/- 2.97   0.850% *  0.0620% (0.28   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    LEU   80  23.04 +/- 2.25   0.253% *  0.1450% (0.65   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  19.39 +/- 4.65   0.461% *  0.0302% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.433, support = 5.62, residual support = 48.5:
          HB2   GLU-  79 - HN    LEU   80   2.99 +/- 0.46  80.763% * 85.6701% (0.44   5.70  49.30) =  98.283%  kept
          HG3   GLU-  36 - HN    ALA   34   6.87 +/- 1.05  11.921% *  9.8965% (0.34   0.84   0.36) =   1.676%  kept
          HG3   GLU-  25 - HN    LEU   80  18.11 +/- 6.19   1.386% *  0.6051% (0.88   0.02   0.02) =   0.012%
          HG3   GLU-  25 - HN    ALA   34  15.21 +/- 0.83   0.731% *  0.6756% (0.98   0.02   0.02) =   0.007%
          HG2   PRO   52 - HN    LEU   80  17.30 +/- 4.27   0.796% *  0.5355% (0.78   0.02   0.02) =   0.006%
          HG2   MET   92 - HN    LEU   80  14.21 +/- 3.94   1.368% *  0.2106% (0.30   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HN    ALA   34  19.31 +/- 3.45   0.550% *  0.3355% (0.49   0.02   0.02) =   0.003%
          HG2   PRO   52 - HN    ALA   34  26.22 +/- 3.96   0.249% *  0.5979% (0.87   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    LEU   80  20.35 +/- 3.17   0.536% *  0.2317% (0.34   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    LEU   80  18.84 +/- 1.94   0.456% *  0.2538% (0.37   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    ALA   34  22.08 +/- 3.85   0.346% *  0.2587% (0.37   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  25.49 +/- 4.86   0.421% *  0.2106% (0.30   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  23.19 +/- 2.69   0.267% *  0.2834% (0.41   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  25.77 +/- 3.09   0.211% *  0.2351% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.744, support = 5.4, residual support = 42.9:
          HB3   GLU-  79 - HN    LEU   80   3.29 +/- 0.77  44.458% * 66.7237% (0.78   5.88  49.30) =  86.852%  kept
          QB    GLU-  36 - HN    ALA   34   5.34 +/- 0.59  13.160% * 19.5361% (0.80   1.67   0.36) =   7.527%  kept
          QB    GLN   32 - HN    ALA   34   4.63 +/- 0.22  19.239% *  8.6377% (0.17   3.37   0.70) =   4.865%  kept
          HB    VAL   24 - HN    LEU   80  12.24 +/- 6.72   8.319% *  2.0032% (0.20   0.69   4.26) =   0.488%  kept
          HB3   GLU-  29 - HN    ALA   34   7.55 +/- 0.95   5.077% *  1.4055% (0.49   0.20   0.02) =   0.209%  kept
          HG3   GLU-  29 - HN    ALA   34   9.67 +/- 1.03   2.151% *  0.5057% (0.17   0.20   0.02) =   0.032%
          HG3   GLU- 100 - HN    ALA   34  14.19 +/- 5.59   2.879% *  0.1423% (0.49   0.02   0.02) =   0.012%
          HB3   GLU-  79 - HN    ALA   34  19.50 +/- 3.55   0.568% *  0.2536% (0.87   0.02   0.02) =   0.004%
          HB2   GLN   90 - HN    LEU   80  13.35 +/- 3.22   1.192% *  0.0808% (0.28   0.02   0.02) =   0.003%
          QB    GLU-  36 - HN    LEU   80  22.21 +/- 3.82   0.437% *  0.2096% (0.72   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HN    LEU   80  19.81 +/- 5.29   0.421% *  0.1274% (0.44   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    ALA   34  14.56 +/- 0.42   0.626% *  0.0651% (0.22   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    LEU   80  22.85 +/- 3.86   0.269% *  0.1274% (0.44   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    LEU   80  18.69 +/- 4.93   0.661% *  0.0459% (0.16   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LEU   80  19.40 +/- 5.62   0.429% *  0.0459% (0.16   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  26.60 +/- 2.32   0.114% *  0.0902% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.689, support = 0.171, residual support = 0.329:
          QG1   VAL   75 - HN    LEU   80   6.20 +/- 1.31  73.389% * 70.7699% (0.68   0.18   0.34) =  95.405%  kept
          QG1   VAL   75 - HN    ALA   34  13.28 +/- 2.54  15.341% *  8.8851% (0.76   0.02   0.02) =   2.504%  kept
          QD1   LEU  115 - HN    LEU   80  15.51 +/- 1.53   6.367% *  9.6127% (0.82   0.02   0.02) =   1.124%  kept
          QD1   LEU  115 - HN    ALA   34  19.44 +/- 2.52   4.904% * 10.7323% (0.92   0.02   0.02) =   0.967%  kept
    Distance limit 4.67 A violated in 9 structures by 1.52 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 = 0.321, support = 6.59, residual support = 82.4:
          QD2   LEU   80 - HN    LEU   80   3.83 +/- 0.45  33.374% * 55.6782% (0.40   6.45  85.83) =  61.355%  kept
          QD1   LEU   80 - HN    LEU   80   3.63 +/- 1.06  36.593% * 28.4112% (0.18   7.46  85.83) =  34.328%  kept
          QG2   VAL   41 - HN    ALA   34   7.01 +/- 2.40   9.967% * 12.6479% (0.34   1.72   7.69) =   4.162%  kept
          QD1   LEU   73 - HN    ALA   34   8.16 +/- 1.97   3.895% *  0.3591% (0.83   0.02   0.02) =   0.046%
          QD1   LEU   73 - HN    LEU   80  10.99 +/- 2.70   2.095% *  0.3216% (0.75   0.02   0.02) =   0.022%
          QD2   LEU   63 - HN    ALA   34  13.23 +/- 2.84   1.298% *  0.3856% (0.89   0.02   0.02) =   0.017%
          QD1   LEU   63 - HN    ALA   34  14.09 +/- 2.98   1.168% *  0.3591% (0.83   0.02   0.02) =   0.014%
          QD1   LEU   63 - HN    LEU   80  14.19 +/- 2.52   0.843% *  0.3216% (0.75   0.02   0.02) =   0.009%
          QD2   LEU   63 - HN    LEU   80  14.06 +/- 1.90   0.759% *  0.3453% (0.80   0.02   0.02) =   0.009%
          QD2   LEU   80 - HN    ALA   34  15.57 +/- 6.01   1.167% *  0.1927% (0.45   0.02   0.02) =   0.007%
          QD1   LEU  104 - HN    ALA   34  13.17 +/- 3.82   1.579% *  0.1072% (0.25   0.02   0.02) =   0.006%
          QG2   VAL   41 - HN    LEU   80  13.25 +/- 2.66   1.265% *  0.1313% (0.30   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    LEU   80  12.62 +/- 3.02   1.920% *  0.0762% (0.18   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ALA   34  11.18 +/- 3.23   1.668% *  0.0851% (0.20   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    ALA   34  19.34 +/- 2.77   0.428% *  0.2093% (0.49   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    LEU   80  16.70 +/- 1.52   0.433% *  0.1874% (0.44   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    ALA   34  16.57 +/- 5.80   0.865% *  0.0851% (0.20   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  17.16 +/- 3.16   0.683% *  0.0960% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.07 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 = 0.701, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  20.02 +/- 5.77  17.849% * 31.5414% (1.00   0.02   0.02) =  35.172%  kept
          QD2   LEU  123 - HN    LEU   80  21.60 +/- 3.46  13.300% * 28.2508% (0.89   0.02   0.02) =  23.474%  kept
          HG3   LYS+ 121 - HN    ALA   34  21.46 +/- 6.56  16.829% * 14.1725% (0.45   0.02   0.02) =  14.900%  kept
          HB3   LEU  104 - HN    ALA   34  17.68 +/- 4.08  24.528% *  7.0378% (0.22   0.02   0.02) =  10.785%  kept
          HG3   LYS+ 121 - HN    LEU   80  24.09 +/- 4.91  12.129% * 12.6939% (0.40   0.02   0.02) =   9.619%  kept
          HB3   LEU  104 - HN    LEU   80  21.24 +/- 4.23  15.364% *  6.3036% (0.20   0.02   0.02) =   6.051%  kept
    Distance limit 4.49 A violated in 19 structures by 9.01 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.778, support = 5.48, residual support = 40.6:
          QB    LYS+  33 - HN    ALA   34   3.31 +/- 0.41  53.437% * 46.2521% (0.74   5.93  41.78) =  74.321%  kept
          QB    LYS+  81 - HN    LEU   80   5.10 +/- 0.44  17.617% * 44.2418% (0.94   4.44  40.48) =  23.437%  kept
          HB3   GLN   30 - HN    ALA   34   5.88 +/- 0.64  12.036% *  5.7798% (0.32   1.70   1.56) =   2.092%  kept
          HB3   LYS+  38 - HN    ALA   34   8.69 +/- 0.86   3.763% *  0.8211% (0.47   0.16   0.02) =   0.093%
          HB3   GLN   90 - HN    LEU   80  13.21 +/- 3.26   2.224% *  0.1956% (0.93   0.02   0.02) =   0.013%
          HG2   ARG+  54 - HN    LEU   80  19.49 +/- 4.49   1.608% *  0.1666% (0.79   0.02   0.02) =   0.008%
          HB3   ASP- 105 - HN    LEU   80  19.41 +/- 3.59   1.135% *  0.1731% (0.82   0.02   0.02) =   0.006%
          QB    LYS+ 106 - HN    LEU   80  14.97 +/- 1.86   0.784% *  0.1995% (0.95   0.02   0.02) =   0.005%
          QB    LYS+  33 - HN    LEU   80  18.90 +/- 4.27   0.559% *  0.1887% (0.89   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    LEU   80  18.32 +/- 4.11   0.620% *  0.1598% (0.76   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA   34  16.94 +/- 2.88   0.667% *  0.1261% (0.60   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    LEU   80  15.86 +/- 4.75   0.890% *  0.0820% (0.39   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   34  18.10 +/- 2.17   0.382% *  0.1650% (0.78   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  18.87 +/- 2.75   0.412% *  0.1525% (0.72   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  18.61 +/- 2.91   0.419% *  0.1431% (0.68   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ALA   34  18.12 +/- 3.32   0.444% *  0.1321% (0.63   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    LEU   80  14.32 +/- 3.49   1.035% *  0.0555% (0.26   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   34  21.34 +/- 4.23   0.273% *  0.1646% (0.78   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  22.76 +/- 2.67   0.233% *  0.1525% (0.72   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  22.96 +/- 2.55   0.213% *  0.1261% (0.60   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  26.78 +/- 3.53   0.174% *  0.1378% (0.65   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  25.93 +/- 2.44   0.127% *  0.1617% (0.77   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  24.89 +/- 3.39   0.160% *  0.1210% (0.57   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   80  20.80 +/- 3.58   0.380% *  0.0308% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.84 +/- 2.43   0.153% *  0.0459% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  22.35 +/- 3.89   0.253% *  0.0255% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.246, support = 3.67, residual support = 24.9:
      O   QB    ALA   34 - HN    ALA   34   2.03 +/- 0.08  82.978% * 81.5163% (0.24  10.0   3.69  25.11) =  98.974%  kept
          QG2   THR   77 - HN    LEU   80   6.15 +/- 1.16   3.907% * 17.3640% (0.76   1.0   1.36   0.60) =   0.993%  kept
          QG2   THR   77 - HN    ALA   34  16.67 +/- 3.70   7.624% *  0.2115% (0.63   1.0   0.02   0.02) =   0.024%
          QG2   THR   23 - HN    LEU   80  12.21 +/- 5.14   1.805% *  0.2066% (0.61   1.0   0.02   0.65) =   0.005%
          HG2   LYS+  38 - HN    ALA   34   7.95 +/- 1.05   1.968% *  0.0408% (0.12   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    LEU   80  11.93 +/- 0.96   0.443% *  0.1313% (0.39   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  13.25 +/- 0.88   0.313% *  0.1709% (0.51   1.0   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    LEU   80  16.01 +/- 3.46   0.398% *  0.0986% (0.29   1.0   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    LEU   80  15.46 +/- 2.75   0.280% *  0.0559% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  20.09 +/- 2.58   0.097% *  0.1086% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.50 +/- 2.58   0.116% *  0.0463% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  25.16 +/- 3.67   0.071% *  0.0493% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.433, support = 6.22, residual support = 85.8:
      O   HB2   LEU   80 - HN    LEU   80   3.14 +/- 0.53  50.326% * 49.4110% (0.26  10.0   5.94  85.83) =  65.453%  kept
          HG    LEU   80 - HN    LEU   80   4.38 +/- 0.87  27.246% * 48.0988% (0.76   1.0   6.76  85.83) =  34.494%  kept
          HG    LEU   73 - HN    ALA   34   9.82 +/- 1.97   2.303% *  0.1227% (0.65   1.0   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    ALA   34   9.72 +/- 1.70   2.100% *  0.1009% (0.54   1.0   0.02   0.02) =   0.006%
          QB    ALA   61 - HN    LEU   80  14.00 +/- 2.63   1.021% *  0.1681% (0.89   1.0   0.02   0.02) =   0.005%
          HG    LEU   40 - HN    ALA   34   9.98 +/- 1.82   2.806% *  0.0501% (0.27   1.0   0.02   0.40) =   0.004%
          QB    ALA   61 - HN    ALA   34  14.67 +/- 3.16   0.970% *  0.1390% (0.74   1.0   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ALA   34  14.53 +/- 2.99   0.845% *  0.1466% (0.78   1.0   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    ALA   34  16.73 +/- 3.25   0.851% *  0.1418% (0.75   1.0   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    LEU   80  13.73 +/- 2.95   0.810% *  0.1484% (0.79   1.0   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    LEU   80  17.23 +/- 3.18   0.586% *  0.1715% (0.91   1.0   0.02   0.02) =   0.003%
          HG12  ILE   19 - HN    LEU   80  17.06 +/- 4.80   0.769% *  0.1221% (0.65   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ALA   34  17.72 +/- 4.77   0.662% *  0.1067% (0.57   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ALA   34  19.21 +/- 6.66   0.585% *  0.1177% (0.63   1.0   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    LEU   80  17.23 +/- 2.35   0.386% *  0.1358% (0.72   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   80  18.53 +/- 2.24   0.285% *  0.1773% (0.94   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LEU   80  10.45 +/- 2.17   1.796% *  0.0274% (0.15   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   80  21.84 +/- 4.78   0.332% *  0.1290% (0.69   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   34  14.13 +/- 3.33   1.001% *  0.0366% (0.20   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    ALA   34  21.35 +/- 6.46   1.252% *  0.0257% (0.14   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   34  18.87 +/- 5.60   0.686% *  0.0409% (0.22   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   34  23.34 +/- 2.74   0.165% *  0.1123% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  19.13 +/- 1.64   0.275% *  0.0606% (0.32   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  18.78 +/- 1.92   0.274% *  0.0606% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.25 +/- 1.27   0.671% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  23.72 +/- 4.59   0.486% *  0.0311% (0.17   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  18.68 +/- 2.33   0.317% *  0.0443% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.03 +/- 3.36   0.193% *  0.0501% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.604, support = 1.93, residual support = 9.35:
          HG    LEU   31 - HN    ALA   34   5.73 +/- 0.43  18.101% * 64.6372% (0.51   2.66  10.52) =  62.694%  kept
          QG1   VAL   41 - HN    ALA   34   5.72 +/- 2.00  23.762% * 28.1418% (0.78   0.75   7.69) =  35.833%  kept
          QG1   VAL   43 - HN    LEU   80   9.50 +/- 2.16   6.351% *  0.8397% (0.87   0.02   0.02) =   0.286%  kept
          QG2   THR   46 - HN    LEU   80   9.61 +/- 2.89   7.934% *  0.5517% (0.57   0.02   0.02) =   0.235%  kept
          QD2   LEU   73 - HN    ALA   34   7.96 +/- 1.62   8.386% *  0.3661% (0.38   0.02   0.02) =   0.165%  kept
          QG2   VAL   18 - HN    LEU   80  13.33 +/- 4.58   3.424% *  0.6605% (0.69   0.02   0.02) =   0.121%  kept
          QD2   LEU   73 - HN    LEU   80  11.36 +/- 3.04   4.830% *  0.4428% (0.46   0.02   0.02) =   0.115%  kept
          QG1   VAL   41 - HN    LEU   80  14.65 +/- 2.84   2.260% *  0.9076% (0.94   0.02   0.02) =   0.110%  kept
          QG1   VAL   43 - HN    ALA   34  11.08 +/- 1.90   2.790% *  0.6943% (0.72   0.02   0.02) =   0.104%  kept
          QD1   ILE   19 - HN    ALA   34   7.69 +/- 1.41   8.532% *  0.2091% (0.22   0.02   0.02) =   0.096%
          QG2   VAL   18 - HN    ALA   34  12.09 +/- 1.64   2.645% *  0.5461% (0.57   0.02   0.02) =   0.077%
          HG    LEU   31 - HN    LEU   80  16.14 +/- 5.01   1.574% *  0.5885% (0.61   0.02   0.02) =   0.050%
          QD1   ILE   19 - HN    LEU   80  14.60 +/- 4.16   3.520% *  0.2529% (0.26   0.02   0.02) =   0.048%
          QG2   THR   46 - HN    ALA   34  16.82 +/- 1.93   0.932% *  0.4562% (0.47   0.02   0.02) =   0.023%
          QD1   ILE   56 - HN    LEU   80  15.51 +/- 2.60   1.253% *  0.2268% (0.24   0.02   0.02) =   0.015%
          QD2   LEU  104 - HN    ALA   34  13.15 +/- 3.09   2.034% *  0.1317% (0.14   0.02   0.02) =   0.014%
          QD2   LEU  104 - HN    LEU   80  16.73 +/- 3.23   1.114% *  0.1593% (0.17   0.02   0.02) =   0.010%
          QD1   ILE   56 - HN    ALA   34  19.26 +/- 1.96   0.560% *  0.1875% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.55 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 6.44, residual support = 85.7:
          QD2   LEU   80 - HN    LEU   80   3.83 +/- 0.45  51.052% * 97.1327% (0.85   6.45  85.83) =  99.828%  kept
          QD1   LEU   73 - HN    ALA   34   8.16 +/- 1.97   8.296% *  0.2722% (0.77   0.02   0.02) =   0.045%
          QG1   VAL   83 - HN    LEU   80   5.46 +/- 1.15  21.169% *  0.0837% (0.24   0.02   0.14) =   0.036%
          QD1   LEU   73 - HN    LEU   80  10.99 +/- 2.70   4.117% *  0.3292% (0.93   0.02   0.02) =   0.027%
          QD1   LEU   63 - HN    ALA   34  14.09 +/- 2.98   2.007% *  0.2722% (0.77   0.02   0.02) =   0.011%
          QD1   LEU   63 - HN    LEU   80  14.19 +/- 2.52   1.509% *  0.3292% (0.93   0.02   0.02) =   0.010%
          QD2   LEU   80 - HN    ALA   34  15.57 +/- 6.01   1.783% *  0.2490% (0.70   0.02   0.02) =   0.009%
          QD1   LEU  104 - HN    ALA   34  13.17 +/- 3.82   2.189% *  0.1907% (0.54   0.02   0.02) =   0.008%
          QD1   LEU  104 - HN    LEU   80  17.16 +/- 3.16   1.202% *  0.2307% (0.65   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    ALA   34  13.23 +/- 2.84   2.183% *  0.1245% (0.35   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    LEU   80  16.70 +/- 1.52   0.749% *  0.3100% (0.87   0.02   0.02) =   0.005%
          QD2   LEU   63 - HN    LEU   80  14.06 +/- 1.90   1.178% *  0.1506% (0.42   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    ALA   34  19.34 +/- 2.77   0.563% *  0.2563% (0.72   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    ALA   34  14.65 +/- 4.60   2.001% *  0.0692% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.08 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.457, support = 0.173, residual support = 0.334:
          QG1   VAL   75 - HN    LEU   80   6.20 +/- 1.31  73.389% * 81.7504% (0.46   0.18   0.34) =  97.129%  kept
          QG1   VAL   75 - HN    ALA   34  13.28 +/- 2.54  15.341% *  7.6008% (0.38   0.02   0.02) =   1.888%  kept
          QD1   LEU  115 - HN    LEU   80  15.51 +/- 1.53   6.367% *  5.8292% (0.29   0.02   0.02) =   0.601%  kept
          QD1   LEU  115 - HN    ALA   34  19.44 +/- 2.52   4.904% *  4.8196% (0.24   0.02   0.02) =   0.383%  kept
    Distance limit 4.48 A violated in 9 structures by 1.68 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 = 25.4:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.03  69.519% * 86.4260% (0.63  10.0   3.49  25.11) =  97.511%  kept
          HA    LYS+  81 - HN    LEU   80   4.78 +/- 0.40  14.043% * 10.2258% (0.29   1.0   5.08  40.48) =   2.331%  kept
          HA    GLU-  36 - HN    ALA   34   6.98 +/- 0.11   4.244% *  2.0699% (0.17   1.0   1.72   0.36) =   0.143%  kept
          HA    ASN   28 - HN    ALA   34   7.72 +/- 0.32   3.183% *  0.1021% (0.74   1.0   0.02   0.02) =   0.005%
          HA1   GLY  101 - HN    ALA   34  14.34 +/- 4.94   2.000% *  0.0655% (0.47   1.0   0.02   0.02) =   0.002%
          HA    ALA  124 - HN    ALA   34  24.83 +/- 8.74   1.294% *  0.0784% (0.57   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  15.91 +/- 5.40   0.792% *  0.1235% (0.89   1.0   0.02   1.20) =   0.002%
          HA    ARG+  54 - HN    LEU   80  18.78 +/- 4.14   0.633% *  0.1090% (0.79   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    LEU   80  20.57 +/- 3.99   0.428% *  0.1045% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    LEU   80  29.20 +/- 5.37   0.405% *  0.0948% (0.69   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    ALA   34  10.09 +/- 0.96   1.511% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.01 +/- 1.66   0.197% *  0.1205% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.00 +/- 4.05   0.288% *  0.0792% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.35 +/- 3.40   0.154% *  0.0996% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.17 +/- 3.75   0.166% *  0.0902% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  17.14 +/- 5.58   0.578% *  0.0229% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.37 +/- 1.89   0.122% *  0.0585% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  22.42 +/- 4.20   0.213% *  0.0333% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  27.14 +/- 3.66   0.094% *  0.0484% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  26.08 +/- 4.27   0.136% *  0.0291% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.584, support = 2.66, residual support = 9.93:
          HA    LEU   31 - HN    ALA   34   3.13 +/- 0.26  66.542% * 75.4498% (0.60   2.79  10.52) =  94.085%  kept
          HA    THR   77 - HN    LEU   80   4.94 +/- 1.54  31.298% *  9.7566% (0.36   0.61   0.60) =   5.723%  kept
          HA    LEU   31 - HN    LEU   80  17.86 +/- 4.55   0.679% * 14.5281% (0.72   0.44   0.02) =   0.185%  kept
          HA    THR   77 - HN    ALA   34  19.51 +/- 4.21   1.481% *  0.2655% (0.29   0.02   0.02) =   0.007%
    Distance limit 3.75 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 = 0.705, support = 4.56, residual support = 20.5:
          QE    LYS+  33 - HN    ALA   34   4.64 +/- 0.78  28.985% * 37.4916% (0.60   5.70  41.78) =  43.228%  kept
          HB2   ASP-  78 - HN    LEU   80   5.44 +/- 1.20  19.903% * 43.4000% (0.93   4.26   6.21) =  34.361%  kept
          HB2   ASP-  76 - HN    LEU   80   4.57 +/- 1.09  31.266% * 17.9549% (0.57   2.85   1.60) =  22.332%  kept
          QE    LYS+  65 - HN    LEU   80  15.47 +/- 4.51   7.233% *  0.1013% (0.46   0.02   0.02) =   0.029%
          HB2   ASN   28 - HN    ALA   34   9.47 +/- 0.60   2.904% *  0.1113% (0.51   0.02   0.02) =   0.013%
          QE    LYS+  33 - HN    LEU   80  18.87 +/- 4.18   1.190% *  0.1590% (0.72   0.02   0.02) =   0.008%
          HB2   ASP-  86 - HN    LEU   80   9.42 +/- 0.96   3.232% *  0.0578% (0.26   0.02   0.02) =   0.007%
          HB2   ASP-  78 - HN    ALA   34  22.35 +/- 3.76   0.932% *  0.1686% (0.77   0.02   0.02) =   0.006%
          HB2   ASN   28 - HN    LEU   80  17.01 +/- 5.67   0.918% *  0.1346% (0.61   0.02   1.20) =   0.005%
          HB2   ASP-  76 - HN    ALA   34  18.22 +/- 2.77   0.913% *  0.1043% (0.47   0.02   0.02) =   0.004%
          HB2   ASN   69 - HN    ALA   34  15.11 +/- 2.66   0.961% *  0.0837% (0.38   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    ALA   34  17.58 +/- 2.97   0.850% *  0.0837% (0.38   0.02   0.02) =   0.003%
          HB2   ASN   69 - HN    LEU   80  23.04 +/- 2.25   0.253% *  0.1013% (0.46   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ALA   34  19.39 +/- 4.65   0.461% *  0.0478% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.458, support = 5.64, residual support = 48.7:
          HB2   GLU-  79 - HN    LEU   80   2.99 +/- 0.46  80.763% * 88.4900% (0.46   5.70  49.30) =  98.716%  kept
          HG3   GLU-  36 - HN    ALA   34   6.87 +/- 1.05  11.921% *  7.5701% (0.27   0.84   0.36) =   1.247%  kept
          HG3   GLU-  25 - HN    LEU   80  18.11 +/- 6.19   1.386% *  0.6250% (0.93   0.02   0.02) =   0.012%
          HG2   PRO   52 - HN    LEU   80  17.30 +/- 4.27   0.796% *  0.5531% (0.82   0.02   0.02) =   0.006%
          HG3   GLU-  25 - HN    ALA   34  15.21 +/- 0.83   0.731% *  0.5168% (0.77   0.02   0.02) =   0.005%
          HG2   MET   92 - HN    LEU   80  14.21 +/- 3.94   1.368% *  0.2175% (0.32   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HN    ALA   34  19.31 +/- 3.45   0.550% *  0.2566% (0.38   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    LEU   80  20.35 +/- 3.17   0.536% *  0.2393% (0.36   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    LEU   80  18.84 +/- 1.94   0.456% *  0.2622% (0.39   0.02   0.02) =   0.002%
          HG2   PRO   52 - HN    ALA   34  26.22 +/- 3.96   0.249% *  0.4573% (0.68   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HN    LEU   80  25.49 +/- 4.86   0.421% *  0.2175% (0.32   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  22.08 +/- 3.85   0.346% *  0.1979% (0.29   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  23.19 +/- 2.69   0.267% *  0.2168% (0.32   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  25.77 +/- 3.09   0.211% *  0.1798% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.761, support = 7.18, residual support = 39.8:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.04  39.330% * 88.3942% (0.78  10.0   7.35  41.78) =  95.143%  kept
          HA    GLN   32 - HN    ALA   34   4.28 +/- 0.36  23.491% *  5.7742% (0.22   1.0   4.70   0.70) =   3.712%  kept
          HB2   SER   82 - HN    LEU   80   7.00 +/- 1.09   9.755% *  2.7133% (0.85   1.0   0.57   0.37) =   0.724%  kept
          HA    GLU-  29 - HN    ALA   34   6.64 +/- 0.80   6.795% *  1.5807% (0.75   1.0   0.37   0.02) =   0.294%  kept
          HB2   SER   37 - HN    ALA   34   6.50 +/- 1.08   7.941% *  0.4779% (0.17   1.0   0.49   0.51) =   0.104%  kept
          HA    VAL   70 - HN    ALA   34  10.98 +/- 2.21   3.167% *  0.0767% (0.68   1.0   0.02   0.02) =   0.007%
          HA    SER   48 - HN    LEU   80  12.70 +/- 4.83   2.997% *  0.0562% (0.50   1.0   0.02   0.02) =   0.005%
          HA    VAL   18 - HN    ALA   34  12.45 +/- 1.91   1.181% *  0.0836% (0.74   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LEU   80  16.79 +/- 5.54   0.734% *  0.1011% (0.89   1.0   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    LEU   80  22.46 +/- 4.81   0.482% *  0.1069% (0.95   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  19.46 +/- 5.27   0.403% *  0.1032% (0.91   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    LEU   80  12.53 +/- 1.55   1.033% *  0.0330% (0.29   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  19.63 +/- 1.82   0.263% *  0.0927% (0.82   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  22.00 +/- 6.07   0.301% *  0.0793% (0.70   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   80  22.34 +/- 2.14   0.177% *  0.0927% (0.82   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.93 +/- 4.45   0.312% *  0.0465% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.43 +/- 3.96   0.177% *  0.0767% (0.68   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  17.06 +/- 4.33   0.615% *  0.0165% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  21.28 +/- 5.14   0.322% *  0.0297% (0.26   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  22.92 +/- 3.08   0.233% *  0.0238% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  23.89 +/- 3.14   0.153% *  0.0273% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  26.30 +/- 3.74   0.138% *  0.0136% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.45, support = 0.02, residual support = 0.351:
          HN    GLU-  29 - HN    ALA   34   8.09 +/- 0.62  19.168% * 11.4785% (0.61  1.00   0.02   0.02) =  31.874%  kept
          HN    GLN   30 - HN    ALA   34   6.10 +/- 0.65  44.929% *  3.3143% (0.17  1.00   0.02   1.56) =  21.573%  kept
          HN    VAL   18 - HN    ALA   34  14.06 +/- 2.33   5.606% * 13.7422% (0.72  1.00   0.02   0.02) =  11.160%  kept
          HN    VAL   18 - HN    LEU   80  17.77 +/- 5.58   5.928% * 12.3085% (0.65  1.00   0.02   0.02) =  10.571%  kept
        T HN    ASP-  86 - HN    ALA   34  21.23 +/- 4.44   1.521% * 42.1332% (0.22 10.00   0.02   0.02) =   9.282%  kept
          HN    ASP-  86 - HN    LEU   80   9.10 +/- 0.90  14.959% *  3.7738% (0.20  1.00   0.02   0.02) =   8.178%  kept
          HN    GLU-  29 - HN    LEU   80  17.34 +/- 5.44   3.746% * 10.2810% (0.54  1.00   0.02   0.02) =   5.579%  kept
          HN    GLN   30 - HN    LEU   80  16.83 +/- 5.14   4.144% *  2.9685% (0.16  1.00   0.02   0.02) =   1.782%  kept
    Distance limit 3.82 A violated in 15 structures by 1.97 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.4, support = 0.02, residual support = 0.285:
          HN    GLU-  29 - HN    ALA   34   8.09 +/- 0.62  19.168% * 10.1298% (0.41  1.00   0.02   0.02) =  28.577%  kept
          HN    GLN   30 - HN    ALA   34   6.10 +/- 0.65  44.929% *  2.6057% (0.11  1.00   0.02   1.56) =  17.231%  kept
          HN    VAL   18 - HN    LEU   80  17.77 +/- 5.58   5.928% * 18.6466% (0.76  1.00   0.02   0.02) =  16.270%  kept
          HN    VAL   18 - HN    ALA   34  14.06 +/- 2.33   5.606% * 15.4172% (0.63  1.00   0.02   0.02) =  12.720%  kept
          HN    ASP-  86 - HN    LEU   80   9.10 +/- 0.90  14.959% *  4.0782% (0.17  1.00   0.02   0.02) =   8.979%  kept
        T HN    ASP-  86 - HN    ALA   34  21.23 +/- 4.44   1.521% * 33.7193% (0.14 10.00   0.02   0.02) =   7.546%  kept
          HN    GLU-  29 - HN    LEU   80  17.34 +/- 5.44   3.746% * 12.2517% (0.50  1.00   0.02   0.02) =   6.754%  kept
          HN    GLN   30 - HN    LEU   80  16.83 +/- 5.14   4.144% *  3.1515% (0.13  1.00   0.02   0.02) =   1.922%  kept
    Distance limit 3.80 A violated in 16 structures by 1.99 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.79, residual support = 21.3:
        T HN    ASN   35 - HN    ALA   34   2.73 +/- 0.07  97.316% * 98.3004% (0.54 10.00   4.79  21.26) =  99.994%  kept
        T HN    ASN   35 - HN    LEU   80  22.00 +/- 4.55   0.360% *  1.1889% (0.65 10.00   0.02   0.02) =   0.004%
          HN    ALA   12 - HN    ALA   34  18.74 +/- 3.80   0.538% *  0.1428% (0.78  1.00   0.02   0.02) =   0.001%
          HN    PHE   97 - HN    LEU   80  15.55 +/- 2.79   0.762% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  16.79 +/- 2.51   0.504% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.26 +/- 5.34   0.128% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  20.78 +/- 1.68   0.241% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.27 +/- 3.24   0.151% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.936, support = 5.44, residual support = 40.4:
          HN    LYS+  81 - HN    LEU   80   3.54 +/- 0.44  80.001% * 96.7757% (0.94   5.44  40.48) =  99.877%  kept
          HE3   TRP   27 - HN    LEU   80  13.07 +/- 4.77   3.586% *  2.0272% (0.15   0.73   5.86) =   0.094%
          QD    PHE   60 - HN    LEU   80  14.03 +/- 3.26   2.368% *  0.3218% (0.85   0.02   0.02) =   0.010%
          QD    PHE   60 - HN    ALA   34  15.14 +/- 2.48   1.979% *  0.2661% (0.70   0.02   0.02) =   0.007%
          HE3   TRP   27 - HN    ALA   34   8.26 +/- 1.06   8.029% *  0.0458% (0.12   0.02   0.02) =   0.005%
          HN    LYS+  66 - HN    ALA   34  16.90 +/- 2.89   2.267% *  0.1220% (0.32   0.02   0.02) =   0.004%
          HN    LYS+  81 - HN    ALA   34  22.15 +/- 5.14   0.612% *  0.2940% (0.78   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  17.83 +/- 2.80   1.159% *  0.1475% (0.39   0.02   0.02) =   0.002%
    Distance limit 4.10 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 = 0.507, support = 1.65, residual support = 2.19:
          HG2   LYS+ 111 - HN    GLU- 114   5.20 +/- 1.24  40.670% * 51.4484% (0.73   0.93   1.72) =  61.381%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.37 +/- 0.23  38.027% * 33.8293% (0.15   2.87   3.01) =  37.737%  kept
          HB3   PRO   93 - HN    GLU- 114   9.93 +/- 2.73   9.602% *  1.1689% (0.76   0.02   0.02) =   0.329%  kept
          HG3   LYS+ 106 - HN    GLU- 114  13.74 +/- 1.47   2.306% *  2.6077% (0.22   0.15   0.02) =   0.176%  kept
          HB3   ASP-  44 - HN    GLU- 114  14.79 +/- 2.05   2.047% *  1.5295% (1.00   0.02   0.02) =   0.092%
          HB2   LEU   63 - HN    GLU- 114  15.44 +/- 2.79   1.913% *  1.4993% (0.98   0.02   0.02) =   0.084%
          QB    ALA   84 - HN    GLU- 114  16.16 +/- 2.22   1.685% *  1.2248% (0.80   0.02   0.02) =   0.061%
          QB    ALA  124 - HN    GLU- 114  16.31 +/- 1.06   1.374% *  1.4761% (0.97   0.02   0.02) =   0.059%
          HG    LEU   98 - HN    GLU- 114  19.95 +/- 1.48   0.740% *  1.3717% (0.90   0.02   0.02) =   0.030%
          HB3   LEU   80 - HN    GLU- 114  22.30 +/- 2.89   0.608% *  1.4120% (0.92   0.02   0.02) =   0.025%
          HB2   LEU   31 - HN    GLU- 114  26.27 +/- 3.19   0.350% *  1.2248% (0.80   0.02   0.02) =   0.013%
          HG2   LYS+  99 - HN    GLU- 114  23.69 +/- 2.11   0.436% *  0.6857% (0.45   0.02   0.02) =   0.009%
          HG2   LYS+  38 - HN    GLU- 114  29.99 +/- 3.36   0.243% *  0.5217% (0.34   0.02   0.02) =   0.004%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1094
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     46
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    461
      with multiple volume contributions     :    502
      eliminated by violation filter         :     33
 
    Peaks:
      selected                               :   1094
      without assignment                     :     49
      with assignment                        :   1045
      with unique assignment                 :    569
      with multiple assignment               :    476
      with reference assignment              :    129
      with identical reference assignment    :    110
      with compatible reference assignment   :     19
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    916
 
    Atoms with eliminated volume contribution > 2.5:
    HN    LEU   80       2.9
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.784, support = 3.63, residual support = 47.0:
    * O T HG2   MET   11 - HA    MET   11   3.31 +/- 0.70  39.459% * 70.8328% (1.00  10.0 10.00   4.00  48.29) =  64.505%  kept
      O T HB2   GLU-  14 - HA    GLU-  14   2.79 +/- 0.20  55.402% * 27.7351% (0.39  10.0 10.00   2.96  44.66) =  35.462%  kept
        T HB2   GLU-  14 - HA    MET   11  10.55 +/- 1.12   1.479% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.024%
        T HG2   MET   11 - HA    GLU-  14  11.00 +/- 1.24   1.353% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.009%
          HB2   PRO   68 - HA    GLU-  14  15.17 +/- 4.79   1.485% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  34.79 +/- 5.96   0.059% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  36.54 +/- 6.92   0.059% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.28 +/- 5.23   0.058% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.73 +/- 3.74   0.130% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.10 +/- 3.53   0.070% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  22.28 +/- 3.88   0.149% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.65 +/- 4.82   0.060% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.40 +/- 4.42   0.046% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.95 +/- 2.68   0.080% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  37.27 +/- 4.97   0.034% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  29.54 +/- 3.71   0.075% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 3.67, residual support = 47.1:
    * O T HG3   MET   11 - HA    MET   11   3.07 +/- 0.63  42.664% * 72.0852% (1.00  10.0 10.00   4.00  48.29) =  68.831%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.77 +/- 0.19  51.978% * 26.7596% (0.37  10.0 10.00   2.96  44.66) =  31.129%  kept
        T HB3   GLU-  14 - HA    MET   11  10.41 +/- 1.57   2.205% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.034%
        T HG3   MET   11 - HA    GLU-  14  11.40 +/- 1.28   0.917% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LEU   40 - HA    GLU-  14  15.35 +/- 3.29   0.526% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.22 +/- 4.01   0.213% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.65 +/- 4.28   0.183% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  19.71 +/- 4.15   0.317% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.91 +/- 5.17   0.066% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  13.26 +/- 2.52   0.626% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.79 +/- 5.67   0.071% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.37 +/- 4.27   0.159% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.88 +/- 4.81   0.029% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.81 +/- 3.16   0.047% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.845, support = 3.8, residual support = 46.9:
    * O T HA    MET   11 - HG2   MET   11   3.31 +/- 0.70  29.538% * 79.8444% (1.00  10.0 10.00   4.00  48.29) =  80.797%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.79 +/- 0.20  40.706% * 12.2923% (0.15  10.0 10.00   2.96  44.66) =  17.142%  kept
          HA    ALA   12 - HG2   MET   11   5.33 +/- 0.90   9.519% *  6.1613% (0.53   1.0  1.00   2.93  11.89) =   2.009%  kept
          HA    ALA   12 - HB2   GLU-  14   7.44 +/- 1.15   2.730% *  0.2628% (0.20   1.0  1.00   0.33   0.02) =   0.025%
        T HA    GLU-  14 - HG2   MET   11  11.00 +/- 1.24   0.974% *  0.3283% (0.41   1.0 10.00   0.02   0.02) =   0.011%
        T HA    MET   11 - HB2   GLU-  14  10.55 +/- 1.12   1.046% *  0.2990% (0.37   1.0 10.00   0.02   0.02) =   0.011%
          HA    THR   39 - HG2   MET   11  21.48 +/- 4.76   1.052% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   GLU-  14  13.94 +/- 3.85   1.404% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   ARG+  54   5.52 +/- 0.64   6.225% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLU-  14  22.25 +/- 5.58   0.517% *  0.0276% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.42 +/- 4.26   0.094% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  20.13 +/- 4.85   1.412% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.89 +/- 6.67   0.080% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  31.22 +/- 6.19   0.067% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.24 +/- 3.00   0.148% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  23.89 +/- 5.33   0.132% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.43 +/- 2.21   0.499% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.96 +/- 4.57   0.458% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.79 +/- 5.96   0.044% *  0.0772% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  29.52 +/- 5.64   0.071% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.86 +/- 1.03   2.189% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  37.12 +/- 5.46   0.026% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  29.67 +/- 4.19   0.068% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.12 +/- 5.06   0.125% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  22.96 +/- 4.50   0.104% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  28.10 +/- 3.53   0.051% *  0.0317% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  36.88 +/- 6.43   0.048% *  0.0300% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  35.45 +/- 6.38   0.032% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  30.14 +/- 4.99   0.083% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.53 +/- 3.57   0.112% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  23.70 +/- 3.37   0.086% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  23.09 +/- 3.50   0.104% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  30.55 +/- 4.41   0.040% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  26.19 +/- 4.82   0.101% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.75 +/- 3.10   0.078% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.86 +/- 4.75   0.036% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.857, support = 3.29, residual support = 46.8:
    * O T QB    MET   11 - HG2   MET   11   2.31 +/- 0.13  45.644% * 66.1248% (1.00  10.0 10.00   3.31  48.29) =  81.680%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.35 +/- 0.16  43.396% * 14.0193% (0.21  10.0 10.00   3.29  44.66) =  16.464%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.47 +/- 0.46   3.765% * 17.9811% (0.27   1.0 10.00   2.22   1.51) =   1.832%  kept
        T QG    GLU-  15 - HG2   MET   11  11.98 +/- 2.24   0.636% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  14 - HG2   MET   11  10.70 +/- 1.38   0.623% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.006%
        T QB    MET   11 - HB2   GLU-  14   9.52 +/- 1.33   0.836% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   GLU-  36 - HG2   MET   11  20.65 +/- 5.75   0.339% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HB2   GLU-  14  15.62 +/- 3.68   0.389% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  13.72 +/- 2.48   0.287% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  13.41 +/- 4.88   1.415% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.97 +/- 3.61   0.080% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.85 +/- 4.24   0.058% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.03 +/- 1.28   0.222% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  25.20 +/- 3.09   0.042% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  30.83 +/- 4.71   0.029% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  25.07 +/- 3.57   0.043% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.79 +/- 3.02   0.103% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.00 +/- 2.75   0.391% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.34 +/- 4.78   0.821% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  28.70 +/- 5.69   0.039% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  31.91 +/- 4.65   0.027% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.25 +/- 3.59   0.180% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.89 +/- 4.14   0.017% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.91 +/- 3.47   0.145% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  21.76 +/- 4.48   0.069% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.36 +/- 1.27   0.209% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  36.69 +/- 5.88   0.016% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.25 +/- 3.13   0.035% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  34.40 +/- 4.11   0.016% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  27.10 +/- 3.13   0.034% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  29.65 +/- 4.19   0.027% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  33.02 +/- 4.85   0.020% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.85 +/- 3.66   0.047% *  0.0038% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 47.3:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  48.315% * 72.5786% (1.00  10.0 10.00   4.00  48.29) =  73.838%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  48.316% * 25.7103% (0.35  10.0 10.00   3.00  44.66) =  26.157%  kept
        T HB3   GLU-  14 - HG2   MET   11  11.39 +/- 1.63   0.237% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   MET   11 - HB2   GLU-  14  11.85 +/- 1.50   0.197% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HG2   MET   11  30.81 +/- 5.43   0.014% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  23.65 +/- 4.59   0.036% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  13.49 +/- 5.07   1.926% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.11 +/- 4.25   0.076% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.25 +/- 4.52   0.060% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  15.29 +/- 3.12   0.152% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  28.73 +/- 4.20   0.014% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.26 +/- 2.75   0.191% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  30.52 +/- 5.54   0.015% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  35.55 +/- 5.88   0.010% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  23.53 +/- 3.78   0.054% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  11.98 +/- 1.50   0.199% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  20.57 +/- 3.76   0.042% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  18.68 +/- 2.84   0.078% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  37.22 +/- 4.73   0.007% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  23.11 +/- 4.86   0.050% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  30.12 +/- 3.20   0.011% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.866, support = 3.83, residual support = 47.1:
    * O T HA    MET   11 - HG3   MET   11   3.07 +/- 0.63  36.929% * 80.7090% (1.00  10.0 10.00   4.00  48.29) =  83.601%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.77 +/- 0.19  44.377% * 11.7800% (0.15  10.0 10.00   2.96  44.66) =  14.663%  kept
          HA    ALA   12 - HG3   MET   11   5.57 +/- 1.02   9.789% *  6.2268% (0.53   1.0  1.00   2.93  11.89) =   1.710%  kept
        T HA    MET   11 - HB3   GLU-  14  10.41 +/- 1.57   1.883% *  0.2865% (0.36   1.0 10.00   0.02   0.02) =   0.015%
        T HA    GLU-  14 - HG3   MET   11  11.40 +/- 1.28   0.772% *  0.3318% (0.41   1.0 10.00   0.02   0.02) =   0.007%
          HA    ALA   12 - HB3   GLU-  14   7.40 +/- 1.19   2.829% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HG3   MET   11  21.78 +/- 4.77   0.685% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB3   GLU-  14  14.20 +/- 3.84   1.064% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  22.25 +/- 5.36   0.361% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  28.84 +/- 4.65   0.095% *  0.0805% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  31.60 +/- 6.39   0.067% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  31.26 +/- 6.39   0.063% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  20.30 +/- 3.21   0.161% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  23.94 +/- 5.30   0.143% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  29.80 +/- 5.72   0.072% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  27.91 +/- 5.29   0.162% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  29.53 +/- 4.46   0.078% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  37.46 +/- 5.69   0.025% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  22.91 +/- 4.58   0.113% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  37.29 +/- 6.70   0.044% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  35.79 +/- 6.56   0.031% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  30.61 +/- 5.30   0.074% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  23.23 +/- 3.98   0.134% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  30.60 +/- 4.69   0.047% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.838, support = 3.28, residual support = 46.5:
    * O T QB    MET   11 - HG3   MET   11   2.47 +/- 0.12  42.730% * 67.3911% (1.00  10.0 10.00   3.31  48.29) =  79.598%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.37 +/- 0.16  47.773% * 13.5457% (0.20  10.0 10.00   3.29  44.66) =  17.888%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.60 +/- 0.98   5.179% * 17.3737% (0.26   1.0 10.00   2.11   1.51) =   2.487%  kept
        T QB    MET   11 - HB3   GLU-  14   9.40 +/- 1.76   1.366% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLU-  15 - HG3   MET   11  12.36 +/- 2.48   0.588% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  14 - HG3   MET   11  11.05 +/- 1.46   0.617% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   GLU-  36 - HG3   MET   11  20.78 +/- 5.62   0.264% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HB3   GLU-  14  15.59 +/- 3.58   0.341% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HG3   MET   11  27.27 +/- 4.68   0.117% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  13.85 +/- 2.57   0.340% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  22.40 +/- 3.86   0.120% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  18.88 +/- 3.30   0.133% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  29.00 +/- 5.81   0.075% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  34.24 +/- 4.44   0.024% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  37.15 +/- 6.23   0.024% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.70 +/- 4.59   0.087% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  27.15 +/- 3.54   0.044% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  34.82 +/- 4.22   0.019% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  29.67 +/- 4.62   0.035% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  33.51 +/- 5.10   0.028% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  27.11 +/- 3.50   0.039% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  24.99 +/- 4.29   0.059% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 47.3:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.607% * 71.8618% (1.00  10.0 10.00   4.00  48.29) =  73.838%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.608% * 25.4564% (0.35  10.0 10.00   3.00  44.66) =  26.157%  kept
        T HB2   GLU-  14 - HG3   MET   11  11.85 +/- 1.50   0.202% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   MET   11 - HB3   GLU-  14  11.39 +/- 1.63   0.243% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG3   MET   11  37.34 +/- 7.05   0.013% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  32.88 +/- 5.41   0.011% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  35.55 +/- 5.88   0.010% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  16.09 +/- 4.54   0.163% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  25.17 +/- 4.62   0.029% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  28.73 +/- 4.20   0.014% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  22.86 +/- 4.19   0.030% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  30.11 +/- 5.53   0.016% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  34.25 +/- 4.68   0.009% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  26.27 +/- 3.23   0.018% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  29.42 +/- 4.31   0.018% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  38.21 +/- 5.44   0.006% *  0.0097% (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 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 = 0.878, support = 3.35, residual support = 47.0:
    * O T HA    MET   11 - QB    MET   11   2.39 +/- 0.15  35.054% * 74.9820% (1.00  10.0 10.00   3.36  48.29) =  85.458%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.39 +/- 0.51  38.328% * 10.0037% (0.13  10.0 10.00   3.45  44.66) =  12.466%  kept
          HA    ALA   12 - QB    MET   11   4.03 +/- 0.24   7.330% *  4.5718% (0.53   1.0  1.00   2.32  11.89) =   1.090%  kept
        T HA    GLU-  14 - QG    GLU-  15   5.25 +/- 0.68   3.986% *  7.4316% (0.10   1.0 10.00   2.49   1.51) =   0.963%  kept
        T HA    GLU-  14 - QB    MET   11   9.18 +/- 0.94   0.671% *  0.3083% (0.41   1.0 10.00   0.02   0.02) =   0.007%
        T HA    MET   11 - QG    GLU-  14  10.01 +/- 1.26   0.585% *  0.2433% (0.32   1.0 10.00   0.02   0.02) =   0.005%
        T HA    MET   11 - QG    GLU-  15  11.31 +/- 2.42   0.617% *  0.1808% (0.24   1.0 10.00   0.02   0.02) =   0.004%
          HA    THR   39 - QG    GLU-  15  11.14 +/- 4.58   5.056% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QB    MET   11  24.72 +/- 3.45   0.045% *  0.7482% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  17.66 +/- 2.75   0.106% *  0.2428% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  17.95 +/- 3.42   0.122% *  0.1804% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - QB    MET   11  25.73 +/- 4.77   0.044% *  0.4245% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  14   7.32 +/- 0.76   1.350% *  0.0128% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - QB    MET   11  18.38 +/- 4.25   0.408% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   8.87 +/- 1.82   1.368% *  0.0095% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  12.67 +/- 3.18   0.952% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.82 +/- 5.84   0.089% *  0.0692% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  19.45 +/- 4.93   0.208% *  0.0225% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  26.66 +/- 5.59   0.461% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  19.64 +/- 5.95   0.349% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  25.94 +/- 4.27   0.060% *  0.0529% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  18.39 +/- 5.12   0.624% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  27.28 +/- 5.32   0.039% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.41 +/- 1.57   0.523% *  0.0045% (0.06   1.0  1.00   0.02   0.96) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.30 +/- 4.07   0.140% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  20.77 +/- 4.40   0.097% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  21.64 +/- 4.83   0.111% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  32.34 +/- 4.66   0.019% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  16.14 +/- 3.36   0.293% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  19.87 +/- 3.66   0.078% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  25.79 +/- 3.69   0.042% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  24.39 +/- 4.41   0.080% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  30.83 +/- 5.55   0.025% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.32 +/- 4.83   0.082% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  20.03 +/- 4.29   0.094% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.54 +/- 4.53   0.045% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  25.00 +/- 5.43   0.090% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  32.32 +/- 5.52   0.025% *  0.0281% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  21.73 +/- 1.56   0.048% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  26.47 +/- 3.88   0.036% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  26.72 +/- 4.02   0.034% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  20.21 +/- 3.30   0.079% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  27.05 +/- 3.71   0.034% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  28.94 +/- 3.84   0.024% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  20.28 +/- 2.47   0.068% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  26.49 +/- 4.83   0.033% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  33.16 +/- 4.42   0.019% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  26.61 +/- 3.27   0.030% *  0.0014% (0.02   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 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 = 0.832, support = 3.29, residual support = 46.7:
    * O T HG2   MET   11 - QB    MET   11   2.31 +/- 0.13  46.253% * 62.8007% (1.00  10.0 10.00   3.31  48.29) =  75.302%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.35 +/- 0.16  43.974% * 20.3350% (0.32  10.0 10.00   3.29  44.66) =  23.182%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.47 +/- 0.46   3.815% * 15.1066% (0.24   1.0 10.00   2.22   1.51) =   1.494%  kept
        T HB2   GLU-  14 - QB    MET   11   9.52 +/- 1.33   0.847% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.014%
        T HG2   MET   11 - QG    GLU-  14  10.70 +/- 1.38   0.631% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   MET   11 - QG    GLU-  15  11.98 +/- 2.24   0.644% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU-  14 - HG3   GLU-  36  15.62 +/- 3.68   0.395% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HG3   GLU-  36  20.65 +/- 5.75   0.344% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - QG    GLU-  15  13.28 +/- 6.05   1.272% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  13.80 +/- 4.37   0.670% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  30.83 +/- 4.71   0.030% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  28.32 +/- 4.13   0.030% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  21.95 +/- 3.99   0.098% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  28.57 +/- 3.89   0.031% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  32.36 +/- 5.79   0.030% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  19.66 +/- 3.69   0.099% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  32.34 +/- 4.35   0.021% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  25.07 +/- 3.57   0.044% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  25.20 +/- 3.09   0.043% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  26.28 +/- 4.69   0.052% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  21.98 +/- 2.60   0.065% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  26.65 +/- 4.69   0.048% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  29.56 +/- 3.36   0.025% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  19.28 +/- 4.68   0.242% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  22.90 +/- 2.47   0.052% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  31.91 +/- 4.65   0.027% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  23.23 +/- 3.19   0.053% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  33.05 +/- 4.37   0.019% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  25.79 +/- 3.60   0.049% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  27.76 +/- 3.04   0.030% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  25.94 +/- 3.13   0.039% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  29.09 +/- 3.29   0.027% *  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 = 0.81, support = 3.28, residual support = 46.4:
    * O T HG3   MET   11 - QB    MET   11   2.47 +/- 0.12  39.704% * 64.2177% (1.00  10.0 10.00   3.31  48.29) =  72.883%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.37 +/- 0.16  44.480% * 19.7139% (0.31  10.0 10.00   3.29  44.66) =  25.065%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.60 +/- 0.98   4.829% * 14.6452% (0.23   1.0 10.00   2.11   1.51) =   2.022%  kept
        T HB3   GLU-  14 - QB    MET   11   9.40 +/- 1.76   1.273% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.022%
        T HG3   MET   11 - QG    GLU-  14  11.05 +/- 1.46   0.575% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   MET   11 - QG    GLU-  15  12.36 +/- 2.48   0.548% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   GLU-  14 - HG3   GLU-  36  15.59 +/- 3.58   0.312% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG    GLU-  15  12.38 +/- 4.08   4.357% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HG3   GLU-  36  20.78 +/- 5.62   0.246% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QB    MET   11  20.04 +/- 3.95   0.165% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  11.61 +/- 3.02   0.704% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  13.67 +/- 2.67   0.372% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.51 +/- 4.62   0.053% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.29 +/- 3.51   0.159% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.35 +/- 2.95   0.038% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  26.75 +/- 3.68   0.039% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  17.51 +/- 3.35   0.148% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.95 +/- 2.59   0.576% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.46 +/- 3.84   0.131% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  20.77 +/- 4.34   0.140% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  13.39 +/- 2.36   0.471% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.26 +/- 4.21   0.040% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.86 +/- 3.20   0.088% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.83 +/- 1.26   0.402% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.62 +/- 3.85   0.024% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  21.67 +/- 2.85   0.067% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  27.37 +/- 4.50   0.038% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  31.38 +/- 2.73   0.021% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.5:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  98.323% * 99.1918% (0.82  10.0 10.00   2.00  12.48) =  99.999%  kept
          HG3   LYS+  33 - HA    ALA   12  16.66 +/- 3.72   0.392% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  21.15 +/- 4.17   0.175% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  19.39 +/- 3.73   0.187% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  23.10 +/- 5.02   0.180% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  21.81 +/- 3.68   0.136% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  20.02 +/- 3.73   0.235% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  29.93 +/- 7.43   0.124% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.83 +/- 4.93   0.053% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  31.21 +/- 5.91   0.071% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  34.56 +/- 3.68   0.026% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  27.75 +/- 5.72   0.063% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  31.28 +/- 3.47   0.035% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.816, support = 2.0, residual support = 12.5:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  82.399% * 94.5609% (0.82  10.0 10.00   2.00  12.48) =  99.268%  kept
          HA    MET   11 - QB    ALA   12   3.92 +/- 0.20  13.507% *  3.9260% (0.24   1.0  1.00   2.89  11.89) =   0.676%  kept
          HA    GLU-  14 - QB    ALA   12   6.35 +/- 0.75   3.620% *  1.2226% (0.89   1.0  1.00   0.24   0.02) =   0.056%
          HA    LEU  104 - QB    ALA   12  24.98 +/- 5.03   0.104% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  27.96 +/- 4.70   0.058% *  0.0978% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.67 +/- 3.39   0.113% *  0.0243% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  24.18 +/- 5.16   0.094% *  0.0191% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  27.48 +/- 4.59   0.063% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  29.28 +/- 4.05   0.042% *  0.0191% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.40 +/- 0.16  48.775% * 63.6140% (1.00  10.0 10.00   1.93   6.19) =  72.014%  kept
      O T HB3   SER   37 - HA    SER   37   2.67 +/- 0.24  37.168% * 32.1557% (0.51  10.0 10.00   2.57  29.72) =  27.739%  kept
          HB    THR   39 - HA    SER   37   5.73 +/- 0.74   4.384% *  2.0240% (0.53   1.0  1.00   1.19   4.04) =   0.206%  kept
        T HB3   SER   37 - HA    SER   13  14.51 +/- 4.33   1.919% *  0.6018% (0.95   1.0 10.00   0.02   0.02) =   0.027%
        T QB    SER   13 - HA    SER   37  13.57 +/- 3.77   1.033% *  0.3399% (0.53   1.0 10.00   0.02   0.02) =   0.008%
          HA    ILE   89 - HA    THR   46   9.64 +/- 2.33   2.102% *  0.0364% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   39 - HA    SER   13  15.05 +/- 4.19   1.068% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QB    SER   13 - HA    THR   46  23.54 +/- 3.61   0.073% *  0.3850% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    THR   46   9.01 +/- 1.63   1.490% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.99 +/- 1.98   0.051% *  0.3642% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  13.84 +/- 1.77   0.329% *  0.0234% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.46 +/- 2.86   0.364% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.16 +/- 2.12   0.184% *  0.0334% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  11.08 +/- 1.72   0.617% *  0.0095% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  20.94 +/- 2.27   0.081% *  0.0384% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  28.97 +/- 5.41   0.034% *  0.0552% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.64 +/- 4.21   0.029% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  28.84 +/- 3.82   0.035% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  27.36 +/- 4.13   0.039% *  0.0295% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.34 +/- 2.16   0.036% *  0.0322% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  25.87 +/- 3.80   0.050% *  0.0206% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  20.35 +/- 1.85   0.084% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  31.75 +/- 5.08   0.027% *  0.0217% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  31.60 +/- 4.48   0.027% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.864, support = 2.12, residual support = 12.9:
    * O T HA    SER   13 - QB    SER   13   2.40 +/- 0.16  45.595% * 63.8850% (1.00  10.0 10.00   1.93   6.19) =  71.205%  kept
      O T HA    SER   37 - HB3   SER   37   2.67 +/- 0.24  34.783% * 33.8056% (0.53  10.0 10.00   2.57  29.72) =  28.744%  kept
        T HA    SER   13 - HB3   SER   37  14.51 +/- 4.33   1.797% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.026%
        T HA    SER   37 - QB    SER   13  13.57 +/- 3.77   0.966% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          HA    GLU-  15 - QB    SER   13   6.58 +/- 1.02   3.056% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU   40 - QB    SER   13  15.50 +/- 3.98   2.114% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - HB3   SER   37   8.40 +/- 1.18   1.704% *  0.0565% (0.88   1.0  1.00   0.02   0.58) =   0.002%
          HA    GLU-  15 - HB3   SER   37  11.97 +/- 4.28   1.117% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QB    SER   13   8.95 +/- 1.34   1.094% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB3   SER   37   6.69 +/- 0.59   2.303% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  23.54 +/- 3.61   0.068% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB3   SER   37  13.90 +/- 6.31   2.803% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   SER   37  14.59 +/- 4.18   0.640% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  23.99 +/- 1.98   0.048% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.20 +/- 6.49   0.992% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  21.11 +/- 3.71   0.099% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  15.56 +/- 3.55   0.429% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.83 +/- 3.41   0.071% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  24.03 +/- 7.13   0.153% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  24.13 +/- 5.85   0.078% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  24.67 +/- 3.09   0.049% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.08 +/- 2.64   0.040% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 33 (3.86, 3.86, 64.22 ppm):
    2 diagonal assignments:
    *     QB    SER   13 - QB    SER   13  (1.00)  kept
          HB3   SER   37 - HB3   SER   37  (0.88)  kept
 
    Peak 34 (4.31, 4.31, 56.62 ppm):
    2 diagonal assignments:
    *     HA    GLU-  14 - HA    GLU-  14  (1.00)  kept
          HA    MET   11 - HA    MET   11  (0.16)  kept
 
    Peak 35 (2.08, 4.31, 56.62 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 3.18, residual support = 45.4:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.79 +/- 0.20  54.782% * 70.8449% (1.00  10.0 10.00   2.96  44.66) =  78.171%  kept
      O T HG2   MET   11 - HA    MET   11   3.31 +/- 0.70  39.018% * 27.7398% (0.39  10.0 10.00   4.00  48.29) =  21.801%  kept
        T HG2   MET   11 - HA    GLU-  14  11.00 +/- 1.24   1.338% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.019%
        T HB2   GLU-  14 - HA    MET   11  10.55 +/- 1.12   1.462% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.008%
          HB2   PRO   68 - HA    GLU-  14  15.17 +/- 4.79   1.469% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    GLU-  14  24.73 +/- 3.74   0.129% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  14.86 +/- 3.58   0.713% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  28.10 +/- 3.53   0.069% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.65 +/- 4.82   0.060% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  34.79 +/- 5.96   0.059% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  18.82 +/- 5.20   0.514% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.95 +/- 2.68   0.079% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  36.54 +/- 6.92   0.058% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  32.28 +/- 5.23   0.057% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  22.28 +/- 3.88   0.148% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.40 +/- 4.42   0.045% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.875, support = 3.36, residual support = 41.9:
    * O T QG    GLU-  14 - HA    GLU-  14   2.39 +/- 0.51  47.191% * 45.0668% (1.00  10.0 10.00   3.45  44.66) =  76.537%  kept
      O T QB    MET   11 - HA    MET   11   2.39 +/- 0.15  43.614% * 10.0127% (0.22  10.0 10.00   3.36  48.29) =  15.716%  kept
        T QG    GLU-  15 - HA    GLU-  14   5.25 +/- 0.68   4.937% * 43.4925% (0.97   1.0 10.00   2.49   1.51) =   7.728%  kept
        T QB    MET   11 - HA    GLU-  14   9.18 +/- 0.94   0.834% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  15 - HA    MET   11  11.31 +/- 2.42   0.760% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.005%
        T QG    GLU-  14 - HA    MET   11  10.01 +/- 1.26   0.727% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   ASP-  44 - HA    GLU-  14  18.59 +/- 3.20   0.112% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HA    GLU-  14  14.92 +/- 4.55   0.928% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  13.53 +/- 2.40   0.289% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  26.37 +/- 4.21   0.051% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  19.75 +/- 5.57   0.312% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  27.13 +/- 3.13   0.034% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  21.44 +/- 3.59   0.081% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  24.71 +/- 3.57   0.045% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  33.39 +/- 4.21   0.019% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  29.80 +/- 3.90   0.028% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  32.80 +/- 4.67   0.019% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  36.84 +/- 5.66   0.017% *  0.0039% (0.09   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 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.908, support = 3.06, residual support = 44.6:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.79 +/- 0.20  46.378% * 80.7090% (1.00  10.0 10.00   2.96  44.66) =  88.877%  kept
      O T HA    MET   11 - HG2   MET   11   3.31 +/- 0.70  33.502% * 12.4254% (0.15  10.0 10.00   4.00  48.29) =   9.884%  kept
          HA    ALA   12 - HG2   MET   11   5.33 +/- 0.90  10.873% *  4.3451% (0.37   1.0  1.00   2.93  11.89) =   1.122%  kept
          HA    ALA   12 - HB2   GLU-  14   7.44 +/- 1.15   3.104% *  1.3214% (0.98   1.0  1.00   0.33   0.02) =   0.097%
        T HA    MET   11 - HB2   GLU-  14  10.55 +/- 1.12   1.192% *  0.3318% (0.41   1.0 10.00   0.02   0.02) =   0.009%
        T HA    GLU-  14 - HG2   MET   11  11.00 +/- 1.24   1.113% *  0.3022% (0.37   1.0 10.00   0.02   0.02) =   0.008%
          HA    LEU  104 - HB2   GLU-  14  23.88 +/- 5.37   0.233% *  0.0646% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.12 +/- 5.06   0.145% *  0.0800% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  22.25 +/- 5.58   0.602% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  28.10 +/- 3.53   0.058% *  0.1187% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.24 +/- 3.00   0.170% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  23.89 +/- 5.33   0.151% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.43 +/- 2.21   0.569% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.79 +/- 5.96   0.050% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  27.20 +/- 4.80   0.211% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  32.33 +/- 6.88   0.083% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  29.67 +/- 4.19   0.079% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.96 +/- 4.57   0.522% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.42 +/- 4.26   0.107% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  35.45 +/- 6.38   0.037% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.75 +/- 3.10   0.089% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  24.28 +/- 4.01   0.102% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  31.22 +/- 6.19   0.077% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.89 +/- 6.67   0.092% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.86 +/- 4.75   0.042% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.53 +/- 3.57   0.128% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  37.12 +/- 5.46   0.030% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  23.70 +/- 3.37   0.098% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  22.51 +/- 2.97   0.125% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  35.03 +/- 6.14   0.041% *  0.0041% (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 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 = 0.863, support = 3.22, residual support = 42.5:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.35 +/- 0.16  43.065% * 45.4322% (1.00  10.0 10.00   3.29  44.66) =  76.510%  kept
      O T QB    MET   11 - HG2   MET   11   2.31 +/- 0.13  45.293% *  9.6322% (0.21  10.0 10.00   3.31  48.29) =  17.060%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.47 +/- 0.46   3.738% * 43.8452% (0.97   1.0 10.00   2.22   1.51) =   6.410%  kept
        T QB    MET   11 - HB2   GLU-  14   9.52 +/- 1.33   0.829% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  14 - HG2   MET   11  10.70 +/- 1.38   0.618% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.004%
        T QG    GLU-  15 - HG2   MET   11  11.98 +/- 2.24   0.625% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLU-  29 - HB2   GLU-  14  14.79 +/- 4.65   2.596% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  13.72 +/- 2.48   0.285% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE  119 - HB2   ARG+  54  14.03 +/- 1.28   0.220% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.79 +/- 3.02   0.102% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  25.07 +/- 3.57   0.043% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  25.20 +/- 3.09   0.042% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.00 +/- 2.75   0.385% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  13.29 +/- 5.18   1.216% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.25 +/- 3.13   0.035% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.85 +/- 3.66   0.047% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.97 +/- 3.61   0.079% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.25 +/- 3.59   0.179% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  30.83 +/- 4.71   0.029% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.85 +/- 4.24   0.057% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.91 +/- 3.47   0.143% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  20.68 +/- 5.23   0.137% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  27.03 +/- 5.01   0.158% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.89 +/- 4.14   0.017% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  30.12 +/- 3.74   0.024% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  33.02 +/- 4.85   0.020% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  37.16 +/- 5.66   0.016% *  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 = 0.9, support = 3.36, residual support = 41.6:
    * O T HA    GLU-  14 - QG    GLU-  14   2.39 +/- 0.51  41.911% * 48.1390% (1.00  10.0 10.00   3.45  44.66) =  81.830%  kept
      O T HA    MET   11 - QB    MET   11   2.39 +/- 0.15  38.591% *  6.4225% (0.13  10.0 10.00   3.36  48.29) =  10.053%  kept
        T HA    GLU-  14 - QG    GLU-  15   5.25 +/- 0.68   4.372% * 42.3550% (0.88   1.0 10.00   2.49   1.51) =   7.510%  kept
          HA    ALA   12 - QB    MET   11   4.03 +/- 0.24   8.122% *  1.7746% (0.32   1.0  1.00   2.32  11.89) =   0.585%  kept
        T HA    MET   11 - QG    GLU-  14  10.01 +/- 1.26   0.643% *  0.1979% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T HA    MET   11 - QG    GLU-  15  11.31 +/- 2.42   0.675% *  0.1741% (0.36   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU-  14 - QB    MET   11   9.18 +/- 0.94   0.737% *  0.1562% (0.32   1.0 10.00   0.02   0.02) =   0.005%
          HA    ALA   12 - QG    GLU-  14   7.32 +/- 0.76   1.485% *  0.0472% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   12 - QG    GLU-  15   8.87 +/- 1.82   1.497% *  0.0415% (0.86   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ASP-  44 - QG    GLU-  15  17.95 +/- 3.42   0.136% *  0.1590% (0.33   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  17.66 +/- 2.75   0.116% *  0.1807% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  104 - QG    GLU-  14  20.93 +/- 4.83   0.140% *  0.0385% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  24.39 +/- 4.41   0.087% *  0.0477% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  25.00 +/- 5.43   0.099% *  0.0420% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  20.54 +/- 3.74   0.098% *  0.0339% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  24.72 +/- 3.45   0.049% *  0.0586% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  19.45 +/- 4.93   0.228% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  21.64 +/- 4.83   0.130% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  20.77 +/- 4.40   0.108% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  19.30 +/- 4.07   0.157% *  0.0094% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.17 +/- 6.01   0.100% *  0.0125% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  23.63 +/- 4.35   0.113% *  0.0065% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  25.79 +/- 3.69   0.046% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.54 +/- 4.53   0.049% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  24.02 +/- 4.52   0.090% *  0.0057% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  30.83 +/- 5.55   0.028% *  0.0155% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.82 +/- 5.84   0.097% *  0.0035% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  27.28 +/- 5.32   0.044% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  32.34 +/- 4.66   0.021% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  30.47 +/- 5.27   0.033% *  0.0021% (0.04   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 44 (2.27, 2.27, 36.31 ppm):
    3 diagonal assignments:
    *     QG    GLU-  14 - QG    GLU-  14  (1.00)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 45 (1.92, 2.27, 36.31 ppm):
    18 chemical-shift based assignments, quality = 0.853, support = 3.21, residual support = 42.4:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.37 +/- 0.16  45.849% * 45.1588% (1.00  10.0 10.00   3.29  44.66) =  72.998%  kept
      O T HG3   MET   11 - QB    MET   11   2.47 +/- 0.12  40.925% * 13.8631% (0.31  10.0 10.00   3.31  48.29) =  20.003%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.60 +/- 0.98   4.977% * 39.7329% (0.88   1.0 10.00   2.11   1.51) =   6.972%  kept
        T HG3   MET   11 - QG    GLU-  14  11.05 +/- 1.46   0.593% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   MET   11 - QG    GLU-  15  12.36 +/- 2.48   0.565% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   GLU-  14 - QB    MET   11   9.40 +/- 1.76   1.312% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.007%
          HB2   LEU   40 - QG    GLU-  15  12.38 +/- 4.08   4.490% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   40 - QG    GLU-  14  13.67 +/- 2.67   0.384% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.29 +/- 3.51   0.164% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.46 +/- 3.84   0.135% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.35 +/- 2.95   0.040% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  26.75 +/- 3.68   0.040% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  20.77 +/- 4.34   0.144% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.04 +/- 3.95   0.170% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  20.86 +/- 3.20   0.090% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.51 +/- 4.62   0.055% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.26 +/- 4.21   0.041% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.62 +/- 3.85   0.024% *  0.0023% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.993, support = 2.07, residual support = 8.37:
    * O T QG    GLU-  15 - HA    GLU-  15   2.52 +/- 0.56  63.237% * 49.8424% (1.00  10.0 10.00   1.96   9.79) =  82.931%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.88 +/- 0.77  13.442% * 48.1014% (0.97   1.0 10.00   2.63   1.51) =  17.013%  kept
        T QG    GLU-  15 - HA    LEU   40  12.74 +/- 3.58   1.361% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.014%
        T QG    GLU-  14 - HA    LEU   40  13.80 +/- 2.78   1.008% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.010%
        T QB    MET   11 - HA    GLU-  15  11.27 +/- 1.58   1.048% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.010%
          HB3   PHE   72 - HA    LEU   40   7.43 +/- 1.92   6.034% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.006%
        T QB    MET   11 - HA    LEU   40  20.27 +/- 4.15   0.750% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.006%
        T QG    GLU-  15 - HA    ASN   35  13.56 +/- 2.68   0.760% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HA    ASN   35  14.71 +/- 2.57   0.680% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    GLU-  15  11.69 +/- 3.16   1.147% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASN   35  19.24 +/- 4.42   0.660% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU-  15  14.13 +/- 4.49   4.385% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    LEU   40  12.60 +/- 1.18   0.710% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    GLU-  15  17.21 +/- 3.38   0.356% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  20.27 +/- 2.10   0.271% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  12.72 +/- 2.39   0.964% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  18.05 +/- 3.85   0.317% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  26.06 +/- 3.24   0.125% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  23.15 +/- 3.12   0.192% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  23.23 +/- 3.69   0.729% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.11 +/- 1.50   0.413% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.39 +/- 1.48   0.222% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.54 +/- 0.60   0.718% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  24.82 +/- 2.74   0.126% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  28.56 +/- 4.14   0.104% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  24.03 +/- 3.99   0.122% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.99 +/- 3.53   0.120% *  0.0013% (0.03   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 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 3.01, residual support = 9.28:
    * O T QB    GLU-  15 - HA    GLU-  15   2.42 +/- 0.15  63.214% * 70.3949% (1.00  10.0 10.00   3.14   9.79) =  94.771%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.20 +/- 0.95   9.075% * 26.7619% (1.00   1.0 10.00   0.76   0.02) =   5.172%  kept
        T HB3   PRO   68 - HA    GLU-  15  13.81 +/- 5.89   1.403% *  0.5637% (0.80   1.0 10.00   0.02   0.02) =   0.017%
        T HB2   GLN   17 - HA    LEU   40  14.49 +/- 3.50   1.197% *  0.5693% (0.81   1.0 10.00   0.02   0.02) =   0.015%
        T QB    GLU-  15 - HA    LEU   40  13.19 +/- 3.15   1.014% *  0.5693% (0.81   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   PRO   68 - HA    LEU   40  13.51 +/- 1.67   0.425% *  0.4558% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          HG3   GLN   30 - HA    GLU-  15  10.60 +/- 2.73   2.701% *  0.0289% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    GLU-  15   8.71 +/- 1.47   1.760% *  0.0399% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    LEU   40  11.30 +/- 6.33   3.133% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLU-  15  18.97 +/- 4.35   0.533% *  0.0666% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LEU   40  12.12 +/- 2.54   0.869% *  0.0322% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU-  15  14.61 +/- 4.84   0.751% *  0.0343% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    LEU   40  11.56 +/- 2.09   0.959% *  0.0234% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  13.24 +/- 2.18   0.492% *  0.0277% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.53 +/- 1.84   1.361% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35  13.31 +/- 6.94   4.599% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.81 +/- 2.52   1.056% *  0.0123% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  19.55 +/- 6.42   0.661% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.05 +/- 1.49   0.123% *  0.0539% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  13.90 +/- 2.42   0.469% *  0.0131% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  20.02 +/- 2.60   0.139% *  0.0368% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  16.82 +/- 3.03   0.390% *  0.0131% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  24.50 +/- 3.22   0.080% *  0.0564% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  17.80 +/- 3.31   0.372% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.52 +/- 0.95   0.667% *  0.0054% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  19.41 +/- 4.69   0.353% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.98 +/- 1.57   0.397% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  30.84 +/- 3.48   0.036% *  0.0698% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  26.35 +/- 2.47   0.052% *  0.0455% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.29 +/- 1.03   0.981% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  17.89 +/- 3.67   0.300% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.51 +/- 1.06   0.151% *  0.0123% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  24.21 +/- 3.71   0.080% *  0.0123% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  25.47 +/- 3.10   0.067% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  30.54 +/- 3.71   0.039% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  25.27 +/- 4.89   0.098% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.979, support = 2.07, residual support = 8.45:
    * O T HA    GLU-  15 - QG    GLU-  15   2.52 +/- 0.56  50.908% * 48.6758% (1.00  10.0 10.00   1.96   9.79) =  82.942%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.88 +/- 0.77  10.666% * 42.8274% (0.88   1.0 10.00   2.63   1.51) =  15.289%  kept
          HA    SER   13 - QG    GLU-  14   5.21 +/- 0.50   8.048% *  5.4753% (0.88   1.0  1.00   2.56   6.62) =   1.475%  kept
          HA    SER   13 - QG    GLU-  15   6.84 +/- 1.08   5.515% *  1.3244% (1.00   1.0  1.00   0.54   0.02) =   0.244%  kept
        T HA    LEU   40 - QG    GLU-  15  12.74 +/- 3.58   1.090% *  0.4605% (0.95   1.0 10.00   0.02   0.02) =   0.017%
        T HA    LEU   40 - QG    GLU-  14  13.80 +/- 2.78   0.778% *  0.4051% (0.83   1.0 10.00   0.02   0.02) =   0.011%
        T HA    GLU-  15 - QB    MET   11  11.27 +/- 1.58   0.831% *  0.1173% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG    GLU-  15   6.88 +/- 0.48   3.505% *  0.0276% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG    GLU-  14   7.55 +/- 1.38   3.078% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASN   35 - QG    GLU-  15  13.56 +/- 2.68   0.599% *  0.1084% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU   40 - QB    MET   11  20.27 +/- 4.15   0.580% *  0.1110% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASN   35 - QG    GLU-  14  14.71 +/- 2.57   0.532% *  0.0953% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   37 - QG    GLU-  15  11.57 +/- 4.24   1.767% *  0.0276% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    MET   11   6.51 +/- 0.75   3.912% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - QG    GLU-  14  13.07 +/- 3.41   1.336% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG    GLU-  14  19.32 +/- 3.92   0.389% *  0.0427% (0.88   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASN   35 - QB    MET   11  19.24 +/- 4.42   0.510% *  0.0261% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  16.93 +/- 4.85   1.596% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  19.40 +/- 2.96   0.215% *  0.0486% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  21.69 +/- 6.45   0.526% *  0.0146% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  16.68 +/- 5.56   1.085% *  0.0058% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  20.95 +/- 6.04   0.318% *  0.0166% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  21.66 +/- 3.10   0.124% *  0.0277% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  22.08 +/- 3.16   0.107% *  0.0315% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  16.28 +/- 4.97   0.459% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  13.79 +/- 2.16   0.450% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  22.83 +/- 3.24   0.141% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  22.82 +/- 2.45   0.100% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  25.85 +/- 3.88   0.087% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.74 +/- 6.92   0.529% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  27.97 +/- 4.43   0.084% *  0.0076% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  28.81 +/- 6.26   0.084% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  29.32 +/- 3.65   0.050% *  0.0029% (0.06   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 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 84.5:
    * O T HB2   GLN   17 - HA    GLN   17   2.73 +/- 0.24  69.681% * 89.9221% (1.00  10.0 10.00   4.17  85.22) =  99.147%  kept
        T QB    GLU-  15 - HA    GLN   17   6.71 +/- 0.36   5.198% *  8.9423% (1.00   1.0 10.00   0.20   0.02) =   0.735%  kept
        T HB3   PRO   68 - HA    GLN   17  11.61 +/- 6.37   9.537% *  0.7200% (0.80   1.0 10.00   0.02   0.02) =   0.109%  kept
          HB    ILE   19 - HA    GLN   17   7.98 +/- 0.51   3.157% *  0.0509% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HA    GLN   17  10.75 +/- 2.52   3.885% *  0.0370% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    GLN   17  12.22 +/- 5.31   2.617% *  0.0438% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HA    GLN   17  20.27 +/- 6.38   3.058% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLN   17  18.93 +/- 3.78   0.616% *  0.0851% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLN   17  12.02 +/- 2.48   1.792% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  27.20 +/- 3.81   0.103% *  0.0891% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  23.33 +/- 2.42   0.132% *  0.0582% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  20.91 +/- 3.28   0.224% *  0.0157% (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 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.1:
    * O T QG    GLN   17 - HA    GLN   17   2.47 +/- 0.44  88.656% * 98.5118% (0.76  10.0 10.00   4.31  85.22) =  99.911%  kept
        T HB    VAL   70 - HA    GLN   17  10.22 +/- 4.52   6.821% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.084%
          HB2   MET   96 - HA    GLN   17  18.04 +/- 4.27   1.069% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HA    GLN   17  19.47 +/- 6.15   1.469% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLN   17  16.67 +/- 5.17   1.183% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLN   17  18.20 +/- 3.72   0.531% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLN   17  20.59 +/- 2.96   0.271% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.2, support = 3.61, residual support = 48.7:
    * O T HA    GLN   17 - HB2   GLN   17   2.73 +/- 0.24  29.587% * 51.6610% (0.24  10.0 10.00   4.17  85.22) =  51.919%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.42 +/- 0.15  40.767% * 32.8291% (0.15  10.0 10.00   3.14   9.79) =  45.460%  kept
        T HA    GLU-  15 - HB2   GLN   17   5.20 +/- 0.95   6.123% * 11.1192% (0.14   1.0 10.00   0.76   0.02) =   2.313%  kept
        T HA    GLN   17 - HB3   PRO   68  11.61 +/- 6.37   4.853% *  1.2962% (0.61   1.0 10.00   0.02   0.02) =   0.214%  kept
        T HA    GLN   17 - QB    GLU-  15   6.71 +/- 0.36   1.965% *  0.5799% (0.27   1.0 10.00   0.02   0.02) =   0.039%
        T HA    GLU-  15 - HB3   PRO   68  13.81 +/- 5.89   0.878% *  0.7338% (0.34   1.0 10.00   0.02   0.02) =   0.022%
          HA    SER   13 - HB2   GLN   17   8.26 +/- 2.20   7.004% *  0.0292% (0.14   1.0  1.00   0.02   0.02) =   0.007%
        T HA    LEU   40 - QB    GLU-  15  13.19 +/- 3.15   0.664% *  0.2176% (0.10   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LEU   40 - HB2   GLN   17  14.49 +/- 3.50   0.684% *  0.1939% (0.09   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LEU   40 - HB3   PRO   68  13.51 +/- 1.67   0.270% *  0.4865% (0.23   1.0 10.00   0.02   0.02) =   0.004%
          HA    SER   13 - QB    GLU-  15   6.02 +/- 0.76   3.141% *  0.0328% (0.15   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   37 - HB3   PRO   68  16.56 +/- 3.18   0.629% *  0.1296% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - QB    GLU-  15  11.92 +/- 3.96   0.949% *  0.0580% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - HB2   GLN   17  15.78 +/- 3.47   0.515% *  0.0517% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   PRO   68  14.48 +/- 2.20   0.263% *  0.0786% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB2   GLN   17  14.75 +/- 3.91   0.620% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   PRO   68  17.00 +/- 4.37   0.221% *  0.0734% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   68  20.46 +/- 2.77   0.087% *  0.1285% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  16.80 +/- 1.93   0.142% *  0.0682% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  15.43 +/- 2.97   0.218% *  0.0352% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  20.28 +/- 4.17   0.098% *  0.0512% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  17.67 +/- 3.21   0.165% *  0.0272% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  22.21 +/- 2.95   0.060% *  0.0575% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  19.58 +/- 2.84   0.098% *  0.0305% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.197, support = 4.31, residual support = 81.1:
    * O T QG    GLN   17 - HB2   GLN   17   2.32 +/- 0.13  75.779% * 38.2452% (0.18  10.0 10.00   4.49  85.22) =  95.130%  kept
        T HB    VAL   70 - HB3   PRO   68   7.87 +/- 0.62   2.152% * 52.2003% (0.51   1.0 10.00   1.00   0.02) =   3.687%  kept
        T QG    GLN   17 - QB    GLU-  15   5.89 +/- 0.85   6.237% *  4.2690% (0.21   1.0 10.00   0.20   0.02) =   0.874%  kept
        T QG    GLN   17 - HB3   PRO   68  11.03 +/- 4.96   6.753% *  0.9596% (0.46   1.0 10.00   0.02   0.02) =   0.213%  kept
        T HG2   GLU- 100 - HB2   GLN   17  19.98 +/- 6.41   1.859% *  0.3237% (0.16   1.0 10.00   0.02   0.02) =   0.020%
        T HB2   GLU-  25 - HB2   GLN   17  17.33 +/- 4.10   1.583% *  0.3237% (0.16   1.0 10.00   0.02   0.02) =   0.017%
        T HB    VAL   70 - HB2   GLN   17  11.30 +/- 3.20   1.081% *  0.4180% (0.20   1.0 10.00   0.02   0.02) =   0.015%
        T HB    VAL   70 - QB    GLU-  15  12.59 +/- 3.39   0.845% *  0.4692% (0.23   1.0 10.00   0.02   0.02) =   0.013%
        T HG2   GLU- 100 - HB3   PRO   68  19.65 +/- 5.37   0.374% *  0.8123% (0.39   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   GLU- 100 - QB    GLU-  15  17.38 +/- 5.89   0.828% *  0.3634% (0.18   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   GLU-  25 - QB    GLU-  15  17.60 +/- 3.90   0.435% *  0.3634% (0.18   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  25 - HB3   PRO   68  23.22 +/- 4.82   0.179% *  0.8123% (0.39   1.0 10.00   0.02   0.02) =   0.005%
          HB2   MET   96 - HB2   GLN   17  18.83 +/- 4.09   0.433% *  0.0496% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   PRO   68  18.90 +/- 2.00   0.159% *  0.1244% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   PRO   68  20.02 +/- 3.25   0.164% *  0.0711% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.75 +/- 4.61   0.351% *  0.0283% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  19.59 +/- 2.80   0.165% *  0.0557% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  19.38 +/- 3.87   0.188% *  0.0428% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.01 +/- 3.76   0.186% *  0.0318% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  21.53 +/- 2.98   0.121% *  0.0192% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  21.69 +/- 3.54   0.130% *  0.0171% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.763, support = 4.3, residual support = 85.0:
    * O T HA    GLN   17 - QG    GLN   17   2.47 +/- 0.44  58.924% * 98.3803% (0.76  10.0 10.00   4.31  85.22) =  99.733%  kept
          HA    GLU-  15 - QG    GLN   17   5.35 +/- 1.00  14.890% *  0.9249% (0.43   1.0  1.00   0.33   0.02) =   0.237%  kept
        T HA    GLN   17 - HB    VAL   70  10.22 +/- 4.52   4.494% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.016%
          HA    SER   13 - QG    GLN   17   7.47 +/- 1.91   6.645% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.006%
          HA    SER   37 - QG    GLN   17  14.49 +/- 3.71   1.531% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   42 - QG    GLN   17  13.34 +/- 3.80   1.820% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - QG    GLN   17  13.12 +/- 3.65   2.171% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    VAL   70   7.55 +/- 2.00   3.542% *  0.0122% (0.09   1.0  1.00   0.02   0.51) =   0.001%
          HA    THR   46 - QG    GLN   17  18.32 +/- 4.08   0.281% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  15.89 +/- 3.33   0.418% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   7.85 +/- 1.15   2.353% *  0.0076% (0.06   1.0  1.00   0.02  35.87) =   0.000%
          HA    GLU-  15 - HB    VAL   70  12.68 +/- 3.58   1.203% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  13.84 +/- 1.82   0.480% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  15.32 +/- 1.94   0.402% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  13.31 +/- 1.63   0.558% *  0.0106% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  16.84 +/- 2.50   0.286% *  0.0114% (0.09   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 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.763, support = 4.48, residual support = 85.1:
    * O T HB2   GLN   17 - QG    GLN   17   2.32 +/- 0.13  65.070% * 95.9708% (0.76  10.0 10.00   4.49  85.22) =  99.801%  kept
        T QB    GLU-  15 - QG    GLN   17   5.89 +/- 0.85   5.364% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.082%
        T HB3   PRO   68 - QG    GLN   17  11.03 +/- 4.96   5.745% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.071%
        T HB3   GLU-  25 - QG    GLN   17  16.66 +/- 3.92   1.491% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.022%
        T HB3   GLU- 100 - QG    GLN   17  18.46 +/- 6.18   1.744% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   PRO   68 - HB    VAL   70   7.87 +/- 0.62   1.847% *  0.1574% (0.13   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLN   17 - HB    VAL   70  11.30 +/- 3.20   0.925% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - QG    GLN   17   9.89 +/- 2.47   3.635% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QB    GLU-  15 - HB    VAL   70  12.59 +/- 3.39   0.719% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - QG    GLN   17  11.60 +/- 4.07   2.886% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - QG    GLN   17   7.72 +/- 0.89   2.212% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QG    GLN   17  11.05 +/- 2.55   2.008% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLU-  25 - HB    VAL   70  20.04 +/- 2.87   0.144% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   7.41 +/- 1.17   2.673% *  0.0096% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  16.77 +/- 4.34   0.277% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.71 +/- 2.39   0.933% *  0.0111% (0.09   1.0  1.00   0.02   0.12) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  25.37 +/- 3.25   0.062% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  11.78 +/- 2.17   0.692% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  21.74 +/- 2.29   0.090% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  21.99 +/- 4.18   0.163% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  19.73 +/- 3.14   0.144% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.70 +/- 1.96   0.670% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  18.22 +/- 2.66   0.175% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  16.06 +/- 3.20   0.330% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.3:
    * O T HB    VAL   18 - HA    VAL   18   2.64 +/- 0.30  88.765% * 99.6862% (1.00  10.0 10.00   3.55  76.31) =  99.990%  kept
          HB2   LEU   67 - HA    VAL   18   9.38 +/- 4.26   8.846% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU   40 - HA    VAL   18  12.26 +/- 3.76   1.475% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HA    VAL   18  18.11 +/- 3.10   0.428% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  20.49 +/- 3.06   0.224% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  19.68 +/- 1.97   0.262% *  0.0524% (0.53   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 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.2:
    * O T QG1   VAL   18 - HA    VAL   18   2.44 +/- 0.35  83.646% * 97.4884% (1.00  10.0 10.00   4.11  76.31) =  99.800%  kept
          QD1   LEU   71 - HA    VAL   18   9.03 +/- 5.40   8.339% *  1.3408% (0.84   1.0  1.00   0.33   0.02) =   0.137%  kept
        T QG1   VAL   70 - HA    VAL   18   8.75 +/- 3.38   5.234% *  0.9556% (0.98   1.0 10.00   0.02   0.02) =   0.061%
          HB3   LEU   63 - HA    VAL   18  11.05 +/- 2.17   1.687% *  0.0670% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    VAL   18  15.30 +/- 4.05   0.633% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   18  18.43 +/- 3.05   0.258% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  20.27 +/- 2.29   0.204% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.982, support = 4.12, residual support = 72.9:
    * O T QG2   VAL   18 - HA    VAL   18   2.83 +/- 0.36  63.412% * 85.3191% (1.00  10.0 10.00   4.11  76.31) =  93.735%  kept
          QD1   ILE   19 - HA    VAL   18   4.74 +/- 1.18  26.807% * 13.3645% (0.73   1.0  1.00   4.31  22.62) =   6.207%  kept
        T QG1   VAL   41 - HA    VAL   18  10.23 +/- 3.72   4.040% *  0.6520% (0.76   1.0 10.00   0.02   0.02) =   0.046%
        T QD2   LEU  104 - HA    VAL   18  14.63 +/- 2.93   0.810% *  0.4830% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   43 - HA    VAL   18  10.86 +/- 4.14   2.663% *  0.0788% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    VAL   18  12.69 +/- 3.49   1.134% *  0.0836% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    VAL   18  11.66 +/- 1.65   1.135% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.3:
    * O T HA    VAL   18 - HB    VAL   18   2.64 +/- 0.30  93.500% * 99.3791% (1.00  10.0 10.00   3.55  76.31) =  99.995%  kept
          HA    VAL   70 - HB    VAL   18  11.27 +/- 4.94   2.796% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - HB    VAL   18  15.67 +/- 2.28   0.753% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   18  16.30 +/- 2.08   0.616% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB    VAL   18  18.51 +/- 5.79   0.710% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB    VAL   18  21.52 +/- 6.50   0.435% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  17.17 +/- 1.78   0.429% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  19.69 +/- 2.55   0.264% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  23.66 +/- 4.98   0.195% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  20.68 +/- 4.25   0.303% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 76.3:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.01  90.346% * 99.5994% (1.00  10.0 10.00   3.43  76.31) =  99.991%  kept
          QD1   LEU   71 - HB    VAL   18  10.40 +/- 5.38   4.224% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - HB    VAL   18   9.45 +/- 3.58   2.759% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HB    VAL   18  10.93 +/- 2.76   1.947% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB    VAL   18  15.23 +/- 3.93   0.404% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  19.23 +/- 3.92   0.183% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  20.14 +/- 3.16   0.137% *  0.0197% (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 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.24, residual support = 75.9:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.02  89.750% * 86.8139% (1.00  10.0 10.00   3.23  76.31) =  99.262%  kept
          QD1   ILE   19 - HB    VAL   18   6.38 +/- 1.02   4.776% * 11.8466% (0.73   1.0  1.00   3.76  22.62) =   0.721%  kept
        T QG1   VAL   41 - HB    VAL   18  11.67 +/- 3.87   1.234% *  0.6635% (0.76   1.0 10.00   0.02   0.02) =   0.010%
        T QD2   LEU  104 - HB    VAL   18  15.44 +/- 3.63   0.548% *  0.4915% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HB    VAL   18  11.39 +/- 4.68   2.210% *  0.0801% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   18  12.27 +/- 4.11   1.046% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   18  13.21 +/- 1.57   0.437% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 76.3:
    * O T HA    VAL   18 - QG1   VAL   18   2.44 +/- 0.35  91.797% * 97.2871% (1.00  10.0 10.00   4.11  76.31) =  99.959%  kept
        T HA    VAL   70 - QG1   VAL   18   9.74 +/- 3.90   3.548% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.027%
        T HA    SER   48 - QG1   VAL   18  14.81 +/- 4.51   0.845% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   SER   82 - QG1   VAL   18  17.05 +/- 5.42   0.520% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLU-  29 - QG1   VAL   18  12.87 +/- 1.56   0.777% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   18  13.62 +/- 1.43   0.680% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   18  16.24 +/- 2.38   0.467% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  14.21 +/- 1.20   0.576% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  18.98 +/- 4.04   0.296% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  16.67 +/- 3.49   0.494% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 76.3:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.01  93.059% * 99.6862% (1.00  10.0 10.00   3.43  76.31) =  99.994%  kept
          HB2   LEU   67 - QG1   VAL   18   8.56 +/- 3.66   5.031% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   40 - QG1   VAL   18  11.62 +/- 3.05   0.875% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  16.17 +/- 2.92   0.270% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  14.39 +/- 3.22   0.490% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  15.74 +/- 2.02   0.275% *  0.0524% (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 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 4.0, residual support = 75.4:
    * O T QG2   VAL   18 - QG1   VAL   18   2.05 +/- 0.06  82.150% * 85.2955% (1.00  10.0 10.00   4.00  76.31) =  98.367%  kept
          QD1   ILE   19 - QG1   VAL   18   5.22 +/- 0.98   8.548% * 13.3884% (0.73   1.0  1.00   4.32  22.62) =   1.607%  kept
        T QG1   VAL   41 - QG1   VAL   18   9.60 +/- 3.19   1.544% *  0.6519% (0.76   1.0 10.00   0.02   0.02) =   0.014%
          QG1   VAL   43 - QG1   VAL   18   9.01 +/- 3.87   4.555% *  0.0787% (0.92   1.0  1.00   0.02   0.02) =   0.005%
        T QD2   LEU  104 - QG1   VAL   18  12.62 +/- 2.96   0.667% *  0.4829% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QG2   THR   46 - QG1   VAL   18   9.63 +/- 3.31   1.819% *  0.0836% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QG1   VAL   18  10.60 +/- 1.29   0.718% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.1:
    * O T HA    VAL   18 - QG2   VAL   18   2.83 +/- 0.36  58.654% * 95.1353% (1.00  10.0 10.00   4.11  76.31) =  99.748%  kept
          HA    LYS+  33 - QG1   VAL   41   8.27 +/- 1.62   3.352% *  2.9203% (0.72   1.0  1.00   0.85   0.02) =   0.175%  kept
        T HA    VAL   18 - QG1   VAL   41  10.23 +/- 3.72   3.552% *  0.7271% (0.76   1.0 10.00   0.02   0.02) =   0.046%
          HA    VAL   70 - QG1   VAL   41   7.10 +/- 1.66   9.464% *  0.0499% (0.52   1.0  1.00   0.02   2.61) =   0.008%
          HA    VAL   70 - QG2   VAL   18   9.36 +/- 3.45   3.412% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  29 - QG1   VAL   41   9.84 +/- 2.41   2.371% *  0.0725% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   32 - QG1   VAL   41   7.79 +/- 2.44   4.433% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - QG2   VAL   18  13.13 +/- 2.35   1.323% *  0.0949% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL   18 - QD2   LEU  104  14.63 +/- 2.93   0.718% *  0.1462% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   48 - QG2   VAL   18  14.81 +/- 4.70   1.174% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QG1   VAL   41  17.51 +/- 3.82   1.295% *  0.0528% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG2   VAL   18  13.82 +/- 1.71   0.676% *  0.0900% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG2   VAL   18  17.71 +/- 4.93   0.452% *  0.0943% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG1   VAL   41  16.33 +/- 3.52   0.436% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG2   VAL   18  14.49 +/- 1.81   0.621% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  16.12 +/- 2.11   0.387% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  17.36 +/- 2.47   0.461% *  0.0499% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104  11.60 +/- 3.53   1.634% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  16.16 +/- 2.28   0.381% *  0.0354% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  19.50 +/- 3.73   0.260% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  16.61 +/- 3.53   0.399% *  0.0265% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  15.15 +/- 3.37   0.752% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  16.27 +/- 3.26   0.619% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  19.12 +/- 3.17   0.337% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  17.85 +/- 2.99   0.366% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  15.29 +/- 2.66   0.508% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  14.34 +/- 3.38   0.725% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  15.26 +/- 2.40   0.510% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  19.29 +/- 3.43   0.271% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  19.67 +/- 3.47   0.455% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 3.24, residual support = 76.0:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.02  72.446% * 92.5315% (1.00  10.0 10.00   3.23  76.31) =  99.481%  kept
          HB2   LEU   40 - QG1   VAL   41   5.30 +/- 0.35   4.793% *  5.7141% (0.26   1.0  1.00   4.74  21.29) =   0.406%  kept
          HB2   LEU   67 - QG2   VAL   18   7.85 +/- 3.55  14.595% *  0.4535% (0.90   1.0  1.00   0.11   0.02) =   0.098%
        T HB    VAL   18 - QG1   VAL   41  11.67 +/- 3.87   0.996% *  0.7072% (0.76   1.0 10.00   0.02   0.02) =   0.010%
          HB2   LEU   67 - QG1   VAL   41   9.95 +/- 2.01   1.181% *  0.0634% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   18 - QD2   LEU  104  15.44 +/- 3.63   0.442% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG2   VAL   18  11.60 +/- 2.60   0.618% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  15.92 +/- 2.75   0.213% *  0.0830% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  14.33 +/- 2.85   0.364% *  0.0450% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  15.71 +/- 2.14   0.242% *  0.0487% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   9.57 +/- 4.32   2.249% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  19.76 +/- 3.47   0.158% *  0.0634% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  13.00 +/- 3.25   0.726% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.34 +/- 1.98   0.202% *  0.0372% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  17.69 +/- 2.75   0.165% *  0.0344% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.62 +/- 1.89   0.267% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  17.44 +/- 3.76   0.235% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  20.38 +/- 3.23   0.109% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.964, support = 4.05, residual support = 81.6:
    * O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  50.522% * 90.5973% (1.00  10.0 10.00   4.00  76.31) =  96.144%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.72 +/- 0.47  26.468% *  6.7762% (0.07  10.0 10.00   5.43 217.23) =   3.767%  kept
          QD1   LEU   71 - QG1   VAL   41   6.15 +/- 1.96   4.964% *  0.4603% (0.64   1.0  1.00   0.16   2.75) =   0.048%
        T QG1   VAL   18 - QG1   VAL   41   9.60 +/- 3.19   0.923% *  0.6924% (0.76   1.0 10.00   0.02   0.02) =   0.013%
          QD1   LEU   71 - QG2   VAL   18   8.63 +/- 4.03   4.220% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   LEU  104 - QG1   VAL   41  10.67 +/- 3.35   0.593% *  0.3370% (0.37   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - QG2   VAL   18   7.78 +/- 2.53   1.906% *  0.0888% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - QG1   VAL   41  13.87 +/- 4.25   2.463% *  0.0578% (0.64   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - QG1   VAL   41   6.73 +/- 1.19   1.949% *  0.0679% (0.75   1.0  1.00   0.02   2.61) =   0.003%
          HB3   LEU   63 - QG2   VAL   18   8.59 +/- 1.97   1.371% *  0.0622% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QG2   VAL   18  16.09 +/- 3.00   0.182% *  0.4410% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - QD2   LEU  104  12.62 +/- 2.96   0.428% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG1   VAL   41  11.49 +/- 2.35   0.603% *  0.0476% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG2   VAL   18  12.58 +/- 3.27   0.378% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   9.39 +/- 3.10   1.075% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  11.41 +/- 2.99   0.491% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.90 +/- 3.21   0.496% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  12.46 +/- 3.97   0.406% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  14.41 +/- 1.48   0.161% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  16.61 +/- 2.41   0.116% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  11.69 +/- 0.55   0.285% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.0:
    * O T HB    ILE   19 - HA    ILE   19   2.89 +/- 0.19  82.735% * 98.7896% (1.00  10.0 10.00   5.75 170.05) =  99.977%  kept
        T HB3   GLU-  25 - HA    ILE   19  13.35 +/- 2.27   1.274% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.012%
          HB2   GLN   17 - HA    ILE   19   6.06 +/- 0.55   9.729% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - HA    ILE   19   9.16 +/- 1.29   3.350% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    ILE   19  15.30 +/- 2.15   0.750% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    ILE   19  14.85 +/- 3.04   1.144% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  22.71 +/- 2.31   0.192% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  19.39 +/- 3.44   0.422% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  21.09 +/- 2.57   0.250% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  26.47 +/- 3.64   0.154% *  0.0481% (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 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 0.972, support = 6.09, residual support = 163.1:
    * O T HG12  ILE   19 - HA    ILE   19   3.12 +/- 0.56  62.132% * 84.4574% (1.00  10.0 10.00   6.31 170.05) =  95.759%  kept
        T HG    LEU   73 - HA    ILE   19   7.36 +/- 2.82  16.170% * 14.2413% (0.34   1.0 10.00   0.99   5.82) =   4.202%  kept
        T HG    LEU   80 - HA    ILE   19  16.36 +/- 6.82   1.269% *  0.8278% (0.98   1.0 10.00   0.02   0.02) =   0.019%
          HB3   LYS+  74 - HA    ILE   19   7.53 +/- 3.74  10.266% *  0.0478% (0.57   1.0  1.00   0.02   8.14) =   0.009%
          QB    ALA   61 - HA    ILE   19  10.50 +/- 2.38   3.379% *  0.0733% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   67 - HA    ILE   19  11.84 +/- 1.90   1.991% *  0.0613% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - HA    ILE   19  16.15 +/- 5.78   1.356% *  0.0645% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    ILE   19  13.11 +/- 1.86   1.137% *  0.0444% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    ILE   19  14.88 +/- 3.45   1.341% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ILE   19  21.72 +/- 2.86   0.255% *  0.0837% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  21.69 +/- 4.11   0.391% *  0.0512% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  22.36 +/- 4.69   0.312% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 169.9:
    * O T HG13  ILE   19 - HA    ILE   19   3.20 +/- 0.78  72.241% * 98.2804% (1.00  10.0 10.00   5.75 170.05) =  99.905%  kept
        T HG    LEU   71 - HA    ILE   19  10.24 +/- 4.25   5.585% *  0.8814% (0.90   1.0 10.00   0.02   0.82) =   0.069%
          HG2   LYS+  74 - HA    ILE   19   9.02 +/- 3.58   8.064% *  0.0907% (0.92   1.0  1.00   0.02   8.14) =   0.010%
          QG2   THR   39 - HA    ILE   19  10.73 +/- 3.56   5.415% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.006%
        T QG2   ILE   56 - HA    ILE   19  16.16 +/- 2.16   1.117% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   34 - HA    ILE   19   9.69 +/- 1.47   4.948% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HA    ILE   19  18.74 +/- 3.84   0.580% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   19  20.28 +/- 2.36   0.534% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    ILE   19  17.37 +/- 2.36   0.730% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    ILE   19  20.57 +/- 3.18   0.559% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  27.22 +/- 3.49   0.227% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.21 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.981, support = 4.94, residual support = 160.0:
    *   T QD1   ILE   19 - HA    ILE   19   2.97 +/- 0.52  61.129% * 84.7496% (1.00 10.00   4.94 170.05) =  93.157%  kept
          QG2   VAL   18 - HA    ILE   19   4.47 +/- 0.77  25.315% * 15.0136% (0.73  1.00   4.88  22.62) =   6.834%  kept
          QG1   VAL   41 - HA    ILE   19  10.52 +/- 3.06   4.551% *  0.0262% (0.31  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    ILE   19  13.16 +/- 2.88   1.576% *  0.0708% (0.84  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    ILE   19  11.36 +/- 3.44   2.318% *  0.0413% (0.49  1.00   0.02   0.02) =   0.002%
          QD1   LEU   98 - HA    ILE   19  14.26 +/- 3.74   4.242% *  0.0168% (0.20  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    ILE   19  15.78 +/- 3.03   0.869% *  0.0818% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 2.94 A violated in 0 structures by 0.18 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.0:
    * O T HA    ILE   19 - HB    ILE   19   2.89 +/- 0.19  93.563% * 98.6066% (1.00  10.0 10.00   5.75 170.05) =  99.983%  kept
        T HA    GLU-  25 - HB    ILE   19  12.43 +/- 1.46   1.476% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.015%
        T HA    SER   82 - HB    ILE   19  21.09 +/- 5.18   0.360% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB    ILE   19   9.28 +/- 1.64   4.213% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    ILE   19  19.41 +/- 2.89   0.388% *  0.0884% (0.90   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 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 = 0.932, support = 4.97, residual support = 152.8:
    * O T HG12  ILE   19 - HB    ILE   19   2.53 +/- 0.24  66.673% * 71.0471% (1.00  10.0 10.00   5.30 170.05) =  89.512%  kept
        T HG    LEU   73 - HB    ILE   19   5.55 +/- 3.41  22.162% * 24.2348% (0.34   1.0 10.00   2.22   5.82) =  10.149%  kept
          HB3   LYS+  74 - HB    ILE   19   7.80 +/- 3.70   5.202% *  3.1994% (0.57   1.0  1.00   1.59   8.14) =   0.314%  kept
        T HG    LEU   80 - HB    ILE   19  15.64 +/- 7.34   0.822% *  0.6964% (0.98   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   LEU   67 - HB    ILE   19  11.82 +/- 2.31   0.945% *  0.5159% (0.73   1.0 10.00   0.02   0.02) =   0.009%
          QB    ALA   61 - HB    ILE   19  10.40 +/- 2.49   1.635% *  0.0616% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - HB    ILE   19  15.48 +/- 6.20   0.594% *  0.0543% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HB    ILE   19  13.39 +/- 2.11   0.583% *  0.0374% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  13.35 +/- 3.40   0.796% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  20.67 +/- 4.40   0.241% *  0.0431% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  21.03 +/- 2.41   0.137% *  0.0704% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.61 +/- 4.35   0.209% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 4.92, residual support = 167.1:
    * O T HG13  ILE   19 - HB    ILE   19   2.52 +/- 0.27  78.733% * 77.1855% (1.00  10.0 10.00   5.00 170.05) =  98.193%  kept
        T HG2   LYS+  74 - HB    ILE   19   9.21 +/- 3.63   5.115% * 19.6921% (0.92   1.0 10.00   0.55   8.14) =   1.627%  kept
        T HG    LEU   71 - HB    ILE   19   9.52 +/- 4.77   3.952% *  2.6586% (0.90   1.0 10.00   0.08   0.82) =   0.170%  kept
          QG2   THR   39 - HB    ILE   19   9.76 +/- 4.00   6.703% *  0.0645% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          QB    ALA   34 - HB    ILE   19   8.21 +/- 1.69   3.698% *  0.0172% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB    ILE   19  17.25 +/- 3.47   0.436% *  0.0730% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB    ILE   19  16.02 +/- 2.63   0.422% *  0.0437% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  15.66 +/- 2.24   0.449% *  0.0290% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  19.58 +/- 2.12   0.192% *  0.0645% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  26.37 +/- 3.11   0.080% *  0.1527% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  19.36 +/- 3.14   0.221% *  0.0192% (0.25   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 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.989, support = 4.21, residual support = 164.4:
    * O T QD1   ILE   19 - HB    ILE   19   2.96 +/- 0.31  69.258% * 84.7637% (1.00  10.0 10.00   4.18 170.05) =  96.176%  kept
          QG2   VAL   18 - HB    ILE   19   5.50 +/- 0.81  15.521% * 14.9995% (0.73   1.0  1.00   4.87  22.62) =   3.814%  kept
          QG1   VAL   43 - HB    ILE   19  10.06 +/- 3.55   3.761% *  0.0413% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HB    ILE   19  12.74 +/- 2.97   2.046% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   41 - HB    ILE   19   8.94 +/- 3.26   5.533% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HB    ILE   19  14.39 +/- 2.76   0.924% *  0.0818% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB    ILE   19  12.95 +/- 3.47   2.957% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.81 A violated in 0 structures by 0.20 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 0.973, support = 6.1, residual support = 163.4:
    * O T HA    ILE   19 - HG12  ILE   19   3.12 +/- 0.56  57.179% * 85.4855% (1.00  10.0 10.00   6.31 170.05) =  95.941%  kept
        T HA    ILE   19 - HG    LEU   73   7.36 +/- 2.82  14.916% * 13.8009% (0.33   1.0 10.00   0.99   5.82) =   4.040%  kept
        T HA    ILE   19 - HG    LEU   80  16.36 +/- 6.82   1.175% *  0.3506% (0.41   1.0 10.00   0.02   0.02) =   0.008%
          HA    GLU-  25 - HG    LEU   80  15.55 +/- 8.39   3.224% *  0.0324% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   82 - HG    LEU   80   7.37 +/- 1.15   7.017% *  0.0132% (0.15   1.0  1.00   0.02   0.37) =   0.002%
          HA    GLU-  25 - HG12  ILE   19  13.36 +/- 1.89   1.129% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - HG12  ILE   19   9.90 +/- 2.06   3.639% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  25 - HG    LEU   73  11.43 +/- 2.34   2.242% *  0.0258% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   73   9.70 +/- 2.73   5.301% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG12  ILE   19  20.50 +/- 3.24   0.452% *  0.0767% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG    LEU   73  16.87 +/- 3.47   0.889% *  0.0250% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  16.53 +/- 8.05   1.663% *  0.0087% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  19.12 +/- 2.86   0.373% *  0.0314% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  22.44 +/- 4.89   0.274% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  18.35 +/- 3.39   0.528% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 0.934, support = 5.0, residual support = 154.0:
    * O T HB    ILE   19 - HG12  ILE   19   2.53 +/- 0.24  60.602% * 74.6257% (1.00  10.0 10.00   5.30 170.05) =  90.237%  kept
        T HB    ILE   19 - HG    LEU   73   5.55 +/- 3.41  20.042% * 24.3716% (0.33   1.0 10.00   2.22   5.82) =   9.746%  kept
          HB2   GLN   17 - HG12  ILE   19   6.67 +/- 1.23   7.210% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.006%
        T HB    ILE   19 - HG    LEU   80  15.64 +/- 7.34   0.751% *  0.3061% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - HG12  ILE   19   8.34 +/- 1.62   2.343% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HG12  ILE   19  14.91 +/- 2.32   0.402% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG12  ILE   19  13.88 +/- 2.04   0.487% *  0.0570% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG    LEU   80  16.17 +/- 8.39   0.941% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  19.84 +/- 3.77   0.572% *  0.0307% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  12.04 +/- 2.90   1.208% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.48 +/- 2.44   0.744% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  14.43 +/- 3.18   0.598% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  13.36 +/- 2.83   0.614% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  22.73 +/- 2.56   0.100% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  20.35 +/- 6.87   0.406% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  16.00 +/- 1.60   0.276% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  21.26 +/- 6.51   0.349% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  19.22 +/- 3.63   0.243% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  17.20 +/- 3.92   0.450% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.70 +/- 2.66   0.145% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.24 +/- 2.77   0.129% *  0.0280% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  17.71 +/- 3.69   0.304% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  26.61 +/- 3.85   0.076% *  0.0363% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  23.40 +/- 2.97   0.090% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  20.54 +/- 3.23   0.153% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.81 +/- 1.66   0.313% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  22.61 +/- 4.08   0.129% *  0.0126% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  23.58 +/- 3.67   0.106% *  0.0149% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  22.89 +/- 4.33   0.125% *  0.0119% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  23.50 +/- 2.97   0.090% *  0.0068% (0.09   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 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 = 0.99, support = 5.2, residual support = 166.2:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  74.702% * 56.9749% (1.00  10.0 10.00   5.30 170.05) =  97.709%  kept
        T HG13  ILE   19 - HG    LEU   73   6.94 +/- 2.88   3.324% * 15.3192% (0.33   1.0 10.00   1.65   5.82) =   1.169%  kept
        T HG    LEU   71 - HG12  ILE   19   8.71 +/- 5.14   2.070% * 19.1177% (0.90   1.0 10.00   0.75   0.82) =   0.909%  kept
        T HG    LEU   71 - HG    LEU   73   9.24 +/- 2.33   1.130% *  7.6352% (0.29   1.0 10.00   0.92   1.48) =   0.198%  kept
          QG2   THR   39 - HG12  ILE   19   9.03 +/- 4.30   6.551% *  0.0476% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          HG2   LYS+  74 - HG12  ILE   19  10.45 +/- 3.64   2.538% *  0.0526% (0.92   1.0  1.00   0.02   8.14) =   0.003%
          HG2   LYS+  74 - HG    LEU   80  11.15 +/- 3.78   2.232% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HG    LEU   80  17.18 +/- 6.96   0.183% *  0.2337% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HG    LEU   80  19.48 +/- 4.19   0.088% *  0.2096% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   9.80 +/- 2.57   1.080% *  0.0155% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   8.05 +/- 1.97   1.220% *  0.0127% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.33 +/- 0.59   0.737% *  0.0172% (0.30   1.0  1.00   0.02  42.18) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  17.35 +/- 3.78   0.113% *  0.0539% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  15.11 +/- 2.92   0.158% *  0.0323% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   7.69 +/- 1.60   1.223% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.70 +/- 3.27   0.688% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  16.48 +/- 2.55   0.150% *  0.0214% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  13.85 +/- 1.17   0.164% *  0.0195% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  17.16 +/- 4.03   0.143% *  0.0195% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  15.87 +/- 3.47   0.153% *  0.0176% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  20.61 +/- 2.06   0.050% *  0.0476% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  11.80 +/- 2.00   0.304% *  0.0058% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  21.70 +/- 4.22   0.079% *  0.0221% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  16.94 +/- 1.60   0.091% *  0.0155% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  15.51 +/- 5.15   0.261% *  0.0052% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  16.23 +/- 2.06   0.112% *  0.0105% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  16.75 +/- 3.15   0.119% *  0.0088% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  20.66 +/- 3.07   0.053% *  0.0142% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  15.96 +/- 2.52   0.128% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  25.24 +/- 5.43   0.039% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  27.46 +/- 3.56   0.024% *  0.0113% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  23.05 +/- 3.59   0.044% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  23.53 +/- 4.02   0.045% *  0.0037% (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 = 0.989, support = 4.23, residual support = 166.5:
    * O T QD1   ILE   19 - HG12  ILE   19   2.14 +/- 0.01  57.547% * 76.5739% (1.00  10.0 10.00   4.26 170.05) =  97.721%  kept
          QG2   VAL   18 - HG12  ILE   19   5.62 +/- 0.92   4.205% * 12.9119% (0.73   1.0  1.00   4.64  22.62) =   1.204%  kept
        T QD1   ILE   19 - HG    LEU   73   6.36 +/- 2.12   4.847% *  9.4605% (0.33   1.0 10.00   0.76   5.82) =   1.017%  kept
          QG1   VAL   43 - HG    LEU   73   7.26 +/- 3.08  13.471% *  0.1469% (0.16   1.0  1.00   0.24   3.58) =   0.044%
        T QD1   ILE   19 - HG    LEU   80  14.48 +/- 5.97   0.455% *  0.3141% (0.41   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   98 - HG12  ILE   19  13.61 +/- 3.53   0.719% *  0.1515% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   41 - HG12  ILE   19   9.03 +/- 3.58   3.079% *  0.0236% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   98 - HG    LEU   80  12.74 +/- 3.66   0.715% *  0.0622% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG    LEU   80   9.37 +/- 3.46   2.668% *  0.0153% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HG    LEU   73   8.15 +/- 2.77   2.085% *  0.0182% (0.24   1.0  1.00   0.02   0.97) =   0.001%
          QG1   VAL   41 - HG    LEU   73   7.63 +/- 2.58   3.780% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG12  ILE   19  11.00 +/- 3.38   0.662% *  0.0373% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU   80  11.07 +/- 2.88   0.895% *  0.0262% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG12  ILE   19  13.76 +/- 2.78   0.343% *  0.0640% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.60 +/- 2.21   0.989% *  0.0209% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  14.79 +/- 2.81   0.240% *  0.0739% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  13.97 +/- 6.09   0.654% *  0.0228% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.65 +/- 3.50   0.603% *  0.0241% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  16.77 +/- 3.67   0.326% *  0.0303% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73  10.74 +/- 3.38   1.139% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  14.08 +/- 4.33   0.580% *  0.0097% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.0:
    * O T HA    ILE   19 - HG13  ILE   19   3.20 +/- 0.78  77.147% * 98.6722% (1.00  10.0 10.00   5.75 170.05) =  99.971%  kept
        T HA    ILE   19 - HG    LEU   71  10.24 +/- 4.25   5.954% *  0.1414% (0.14   1.0 10.00   0.02   0.82) =   0.011%
        T HA    CYS   53 - HG13  ILE   19  20.50 +/- 3.11   0.912% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.011%
          HA    THR   26 - HG13  ILE   19  10.12 +/- 2.44   9.633% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  25 - HG13  ILE   19  13.54 +/- 2.31   2.219% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.003%
        T HA    CYS   53 - HG    LEU   71  20.88 +/- 3.25   0.499% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   82 - HG13  ILE   19  22.63 +/- 4.73   0.401% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  17.33 +/- 2.05   0.934% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  14.74 +/- 2.84   1.988% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  24.37 +/- 3.38   0.312% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.11 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.0:
    * O T HB    ILE   19 - HG13  ILE   19   2.52 +/- 0.27  69.638% * 98.7569% (1.00  10.0 10.00   5.00 170.05) =  99.980%  kept
        T HB    ILE   19 - HG    LEU   71   9.52 +/- 4.77   3.492% *  0.1416% (0.14   1.0 10.00   0.02   0.82) =   0.007%
          HB2   GLN   17 - HG13  ILE   19   6.56 +/- 1.21   6.592% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - HG13  ILE   19   8.10 +/- 1.64   3.697% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HG13  ILE   19  14.08 +/- 2.36   0.774% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG    LEU   71  10.28 +/- 6.02   6.414% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG13  ILE   19  14.94 +/- 2.39   0.502% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HG13  ILE   19  19.71 +/- 3.71   0.966% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG13  ILE   19  26.50 +/- 3.73   0.073% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG    LEU   71  10.60 +/- 5.50   3.249% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  14.43 +/- 3.27   0.789% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  11.17 +/- 1.35   1.111% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  22.60 +/- 2.64   0.113% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  26.69 +/- 4.26   0.089% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.15 +/- 2.76   0.142% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.52 +/- 1.67   1.644% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  18.61 +/- 2.18   0.195% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  22.31 +/- 2.55   0.118% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  20.42 +/- 2.55   0.249% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  21.25 +/- 2.86   0.151% *  0.0053% (0.05   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 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 0.992, support = 5.25, residual support = 168.0:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  84.979% * 76.9010% (1.00  10.0 10.00   5.30 170.05) =  98.759%  kept
        T HG    LEU   73 - HG13  ILE   19   6.94 +/- 2.88   3.771% * 21.5965% (0.34   1.0 10.00   1.65   5.82) =   1.231%  kept
        T HG12  ILE   19 - HG    LEU   71   8.71 +/- 5.14   2.348% *  0.1102% (0.14   1.0 10.00   0.02   0.82) =   0.004%
        T HG    LEU   80 - HG13  ILE   19  17.18 +/- 6.96   0.209% *  0.7538% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HG13  ILE   19   9.12 +/- 3.50   2.209% *  0.0435% (0.57   1.0  1.00   0.02   8.14) =   0.001%
        T HG    LEU   73 - HG    LEU   71   9.24 +/- 2.33   1.281% *  0.0376% (0.05   1.0 10.00   0.02   1.48) =   0.001%
          QB    ALA   61 - HG13  ILE   19  10.96 +/- 2.33   0.577% *  0.0667% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HG13  ILE   19  11.58 +/- 2.65   0.468% *  0.0558% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.28 +/- 2.58   0.300% *  0.0405% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  19.48 +/- 4.19   0.100% *  0.1081% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  17.00 +/- 5.84   0.174% *  0.0588% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  13.85 +/- 3.46   0.322% *  0.0237% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.35 +/- 1.41   0.722% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  20.99 +/- 4.87   0.113% *  0.0466% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  11.28 +/- 2.12   0.529% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  21.86 +/- 3.06   0.052% *  0.0762% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.11 +/- 2.30   0.493% *  0.0062% (0.08   1.0  1.00   0.02   0.19) =   0.000%
          QB    LEU   98 - HG    LEU   71  12.93 +/- 3.78   0.622% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  12.36 +/- 1.61   0.293% *  0.0058% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  20.98 +/- 4.32   0.077% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  21.65 +/- 3.97   0.086% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  19.08 +/- 3.13   0.087% *  0.0084% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  19.83 +/- 4.14   0.099% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  19.62 +/- 4.13   0.090% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 0.997, support = 4.17, residual support = 168.6:
    * O T QD1   ILE   19 - HG13  ILE   19   2.14 +/- 0.01  71.878% * 84.5937% (1.00  10.0 10.00   4.17 170.05) =  98.998%  kept
          QG2   VAL   18 - HG13  ILE   19   5.83 +/- 0.67   4.046% * 15.0060% (0.73   1.0  1.00   4.89  22.62) =   0.988%  kept
        T QD1   ILE   19 - HG    LEU   71   7.45 +/- 3.86   4.794% *  0.1213% (0.14   1.0 10.00   0.02   0.82) =   0.009%
          QG1   VAL   41 - HG13  ILE   19   8.97 +/- 3.19   2.687% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG13  ILE   19  10.97 +/- 3.36   0.925% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HG    LEU   71   9.42 +/- 4.56   3.956% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG13  ILE   19  13.84 +/- 2.84   0.466% *  0.0707% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG    LEU   71   7.09 +/- 2.54   7.198% *  0.0037% (0.04   1.0  1.00   0.02   2.75) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  14.57 +/- 2.87   0.325% *  0.0816% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.48 +/- 3.50   1.229% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71  10.87 +/- 2.47   1.086% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  13.34 +/- 3.19   0.449% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.69 +/- 2.18   0.293% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  12.84 +/- 3.32   0.669% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 170.0:
    *   T HA    ILE   19 - QD1   ILE   19   2.97 +/- 0.52  87.797% * 99.7561% (1.00 10.00   4.94 170.05) =  99.994%  kept
          HA    GLU-  25 - QD1   ILE   19  10.87 +/- 1.62   2.522% *  0.0921% (0.92  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QD1   ILE   19   7.79 +/- 1.88   8.266% *  0.0249% (0.25  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QD1   ILE   19  17.92 +/- 2.34   0.714% *  0.0895% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QD1   ILE   19  19.02 +/- 4.22   0.701% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 169.7:
    * O T HB    ILE   19 - QD1   ILE   19   2.96 +/- 0.31  65.693% * 98.8615% (1.00  10.0 10.00   4.18 170.05) =  99.794%  kept
          HB2   GLN   17 - QD1   ILE   19   5.73 +/- 1.35  18.909% *  0.6631% (0.57   1.0  1.00   0.24   0.02) =   0.193%  kept
          QB    GLU-  15 - QD1   ILE   19   6.68 +/- 1.54   7.927% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          HB3   GLU-  25 - QD1   ILE   19  11.30 +/- 1.76   1.652% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QD1   ILE   19  17.29 +/- 3.47   2.628% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - QD1   ILE   19  13.06 +/- 1.81   1.034% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD1   ILE   19  12.61 +/- 2.49   1.330% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  19.62 +/- 2.21   0.293% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.52 +/- 2.48   0.358% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.99 +/- 3.16   0.176% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.26, residual support = 170.0:
    * O T HG12  ILE   19 - QD1   ILE   19   2.14 +/- 0.01  75.106% * 97.8860% (1.00  10.0 10.00   4.26 170.05) =  99.947%  kept
        T HG    LEU   73 - QD1   ILE   19   6.36 +/- 2.12   6.325% *  0.3339% (0.34   1.0 10.00   0.02   5.82) =   0.029%
          HB3   LYS+  74 - QD1   ILE   19   8.18 +/- 2.92  12.921% *  0.0554% (0.57   1.0  1.00   0.02   8.14) =   0.010%
        T HG    LEU   80 - QD1   ILE   19  14.48 +/- 5.97   0.558% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.007%
        T QB    LEU   98 - QD1   ILE   19  11.95 +/- 2.85   0.717% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   67 - QD1   ILE   19  10.36 +/- 2.06   1.488% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD1   ILE   19   9.92 +/- 1.85   1.077% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   ILE   19  14.38 +/- 5.09   0.587% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QD1   ILE   19  11.82 +/- 2.11   0.647% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.21 +/- 4.02   0.254% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  18.87 +/- 2.58   0.128% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.81 +/- 3.71   0.192% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.16, residual support = 169.9:
    * O T HG13  ILE   19 - QD1   ILE   19   2.14 +/- 0.01  68.882% * 98.6077% (1.00  10.0 10.00   4.17 170.05) =  99.909%  kept
        T HG    LEU   71 - QD1   ILE   19   7.45 +/- 3.86   4.697% *  0.8843% (0.90   1.0 10.00   0.02   0.82) =   0.061%
          HG2   LYS+  74 - QD1   ILE   19   9.47 +/- 2.92  13.836% *  0.0910% (0.92   1.0  1.00   0.02   8.14) =   0.019%
          QG2   THR   39 - QD1   ILE   19   7.37 +/- 3.31   7.267% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.009%
          QB    ALA   34 - QD1   ILE   19   6.57 +/- 1.58   3.889% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QD1   ILE   19  12.40 +/- 2.48   0.500% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.66 +/- 2.97   0.272% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  14.48 +/- 2.32   0.329% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  17.78 +/- 1.72   0.131% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  17.78 +/- 2.50   0.139% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  23.66 +/- 2.96   0.060% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 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  97.809% * 99.6998% (1.00  10.0 10.00   2.31  15.21) =  99.999%  kept
          HG13  ILE  119 - HA    ALA   20  18.34 +/- 3.77   0.411% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ALA   20  13.55 +/- 1.04   0.398% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.93 +/- 4.73   0.844% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  16.12 +/- 1.39   0.244% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  22.16 +/- 4.83   0.160% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  21.27 +/- 3.45   0.134% *  0.0135% (0.14   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 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  97.530% * 99.9427% (1.00  10.0 10.00   2.31  15.21) =  99.999%  kept
          HA    LEU   71 - QB    ALA   20  10.25 +/- 2.60   1.292% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  18.78 +/- 4.88   1.178% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.78, residual support = 30.3:
    * O T HB2   CYS   21 - HA    CYS   21   2.54 +/- 0.18  98.765% * 99.9059% (1.00  10.0 10.00   2.78  30.26) =  99.999%  kept
          HB2   PHE   45 - HA    CYS   21  15.28 +/- 3.32   0.966% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  23.89 +/- 4.42   0.270% *  0.0566% (0.57   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 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.79, residual support = 30.3:
    * O T HB3   CYS   21 - HA    CYS   21   2.73 +/- 0.27  96.688% * 99.9348% (0.69  10.0 10.00   2.79  30.26) =  99.998%  kept
          HG2   MET   96 - HA    CYS   21  16.75 +/- 3.82   3.312% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (3.08, 3.08, 28.30 ppm):
    1 diagonal assignment:
    *     HB2   CYS   21 - HB2   CYS   21  (1.00)  kept
 
    Peak 119 (2.60, 3.08, 28.30 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.7, residual support = 30.3:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  97.930% * 99.9348% (0.69  10.0 10.00   2.70  30.26) =  99.999%  kept
          HG2   MET   96 - HB2   CYS   21  15.43 +/- 4.06   2.070% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.7, residual support = 30.3:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.568% * 99.9059% (0.69  10.0 10.00   2.70  30.26) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  14.00 +/- 3.36   0.338% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  22.53 +/- 4.41   0.094% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.3:
    * O T HB2   HIS   22 - HA    HIS   22   2.44 +/- 0.15  93.173% * 99.8331% (0.76  10.0 10.00   2.32  35.30) =  99.993%  kept
          HA    LEU   63 - HA    HIS   22  16.64 +/- 5.06   4.321% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.006%
          HA2   GLY  101 - HA    HIS   22  22.52 +/- 6.25   2.505% *  0.0425% (0.32   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 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.3:
    * O T HB3   HIS   22 - HA    HIS   22   2.81 +/- 0.28  99.568% * 99.9165% (0.95  10.0 10.00   3.46  35.30) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  21.54 +/- 5.15   0.432% *  0.0835% (0.79   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 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.3:
    * O T HA    HIS   22 - HB2   HIS   22   2.44 +/- 0.15  99.287% * 99.7956% (0.76  10.0 10.00   2.32  35.30) =  99.999%  kept
          HA    VAL   43 - HB2   HIS   22  15.15 +/- 3.16   0.551% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB2   HIS   22  21.49 +/- 1.93   0.162% *  0.1046% (0.79   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 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 35.3:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00  99.863% * 99.9165% (0.80  10.0 10.00   4.26  35.30) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  22.31 +/- 5.78   0.137% *  0.0835% (0.67   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 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 35.3:
    * O T HA    HIS   22 - HB3   HIS   22   2.81 +/- 0.28  98.847% * 99.7956% (0.95  10.0 10.00   3.46  35.30) =  99.999%  kept
          HA    VAL   43 - HB3   HIS   22  15.08 +/- 3.01   0.890% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB3   HIS   22  21.07 +/- 1.97   0.262% *  0.1046% (0.99   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 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 35.3:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00  98.551% * 99.8331% (0.80  10.0 10.00   4.26  35.30) =  99.999%  kept
          HA    LEU   63 - HB3   HIS   22  17.91 +/- 5.10   0.760% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HB3   HIS   22  23.25 +/- 6.60   0.689% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.36, residual support = 19.1:
    * O T QG2   THR   23 - HA    THR   23   2.42 +/- 0.32  96.842% * 99.3383% (0.80  10.0 10.00   3.36  19.14) =  99.997%  kept
        T QG2   THR   39 - HA    THR   23  16.40 +/- 2.27   0.440% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HA    THR   23  19.41 +/- 3.15   0.352% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    THR   23  13.18 +/- 0.78   0.707% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    THR   23  13.03 +/- 1.97   1.183% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  17.58 +/- 2.90   0.338% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  22.73 +/- 2.31   0.138% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.637, support = 3.36, residual support = 19.1:
    * O T HA    THR   23 - QG2   THR   23   2.42 +/- 0.32  41.505% * 73.9129% (0.80  10.0 10.00   3.36  19.14) =  68.741%  kept
      O   HB    THR   23 - QG2   THR   23   2.16 +/- 0.02  54.349% * 25.6645% (0.28  10.0  1.00   3.36  19.14) =  31.255%  kept
          HA    LEU   80 - QG2   THR   23  12.37 +/- 5.77   1.792% *  0.0379% (0.41   1.0  1.00   0.02   0.65) =   0.002%
          HA    ASP-  78 - QG2   THR   23  14.22 +/- 3.24   0.320% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QG2   THR   39  16.40 +/- 2.27   0.156% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QB    ALA   91  12.06 +/- 3.79   1.016% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  19.41 +/- 3.15   0.103% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  19.86 +/- 2.74   0.100% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  13.01 +/- 1.47   0.282% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  18.32 +/- 3.06   0.132% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  16.17 +/- 2.41   0.161% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  20.34 +/- 2.71   0.083% *  0.0027% (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 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 65.0:
    * O T QG1   VAL   24 - HA    VAL   24   2.92 +/- 0.44  95.657% * 99.7332% (1.00  10.0 10.00   3.42  65.04) =  99.998%  kept
          HB3   LEU   31 - HA    VAL   24  10.03 +/- 0.54   2.801% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    VAL   24  17.88 +/- 2.26   0.570% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  20.96 +/- 4.48   0.709% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  23.62 +/- 4.42   0.263% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.15 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 65.0:
    * O T HA    VAL   24 - QG1   VAL   24   2.92 +/- 0.44  94.393% * 99.8757% (1.00  10.0 10.00   3.42  65.04) =  99.998%  kept
          HD2   PRO   68 - QG1   VAL   24  18.07 +/- 4.64   3.333% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG1   VAL   24  16.65 +/- 1.42   0.633% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  14.34 +/- 3.41   1.641% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.25, residual support = 127.4:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.97 +/- 0.06  93.236% * 99.2829% (1.00  10.0 10.00   5.25 127.45) =  99.993%  kept
        T HB2   GLU-  25 - HA    SER   82  20.28 +/- 8.10   0.926% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLN   17 - HA    GLU-  25  16.53 +/- 3.48   1.595% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    GLU-  25  18.70 +/- 3.27   0.669% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLU-  25  18.78 +/- 3.40   0.494% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  14.16 +/- 1.69   1.054% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  19.74 +/- 1.85   0.366% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  21.27 +/- 5.34   0.693% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  23.14 +/- 4.70   0.355% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  22.81 +/- 2.11   0.225% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  24.29 +/- 3.67   0.259% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  28.38 +/- 3.88   0.129% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.72 +/- 0.14  90.530% * 98.0202% (1.00  10.0 10.00   5.00 127.45) =  99.982%  kept
        T HB    ILE   19 - HA    GLU-  25  12.43 +/- 1.46   1.233% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.010%
        T HB3   GLU-  25 - HA    SER   82  19.75 +/- 8.47   0.868% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - HA    GLU-  25  17.93 +/- 3.83   1.028% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HA    SER   82  21.09 +/- 5.18   0.294% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU-  25  17.94 +/- 3.68   0.729% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  25   9.83 +/- 0.89   2.301% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU-  25  22.98 +/- 5.59   0.811% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    GLU-  25  22.79 +/- 5.36   0.664% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.67 +/- 3.05   0.131% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  29.83 +/- 4.17   0.094% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  20.80 +/- 2.66   0.254% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  25.64 +/- 5.09   0.181% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  25.80 +/- 4.98   0.178% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  23.53 +/- 3.37   0.182% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  20.94 +/- 5.25   0.313% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  27.74 +/- 2.84   0.107% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  28.15 +/- 2.86   0.100% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.26 +/- 0.16  97.092% * 99.4877% (1.00  10.0 10.00   4.31 127.45) =  99.997%  kept
        T HG2   GLU-  25 - HA    SER   82  19.90 +/- 8.74   0.744% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   87 - HA    SER   82   9.81 +/- 0.34   1.260% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  20.03 +/- 5.21   0.276% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  21.26 +/- 1.76   0.129% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  28.54 +/- 4.76   0.075% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  17.93 +/- 1.36   0.211% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  28.08 +/- 4.61   0.078% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  27.00 +/- 2.67   0.064% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  26.40 +/- 2.82   0.070% *  0.0090% (0.09   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 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   3.46 +/- 0.10  84.450% * 99.2510% (1.00  10.0 10.00   3.73 127.45) =  99.989%  kept
        T HG3   GLU-  25 - HA    SER   82  20.69 +/- 8.75   1.659% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.006%
          HB2   GLU-  79 - HA    SER   82   9.42 +/- 1.52   6.902% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HA    GLU-  25  16.06 +/- 5.15   1.691% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU-  25  25.82 +/- 5.43   0.450% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HA    GLU-  25  17.20 +/- 1.73   0.769% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  15.76 +/- 3.16   1.321% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  20.46 +/- 3.73   0.547% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  23.58 +/- 5.32   0.597% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  24.89 +/- 2.68   0.268% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  25.05 +/- 3.51   0.288% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  19.95 +/- 2.52   0.526% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  28.42 +/- 5.48   0.251% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  25.12 +/- 3.00   0.283% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.21 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 127.4:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.97 +/- 0.06  96.560% * 99.2383% (1.00  10.0 10.00   5.25 127.45) =  99.992%  kept
        T HA    SER   82 - HB2   GLU-  25  20.28 +/- 8.10   0.959% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    ILE   19 - HB2   GLU-  25  12.64 +/- 2.29   2.168% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - HB2   GLU-  25  24.98 +/- 4.32   0.313% *  0.0682% (0.69   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 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 = 5.25, residual support = 127.4:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  97.831% * 97.2368% (1.00  10.0 10.00   5.25 127.45) =  99.990%  kept
        T HB2   GLN   17 - HB2   GLU-  25  17.33 +/- 4.10   0.703% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.007%
        T QB    GLU-  15 - HB2   GLU-  25  17.60 +/- 3.90   0.232% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   68 - HB2   GLU-  25  23.22 +/- 4.82   0.096% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HB2   GLU-  25  12.33 +/- 1.52   0.349% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU-  25   9.95 +/- 1.01   0.626% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  23.53 +/- 4.95   0.110% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.67 +/- 2.99   0.032% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  30.84 +/- 4.22   0.022% *  0.0872% (0.90   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 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 127.5:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.81 +/- 0.17  99.203% * 99.8559% (1.00  10.0 10.00   4.56 127.45) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  21.68 +/- 4.71   0.304% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  22.47 +/- 1.62   0.207% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  29.20 +/- 5.18   0.142% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  28.74 +/- 4.97   0.143% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 127.4:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.53 +/- 0.22  98.365% * 99.6757% (1.00  10.0 10.00   3.98 127.45) =  99.999%  kept
          HB2   GLU-  79 - HB2   GLU-  25  16.64 +/- 5.21   0.616% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.93 +/- 2.01   0.330% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  26.43 +/- 5.40   0.152% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  23.93 +/- 5.78   0.285% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  25.89 +/- 3.42   0.151% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  25.90 +/- 2.71   0.102% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.72 +/- 0.14  97.518% * 98.4268% (1.00  10.0 10.00   5.00 127.45) =  99.982%  kept
        T HA    ILE   19 - HB3   GLU-  25  13.35 +/- 2.27   1.258% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.012%
        T HA    SER   82 - HB3   GLU-  25  19.75 +/- 8.47   0.935% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    CYS   53 - HB3   GLU-  25  25.11 +/- 4.45   0.288% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 127.4:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00  98.816% * 98.0062% (1.00  10.0 10.00   5.25 127.45) =  99.991%  kept
        T QG    GLN   17 - HB3   GLU-  25  16.66 +/- 3.92   0.781% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.008%
        T HB    VAL   70 - HB3   GLU-  25  20.04 +/- 2.87   0.091% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU-  25  20.28 +/- 3.40   0.084% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.94 +/- 5.95   0.170% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  21.61 +/- 1.82   0.059% *  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   2.90 +/- 0.14  99.006% * 99.8559% (1.00  10.0 10.00   4.44 127.45) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  21.48 +/- 4.97   0.420% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  22.58 +/- 1.63   0.232% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  29.36 +/- 5.16   0.166% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  28.91 +/- 4.95   0.176% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.4:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.50 +/- 0.20  98.134% * 99.2075% (1.00  10.0 10.00   3.86 127.45) =  99.998%  kept
        T QG    GLU- 114 - HB3   GLU-  25  25.94 +/- 2.72   0.115% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB3   GLU-  25  16.40 +/- 5.55   0.872% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HB3   GLU-  25  26.48 +/- 5.61   0.173% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  18.73 +/- 1.89   0.263% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  24.21 +/- 5.66   0.319% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  25.81 +/- 3.80   0.125% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.26 +/- 0.16  98.554% * 99.2383% (1.00  10.0 10.00   4.31 127.45) =  99.995%  kept
        T HA    SER   82 - HG2   GLU-  25  19.90 +/- 8.74   0.755% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   19 - HG2   GLU-  25  14.62 +/- 2.11   0.513% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  25.74 +/- 4.63   0.178% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 127.4:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.81 +/- 0.17  97.300% * 99.7000% (1.00  10.0 10.00   4.56 127.45) =  99.998%  kept
          QG    GLN   17 - HG2   GLU-  25  17.77 +/- 3.64   1.094% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   GLU-  25  20.37 +/- 3.44   0.479% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  20.46 +/- 3.31   0.307% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  22.78 +/- 5.70   0.559% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  21.15 +/- 2.05   0.261% *  0.0340% (0.34   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 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.4:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.90 +/- 0.14  93.942% * 99.4104% (1.00  10.0 10.00   4.44 127.45) =  99.996%  kept
          HB2   GLN   17 - HG2   GLU-  25  19.30 +/- 3.87   1.058% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HG2   GLU-  25  14.06 +/- 1.35   0.903% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG2   GLU-  25  19.13 +/- 3.74   0.613% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG2   GLU-  25  24.37 +/- 6.03   0.767% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU-  25  11.43 +/- 0.99   1.795% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  24.09 +/- 5.89   0.672% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  26.96 +/- 3.20   0.145% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  31.21 +/- 4.43   0.105% *  0.0892% (0.90   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 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  99.502% * 99.6757% (1.00  10.0 10.00   3.31 127.45) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  17.27 +/- 5.00   0.185% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  27.02 +/- 5.59   0.063% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  18.26 +/- 2.02   0.098% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  24.98 +/- 5.78   0.077% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  26.20 +/- 2.91   0.035% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  26.31 +/- 3.40   0.039% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.4:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.46 +/- 0.10  95.967% * 98.4268% (1.00  10.0 10.00   3.73 127.45) =  99.972%  kept
        T HA    ILE   19 - HG3   GLU-  25  15.04 +/- 2.22   1.645% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.016%
        T HA    SER   82 - HG3   GLU-  25  20.69 +/- 8.75   1.881% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.012%
          HA    CYS   53 - HG3   GLU-  25  26.48 +/- 4.64   0.507% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.14 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 127.4:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.53 +/- 0.22  98.147% * 99.7000% (1.00  10.0 10.00   3.98 127.45) =  99.999%  kept
          QG    GLN   17 - HG3   GLU-  25  18.08 +/- 3.93   0.876% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG3   GLU-  25  21.40 +/- 3.25   0.283% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  21.64 +/- 3.30   0.187% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  23.99 +/- 6.03   0.344% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  22.32 +/- 1.98   0.163% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.07 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   2.50 +/- 0.20  96.199% * 98.6730% (1.00  10.0 10.00   3.86 127.45) =  99.997%  kept
          HB2   GLN   17 - HG3   GLU-  25  19.65 +/- 4.13   1.049% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLU- 114 - HG3   GLU-  25  27.83 +/- 3.20   0.093% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG3   GLU-  25  19.51 +/- 3.99   0.490% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  14.66 +/- 1.44   0.559% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   GLU-  25  12.18 +/- 1.00   0.967% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  25.23 +/- 5.88   0.297% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  24.90 +/- 5.81   0.278% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  32.12 +/- 4.49   0.067% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00  99.825% * 99.8559% (1.00  10.0 10.00   3.31 127.45) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  22.66 +/- 5.06   0.070% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  24.03 +/- 1.80   0.042% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  30.71 +/- 5.39   0.031% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  30.28 +/- 5.20   0.032% *  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 = 3.23, residual support = 34.7:
    * O T HB    THR   26 - HA    THR   26   3.04 +/- 0.02  98.191% * 99.8279% (1.00  10.0 10.00   3.23  34.67) =  99.998%  kept
          HA    ASP-  62 - HA    THR   26  18.76 +/- 4.71   1.645% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER  117 - HA    THR   26  28.33 +/- 4.28   0.165% *  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 = 3.23, residual support = 34.7:
    * O T QG2   THR   26 - HA    THR   26   2.58 +/- 0.09  94.646% * 99.3101% (1.00  10.0 10.00   3.23  34.67) =  99.995%  kept
          HG2   LYS+  65 - HA    THR   26  17.69 +/- 4.72   1.828% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU   40 - HA    THR   26  17.40 +/- 2.23   0.400% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    THR   26  12.48 +/- 2.70   1.192% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HA    THR   26  18.70 +/- 4.93   0.742% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    THR   26  24.58 +/- 5.49   0.224% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.40 +/- 4.46   0.414% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  25.19 +/- 5.37   0.166% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  23.42 +/- 4.41   0.232% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  25.14 +/- 3.95   0.156% *  0.0134% (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 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 34.7:
    * O T HA    THR   26 - HB    THR   26   3.04 +/- 0.02  75.714% * 99.6617% (1.00  10.0 10.00   3.23  34.67) =  99.990%  kept
          HA    ILE   19 - HB    THR   26   8.31 +/- 2.35  16.696% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          HA    ASN   28 - HB    THR   26   7.73 +/- 0.10   4.588% *  0.0308% (0.31   1.0  1.00   0.02   0.42) =   0.002%
          HA1   GLY  101 - HB    THR   26  20.18 +/- 6.12   1.473% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HB    THR   26  13.55 +/- 1.25   0.942% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    THR   26  22.26 +/- 3.89   0.288% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  27.97 +/- 3.32   0.112% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  23.97 +/- 3.24   0.187% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.53 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.7:
    * O T QG2   THR   26 - HB    THR   26   2.15 +/- 0.01  95.795% * 99.4369% (1.00  10.0 10.00   3.00  34.67) =  99.997%  kept
          HB2   LYS+  74 - HB    THR   26  10.41 +/- 3.30   1.822% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HB    THR   26  16.15 +/- 4.23   0.965% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB    THR   26  17.83 +/- 4.46   0.476% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  22.72 +/- 4.21   0.138% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  24.01 +/- 5.19   0.125% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.84 +/- 2.08   0.200% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  21.46 +/- 4.63   0.275% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  24.63 +/- 5.06   0.105% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  23.75 +/- 3.96   0.100% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.23, residual support = 34.6:
    * O T HA    THR   26 - QG2   THR   26   2.58 +/- 0.09  67.497% * 98.4771% (1.00  10.0 10.00   3.23  34.67) =  99.928%  kept
          HA    ILE   19 - QG2   THR   26   5.77 +/- 2.03  25.379% *  0.1706% (0.25   1.0  1.00   0.14   0.02) =   0.065%
          HA    ASN   28 - QG2   THR   26   6.50 +/- 0.10   4.260% *  0.0304% (0.31   1.0  1.00   0.02   0.42) =   0.002%
        T HA    GLU- 114 - QG2   THR   26  23.28 +/- 3.09   0.114% *  0.8225% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QG2   THR   26   9.82 +/- 1.23   1.453% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - QG2   THR   26  19.89 +/- 2.98   0.200% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QG2   THR   26  16.31 +/- 4.75   0.807% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QG2   THR   26  18.74 +/- 3.29   0.290% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.7:
    * O T HB    THR   26 - QG2   THR   26   2.15 +/- 0.01  97.581% * 99.1149% (1.00  10.0 10.00   3.00  34.67) =  99.997%  kept
          HA    ASP-  62 - QG2   THR   26  14.06 +/- 3.77   2.286% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER  117 - QG2   THR   26  22.55 +/- 3.80   0.133% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.80 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 = 101.0:
    * O T HB2   TRP   27 - HA    TRP   27   2.87 +/- 0.07  98.612% * 99.8554% (1.00  10.0 10.00   4.44 100.96) =  99.999%  kept
          HA    THR   77 - HA    TRP   27  14.70 +/- 3.29   1.116% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   93 - HA    TRP   27  21.40 +/- 2.16   0.272% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 101.0:
    * O T HB3   TRP   27 - HA    TRP   27   2.22 +/- 0.03  96.891% * 99.7166% (1.00  10.0 10.00   4.44 100.96) =  99.998%  kept
          HB3   PHE   60 - HA    TRP   27  15.23 +/- 3.70   1.686% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    TRP   27  16.84 +/- 2.13   0.268% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  14.97 +/- 2.69   0.412% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  18.29 +/- 2.40   0.216% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  14.80 +/- 2.58   0.527% *  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 = 101.0:
    * O T HA    TRP   27 - HB2   TRP   27   2.87 +/- 0.07  99.038% * 99.7755% (1.00  10.0 10.00   4.44 100.96) =  99.999%  kept
          HA    ALA   91 - HB2   TRP   27  21.42 +/- 3.42   0.306% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  20.91 +/- 2.17   0.281% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  22.75 +/- 4.29   0.375% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 101.0:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  98.431% * 99.7166% (1.00  10.0 10.00   4.97 100.96) =  99.999%  kept
          HB3   PHE   60 - HB2   TRP   27  15.60 +/- 4.07   0.851% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   TRP   27  17.25 +/- 2.78   0.159% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  16.03 +/- 3.04   0.213% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  18.14 +/- 3.04   0.132% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  16.56 +/- 2.85   0.213% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 101.0:
    * O T HA    TRP   27 - HB3   TRP   27   2.22 +/- 0.03  99.514% * 99.7755% (1.00  10.0 10.00   4.44 100.96) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  20.77 +/- 3.09   0.150% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  19.91 +/- 1.98   0.153% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  21.87 +/- 3.87   0.183% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.0:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.526% * 99.8554% (1.00  10.0 10.00   4.97 100.96) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  13.04 +/- 3.29   0.396% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  19.93 +/- 2.26   0.078% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 94.8:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.02  88.399% * 99.2152% (1.00  10.0 10.00   4.50  94.83) =  99.980%  kept
        T HB2   ASN   35 - HA    ASN   28  10.93 +/- 1.22   2.167% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.011%
          QE    LYS+  33 - HA    ASN   28   8.99 +/- 1.09   4.123% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HA    ASN   28  15.77 +/- 6.74   2.154% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - HA    ASN   28  17.04 +/- 4.02   1.417% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    ASN   28  18.52 +/- 3.02   0.567% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  14.87 +/- 2.91   1.173% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 94.3:
    * O T HB3   ASN   28 - HA    ASN   28   2.58 +/- 0.10  92.420% * 87.5493% (1.00  10.0 10.00   4.19  94.83) =  99.322%  kept
          HG2   GLN   30 - HA    ASN   28   7.16 +/- 0.26   4.448% * 12.3961% (0.92   1.0  1.00   3.07  19.60) =   0.677%  kept
          QE    LYS+ 121 - HA    ASN   28  19.67 +/- 5.65   1.732% *  0.0393% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASN   28  20.80 +/- 6.47   1.400% *  0.0153% (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 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.47, residual support = 93.9:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.02  60.536% * 92.9291% (1.00  10.0 10.00   4.50  94.83) =  98.845%  kept
          HA    ALA   34 - HB2   ASN   35   6.17 +/- 0.35   7.579% *  4.4599% (0.29   1.0  1.00   3.26  21.26) =   0.594%  kept
          HA    THR   26 - HB2   ASN   28   4.66 +/- 0.30  17.582% *  1.7629% (0.31   1.0  1.00   1.23   0.42) =   0.545%  kept
        T HA    ASN   28 - HB2   ASN   35  10.93 +/- 1.22   1.485% *  0.2891% (0.31   1.0 10.00   0.02   0.02) =   0.008%
          HA    ARG+  54 - HB2   ASN   28  25.03 +/- 5.45   2.900% *  0.0601% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HB2   ASN   28  11.95 +/- 0.57   1.033% *  0.0879% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HB2   ASN   28  17.45 +/- 6.24   1.166% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HB2   ASN   35  14.62 +/- 6.21   3.672% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB2   ASN   35  26.92 +/-10.19   2.046% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB2   ASN   28  28.55 +/- 7.45   0.287% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  24.83 +/- 3.30   0.141% *  0.0927% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  19.55 +/- 6.06   0.460% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  14.17 +/- 0.61   0.615% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.57 +/- 3.34   0.087% *  0.0601% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  26.62 +/- 3.78   0.116% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  29.23 +/- 3.90   0.091% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  30.05 +/- 4.16   0.078% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  26.31 +/- 4.55   0.125% *  0.0051% (0.05   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 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 94.8:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  97.444% * 99.4888% (1.00  10.0 10.00   5.45  94.83) =  99.997%  kept
        T HB3   ASN   28 - HB2   ASN   35  11.38 +/- 1.20   0.393% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HB2   ASN   28   7.86 +/- 0.47   1.132% *  0.0918% (0.92   1.0  1.00   0.02  19.60) =   0.001%
          HG2   GLN   30 - HB2   ASN   35  11.76 +/- 1.01   0.347% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  21.65 +/- 5.55   0.214% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  22.82 +/- 6.42   0.189% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  20.94 +/- 6.43   0.166% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  23.25 +/- 6.91   0.116% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.19, residual support = 94.7:
    * O T HA    ASN   28 - HB3   ASN   28   2.58 +/- 0.10  87.010% * 98.2479% (1.00  10.0 10.00   4.19  94.83) =  99.893%  kept
          HA    THR   26 - HB3   ASN   28   6.17 +/- 0.32   6.811% *  1.2864% (0.31   1.0  1.00   0.85   0.42) =   0.102%  kept
          HA    ARG+  54 - HB3   ASN   28  25.43 +/- 5.46   3.086% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB3   ASN   28  11.46 +/- 0.41   1.009% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB3   ASN   28  16.62 +/- 6.26   1.122% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB3   ASN   28  28.44 +/- 7.67   0.373% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  24.75 +/- 3.38   0.133% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  19.86 +/- 6.18   0.374% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  28.41 +/- 3.47   0.082% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 94.8:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  97.965% * 99.2152% (1.00  10.0 10.00   5.45  94.83) =  99.997%  kept
        T HB2   ASN   35 - HB3   ASN   28  11.38 +/- 1.20   0.395% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   ASN   28   9.63 +/- 1.37   0.751% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HB3   ASN   28  17.14 +/- 7.36   0.375% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  18.72 +/- 4.58   0.273% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  20.08 +/- 3.14   0.087% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  16.71 +/- 2.99   0.155% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.997, support = 4.94, residual support = 92.5:
    * O T HB2   GLU-  29 - HA    GLU-  29   3.00 +/- 0.10  68.404% * 98.3644% (1.00  10.0 10.00   4.94  92.52) =  99.960%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.39 +/- 1.11   3.653% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.015%
        T HB2   GLU-  29 - HA    GLN   32   7.99 +/- 0.36   3.689% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   PHE   72 - HA    GLU-  29  13.72 +/- 2.30   1.107% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   PHE   72 - HA    LYS+  33  12.97 +/- 2.39   1.287% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - HA    GLU-  29  14.08 +/- 4.33   3.240% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HA    GLU-  29  14.38 +/- 3.97   2.350% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLU-  29  17.95 +/- 4.39   0.548% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  18.58 +/- 2.82   0.404% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  14.93 +/- 5.28   2.153% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  24.50 +/- 4.22   0.197% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  13.07 +/- 3.26   1.803% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  15.51 +/- 5.78   1.349% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  12.29 +/- 3.56   2.556% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.84 +/- 2.73   0.194% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  13.35 +/- 2.73   1.350% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  27.53 +/- 2.98   0.108% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  17.76 +/- 1.62   0.364% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.13 +/- 3.38   1.183% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  23.33 +/- 3.25   0.176% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  22.22 +/- 3.38   0.284% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  21.22 +/- 3.21   0.427% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  24.84 +/- 4.56   0.210% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  14.66 +/- 3.21   0.998% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  21.24 +/- 3.12   0.244% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  24.32 +/- 4.27   0.199% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.41 +/- 2.97   0.337% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.33 +/- 2.90   0.095% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  28.15 +/- 3.35   0.114% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.52 +/- 1.31   0.313% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.07 +/- 1.74   0.359% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  23.67 +/- 3.41   0.174% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  25.01 +/- 2.23   0.130% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.25 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.86, support = 5.2, residual support = 91.4:
      O   HB3   GLU-  29 - HA    GLU-  29   2.62 +/- 0.08  37.620% * 43.8587% (0.80  10.0  1.00   5.22  92.52) =  63.749%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.46 +/- 0.19  16.549% * 54.7729% (1.00  10.0 10.00   5.25  92.52) =  35.021%  kept
          QB    GLU-  36 - HA    LYS+  33   3.02 +/- 0.93  32.198% *  0.9804% (0.13   1.0  1.00   2.68   0.02) =   1.220%  kept
        T HG3   GLU-  29 - HA    LYS+  33   9.62 +/- 1.26   0.855% *  0.1502% (0.27   1.0 10.00   0.02   0.02) =   0.005%
          QB    GLU-  36 - HA    GLU-  29   9.11 +/- 1.33   0.992% *  0.0267% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    LYS+  33   7.25 +/- 1.14   2.142% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    LYS+  33   8.68 +/- 1.10   2.151% *  0.0109% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    GLU-  29  13.81 +/- 1.64   0.448% *  0.0398% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   32   7.26 +/- 0.29   1.803% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLN   32   6.52 +/- 0.54   2.441% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   32   8.70 +/- 0.36   1.028% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32   9.92 +/- 1.34   1.259% *  0.0089% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  19.13 +/- 4.31   0.146% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  27.39 +/- 3.74   0.038% *  0.0518% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  22.02 +/- 3.93   0.134% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  21.02 +/- 4.17   0.131% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  27.85 +/- 3.72   0.036% *  0.0116% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  29.34 +/- 2.31   0.029% *  0.0142% (0.26   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 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.69, residual support = 92.5:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.42 +/- 0.50  89.359% * 99.0116% (1.00  10.0 10.00   4.69  92.52) =  99.980%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.66 +/- 1.29   3.213% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   GLU-  29 - HA    GLN   32   7.43 +/- 0.66   3.481% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.009%
          HB3   ASP-  86 - HA    GLU-  29  19.68 +/- 6.67   0.345% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  21.32 +/- 4.23   0.300% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  20.83 +/- 2.29   0.180% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  24.70 +/- 4.47   0.155% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  19.96 +/- 6.61   0.313% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  18.89 +/- 3.22   0.292% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  22.18 +/- 5.09   0.168% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  21.93 +/- 3.60   0.236% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.59 +/- 1.75   0.156% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  21.86 +/- 3.33   0.236% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.38 +/- 1.40   0.143% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  25.67 +/- 4.10   0.142% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.19 +/- 2.55   0.166% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  24.95 +/- 3.78   0.145% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  17.91 +/- 3.46   0.337% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  19.44 +/- 2.71   0.260% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.91 +/- 2.51   0.195% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.88 +/- 2.37   0.178% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 4.94, residual support = 92.4:
    * O T HA    GLU-  29 - HB2   GLU-  29   3.00 +/- 0.10  85.953% * 98.1508% (1.00  10.0 10.00   4.94  92.52) =  99.920%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.39 +/- 1.11   4.587% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.051%
        T HA    GLN   32 - HB2   GLU-  29   7.99 +/- 0.36   4.637% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.024%
          HA    VAL   18 - HB2   GLU-  29  12.91 +/- 2.62   2.326% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   SER   82 - HB2   GLU-  29  20.51 +/- 7.72   0.730% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLU-  29  16.11 +/- 2.02   0.675% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   GLU-  29  23.73 +/- 4.89   0.447% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  26.49 +/- 4.62   0.205% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  24.77 +/- 4.34   0.199% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  26.62 +/- 4.71   0.242% *  0.0274% (0.28   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 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.873, support = 4.52, residual support = 92.5:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  68.415% * 44.1051% (0.80  10.0  1.00   4.54  92.52) =  63.896%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.28 +/- 0.03  30.953% * 55.0806% (1.00  10.0 10.00   4.50  92.52) =  36.103%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  18.06 +/- 4.50   0.096% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  27.09 +/- 3.59   0.022% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29  10.46 +/- 1.56   0.392% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  15.55 +/- 1.58   0.121% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 92.5:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.88 +/- 0.10  97.484% * 99.6674% (1.00  10.0 10.00   4.15  92.52) =  99.998%  kept
          HB3   ASP-  86 - HB2   GLU-  29  19.96 +/- 6.28   0.603% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HB2   GLU-  29  20.55 +/- 4.72   0.670% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  20.48 +/- 2.28   0.314% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  24.17 +/- 4.78   0.312% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  19.34 +/- 3.08   0.430% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.63 +/- 1.66   0.187% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.69, residual support = 92.5:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.42 +/- 0.50  90.814% * 98.1508% (1.00  10.0 10.00   4.69  92.52) =  99.946%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.66 +/- 1.29   3.266% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.034%
        T HA    GLN   32 - HG2   GLU-  29   7.43 +/- 0.66   3.538% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.017%
          HA    VAL   18 - HG2   GLU-  29  15.09 +/- 2.58   0.959% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   GLU-  29  21.22 +/- 8.45   0.444% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.49 +/- 2.07   0.413% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  25.25 +/- 4.92   0.178% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  28.08 +/- 4.23   0.136% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  25.49 +/- 5.20   0.124% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.14 +/- 5.10   0.129% *  0.0274% (0.28   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 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 92.5:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.88 +/- 0.10  86.979% * 99.5124% (1.00  10.0 10.00   4.15  92.52) =  99.995%  kept
          QG    GLU-  14 - HG2   GLU-  29  14.55 +/- 5.15   7.050% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - HG2   GLU-  29  15.19 +/- 4.52   3.393% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HG2   GLU-  29  15.33 +/- 2.09   0.758% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  19.10 +/- 3.05   0.404% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  19.72 +/- 4.55   0.450% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  25.74 +/- 4.23   0.173% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  24.47 +/- 2.50   0.156% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  28.34 +/- 3.02   0.109% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  18.99 +/- 1.67   0.334% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  24.01 +/- 3.63   0.194% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.38 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.23, residual support = 92.5:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  78.284% * 55.3193% (1.00  10.0 10.00   4.19  92.52) =  82.311%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.78 +/- 0.21  21.007% * 44.2962% (0.80  10.0 10.00   4.41  92.52) =  17.687%  kept
        T QB    GLU-  36 - HG2   GLU-  29  10.62 +/- 1.64   0.425% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HG2   GLU-  29  15.78 +/- 1.85   0.171% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  19.55 +/- 4.75   0.088% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  28.12 +/- 4.20   0.024% *  0.0523% (0.95   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 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 = 0.947, support = 4.86, residual support = 158.4:
    * O T HB2   GLN   30 - HA    GLN   30   2.78 +/- 0.10  51.796% * 53.1933% (1.00  10.0 10.00   4.82 158.42) =  59.849%  kept
      O T HG3   GLN   30 - HA    GLN   30   3.08 +/- 0.48  40.056% * 46.1414% (0.87  10.0 10.00   4.91 158.42) =  40.148%  kept
          QB    GLU-  15 - HA    GLN   30  11.48 +/- 3.17   4.085% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   93 - HA    GLN   30  21.80 +/- 2.42   0.126% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLN   30  11.99 +/- 3.13   2.584% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    GLN   30  17.40 +/- 4.31   0.443% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    GLN   30  23.25 +/- 4.83   0.200% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.32 +/- 2.95   0.397% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  25.59 +/- 3.88   0.173% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.55 +/- 3.99   0.061% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  24.50 +/- 1.75   0.079% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.992, support = 5.21, residual support = 156.7:
    * O T HB3   GLN   30 - HA    GLN   30   2.94 +/- 0.07  62.100% * 97.5553% (1.00  10.0 10.00   5.26 158.42) =  98.894%  kept
          QB    LYS+  33 - HA    GLN   30   3.88 +/- 0.94  34.830% *  1.9393% (0.25   1.0  1.00   1.59   0.48) =   1.103%  kept
          HB3   LYS+  38 - HA    GLN   30  12.52 +/- 1.60   1.072% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - HA    GLN   30  21.47 +/- 4.31   0.310% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  22.13 +/- 3.13   0.185% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  20.10 +/- 4.38   0.314% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  25.23 +/- 2.32   0.117% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  18.83 +/- 1.74   0.257% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  19.82 +/- 4.11   0.305% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.78 +/- 2.86   0.290% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  25.56 +/- 2.73   0.106% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  25.46 +/- 3.45   0.113% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 157.9:
    * O T HG2   GLN   30 - HA    GLN   30   2.54 +/- 0.55  84.129% * 93.5467% (1.00  10.0 10.00   5.71 158.42) =  99.633%  kept
          HB3   ASN   28 - HA    GLN   30   7.52 +/- 0.12   4.488% *  6.3571% (0.92   1.0  1.00   1.47  19.60) =   0.361%  kept
          HB3   HIS  122 - HA    GLN   30  19.94 +/- 6.62   8.271% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 121 - HA    GLN   30  19.50 +/- 5.64   3.112% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.82, residual support = 158.4:
    * O T HA    GLN   30 - HB2   GLN   30   2.78 +/- 0.10  88.815% * 99.6678% (1.00  10.0 10.00   4.82 158.42) =  99.997%  kept
          HB    THR   39 - HB2   GLN   30   9.86 +/- 2.97   4.796% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB2   GLN   30  10.66 +/- 2.04   3.117% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB2   GLN   30  18.63 +/- 6.30   0.714% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  13.15 +/- 2.90   1.414% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.06 +/- 2.65   0.341% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  24.30 +/- 3.75   0.193% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  20.36 +/- 3.44   0.327% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  20.29 +/- 2.41   0.283% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.07, residual support = 158.4:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  95.316% * 98.9590% (1.00  10.0 10.00   5.07 158.42) =  99.998%  kept
          QB    LYS+  33 - HB2   GLN   30   5.75 +/- 0.79   3.538% *  0.0247% (0.25   1.0  1.00   0.02   0.48) =   0.001%
        T QB    LYS+ 106 - HB2   GLN   30  17.02 +/- 1.77   0.116% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  13.11 +/- 1.82   0.282% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  19.64 +/- 4.06   0.133% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  23.46 +/- 3.11   0.058% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  20.11 +/- 2.92   0.085% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  18.16 +/- 4.44   0.141% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.92 +/- 2.25   0.051% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.99 +/- 3.01   0.156% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  23.30 +/- 3.05   0.048% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  20.87 +/- 3.67   0.075% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 158.0:
    * O T HG2   GLN   30 - HB2   GLN   30   2.74 +/- 0.23  77.918% * 94.0207% (1.00  10.0 10.00   5.50 158.42) =  99.666%  kept
          HB3   ASN   28 - HB2   GLN   30   7.54 +/- 0.62   4.069% *  5.8827% (0.92   1.0  1.00   1.36  19.60) =   0.326%  kept
          HB3   HIS  122 - HB2   GLN   30  18.40 +/- 6.84  16.622% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          QE    LYS+ 121 - HB2   GLN   30  18.27 +/- 5.54   1.391% *  0.0646% (0.69   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 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 158.4:
    * O T HA    GLN   30 - HB3   GLN   30   2.94 +/- 0.07  90.047% * 99.5115% (1.00  10.0 10.00   5.26 158.42) =  99.996%  kept
          HB    THR   39 - HB3   GLN   30  10.21 +/- 2.57   3.404% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HB3   GLN   30  20.44 +/- 3.45   0.473% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB3   GLN   30  13.14 +/- 2.96   1.797% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB3   GLN   30  18.48 +/- 6.10   0.755% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  21.04 +/- 2.86   0.518% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30  11.05 +/- 1.97   2.445% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  24.25 +/- 4.14   0.257% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  20.36 +/- 2.39   0.305% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.973, support = 5.09, residual support = 158.4:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  75.683% * 53.1733% (1.00  10.0 10.00   5.07 158.42) =  79.376%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.68 +/- 0.24  22.669% * 46.1240% (0.87  10.0  1.00   5.16 158.42) =  20.623%  kept
        T HB2   ARG+  54 - HB3   GLN   30  23.53 +/- 3.78   0.082% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HB3   GLN   30  17.03 +/- 4.00   0.147% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  21.67 +/- 4.45   0.116% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  11.81 +/- 2.50   0.563% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  12.17 +/- 2.32   0.503% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  16.95 +/- 2.21   0.106% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  19.64 +/- 2.21   0.065% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  22.51 +/- 1.96   0.038% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  26.58 +/- 3.70   0.028% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 218 (1.89, 1.89, 28.09 ppm):
    1 diagonal assignment:
    *     HB3   GLN   30 - HB3   GLN   30  (1.00)  kept
 
    Peak 219 (2.73, 1.89, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.96, residual support = 157.8:
    * O T HG2   GLN   30 - HB3   GLN   30   2.77 +/- 0.27  85.005% * 93.5680% (1.00  10.0 10.00   5.98 158.42) =  99.540%  kept
          HB3   ASN   28 - HB3   GLN   30   6.92 +/- 0.40   5.752% *  6.3358% (0.92   1.0  1.00   1.47  19.60) =   0.456%  kept
          HB3   HIS  122 - HB3   GLN   30  18.64 +/- 6.40   7.764% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 121 - HB3   GLN   30  18.47 +/- 5.23   1.479% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 158.4:
    * O T HA    GLN   30 - HG2   GLN   30   2.54 +/- 0.55  91.196% * 99.6678% (1.00  10.0 10.00   5.71 158.42) =  99.997%  kept
          HB    THR   39 - HG2   GLN   30  10.56 +/- 3.37   3.475% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HG2   GLN   30  12.01 +/- 2.98   1.754% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG2   GLN   30  19.89 +/- 6.13   0.571% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  10.83 +/- 2.67   1.924% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  25.08 +/- 4.26   0.281% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  21.81 +/- 2.93   0.249% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  20.97 +/- 3.85   0.332% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  21.85 +/- 2.20   0.218% *  0.0154% (0.15   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 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.9, support = 6.22, residual support = 158.4:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  75.446% * 46.1414% (0.87  10.0 10.00   6.45 158.42) =  75.745%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.74 +/- 0.23  20.955% * 53.1933% (1.00  10.0 10.00   5.50 158.42) =  24.254%  kept
        T HB2   PRO   93 - HG2   GLN   30  20.69 +/- 2.53   0.055% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  10.66 +/- 2.85   1.712% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  11.12 +/- 2.90   1.301% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  22.26 +/- 4.97   0.155% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  18.37 +/- 4.22   0.124% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  16.78 +/- 2.80   0.137% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  27.60 +/- 4.24   0.028% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  24.19 +/- 3.67   0.054% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  23.96 +/- 1.90   0.031% *  0.0491% (0.92   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 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 158.4:
    * O T HB3   GLN   30 - HG2   GLN   30   2.77 +/- 0.27  78.238% * 99.4599% (1.00  10.0 10.00   5.98 158.42) =  99.992%  kept
          QB    LYS+  33 - HG2   GLN   30   5.61 +/- 1.19  18.433% *  0.0248% (0.25   1.0  1.00   0.02   0.48) =   0.006%
          HB3   LYS+  38 - HG2   GLN   30  14.07 +/- 1.90   0.770% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HG2   GLN   30  20.18 +/- 4.39   0.541% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG2   GLN   30  20.84 +/- 3.36   0.276% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  19.18 +/- 4.22   0.362% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  24.13 +/- 2.35   0.138% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  18.55 +/- 1.75   0.296% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  19.42 +/- 3.94   0.337% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.57 +/- 3.04   0.297% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  24.78 +/- 2.79   0.133% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  23.99 +/- 3.23   0.179% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.2:
    * O T HB2   LEU   31 - HA    LEU   31   3.00 +/- 0.02  81.179% * 99.2507% (1.00  10.0 10.00   6.00 231.20) =  99.984%  kept
          HG2   LYS+  38 - HA    LEU   31   9.63 +/- 1.67   6.174% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.006%
          HG2   LYS+  99 - HA    LEU   31  13.25 +/- 4.20   2.665% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA  124 - HA    LEU   31  20.85 +/- 7.02   2.507% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LEU   31  12.08 +/- 3.71   2.802% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    LEU   31  15.12 +/- 3.32   1.254% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   31  17.28 +/- 5.87   0.973% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LEU   31  14.45 +/- 1.63   0.857% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   31  16.79 +/- 3.16   0.624% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  18.39 +/- 3.02   0.455% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.27 +/- 2.81   0.387% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  27.39 +/- 3.32   0.123% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.2:
    * O T HB3   LEU   31 - HA    LEU   31   2.38 +/- 0.08  95.985% * 99.6763% (1.00  10.0 10.00   6.00 231.20) =  99.998%  kept
          QB    ALA   20 - HA    LEU   31  11.34 +/- 0.96   0.978% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    LEU   31  10.87 +/- 0.54   1.046% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  20.37 +/- 4.28   0.314% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  20.53 +/- 6.98   0.938% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  24.60 +/- 3.46   0.121% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.98 +/- 2.25   0.308% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.51 +/- 1.52   0.310% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 5.94, residual support = 228.5:
    * O T HG    LEU   31 - HA    LEU   31   2.96 +/- 0.48  55.001% * 93.9531% (0.80  10.0 10.00   6.00 231.20) =  98.834%  kept
          QD2   LEU   73 - HA    LEU   31   6.52 +/- 1.82  10.261% *  5.8342% (0.92   1.0  1.00   1.08   1.82) =   1.145%  kept
          QG1   VAL   41 - HA    LEU   31   4.91 +/- 2.59  32.898% *  0.0293% (0.25   1.0  1.00   0.02   0.02) =   0.018%
          HG3   LYS+ 121 - HA    LEU   31  20.19 +/- 6.52   1.358% *  0.0664% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    LEU   31  17.74 +/- 2.37   0.482% *  0.1171% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.43 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 = 231.2:
    *   T QD1   LEU   31 - HA    LEU   31   3.65 +/- 0.21 100.000% *100.0000% (1.00 10.00   4.85 231.20) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.25 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.1:
    *   T QD2   LEU   31 - HA    LEU   31   2.91 +/- 0.68  86.536% * 99.6345% (1.00 10.00   5.74 231.20) =  99.970%  kept
        T QG2   VAL   43 - HA    LEU   31   9.13 +/- 2.35   9.160% *  0.2484% (0.25 10.00   0.02   0.02) =   0.026%
          QG2   VAL   83 - HA    LEU   31  13.27 +/- 4.08   2.856% *  0.0723% (0.73  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HA    LEU   31  14.35 +/- 2.30   1.448% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 2.94 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 = 231.2:
    * O T HA    LEU   31 - HB2   LEU   31   3.00 +/- 0.02 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.20) = 100.000%  kept
    Distance limit 3.61 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 = 231.2:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  98.362% * 99.6763% (1.00  10.0 10.00   6.00 231.20) =  99.999%  kept
          QG1   VAL   24 - HB2   LEU   31   9.65 +/- 0.54   0.611% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.10 +/- 1.10   0.334% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  21.73 +/- 4.08   0.093% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  21.87 +/- 7.05   0.328% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  25.61 +/- 3.62   0.050% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.86 +/- 2.40   0.111% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.36 +/- 1.75   0.111% *  0.0135% (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 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 231.2:
    * O T HG    LEU   31 - HB2   LEU   31   2.72 +/- 0.29  83.451% * 99.6594% (0.80  10.0 10.00   6.01 231.20) =  99.988%  kept
          QD2   LEU   73 - HB2   LEU   31   7.74 +/- 1.80   5.230% *  0.1149% (0.92   1.0  1.00   0.02   1.82) =   0.007%
          QG1   VAL   41 - HB2   LEU   31   6.60 +/- 2.51  10.436% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - HB2   LEU   31  18.66 +/- 2.68   0.378% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   LEU   31  21.51 +/- 6.58   0.505% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.2:
    * O T QD1   LEU   31 - HB2   LEU   31   2.61 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.20) = 100.000%  kept
    Distance limit 3.34 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 = 231.2:
    * O T QD2   LEU   31 - HB2   LEU   31   2.61 +/- 0.53  92.653% * 99.6345% (1.00  10.0 10.00   5.75 231.20) =  99.986%  kept
        T QG2   VAL   43 - HB2   LEU   31   9.67 +/- 2.91   4.461% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.012%
          QG2   VAL   83 - HB2   LEU   31  13.11 +/- 4.97   2.006% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB2   LEU   31  14.55 +/- 3.21   0.880% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.2:
    * O T HA    LEU   31 - HB3   LEU   31   2.38 +/- 0.08 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.20) = 100.000%  kept
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.2:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  93.905% * 99.2507% (1.00  10.0 10.00   6.00 231.20) =  99.995%  kept
          HG2   LYS+  38 - HB3   LEU   31  10.38 +/- 2.26   2.437% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HB3   LEU   31  13.31 +/- 4.22   0.824% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB3   LEU   31  11.54 +/- 4.44   1.084% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB3   LEU   31  21.51 +/- 7.00   0.591% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  15.90 +/- 3.66   0.283% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  17.02 +/- 6.07   0.230% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  14.89 +/- 2.21   0.204% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  16.41 +/- 3.76   0.174% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  17.73 +/- 3.95   0.136% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.31 +/- 3.40   0.101% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  27.22 +/- 3.68   0.030% *  0.0984% (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 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 = 229.7:
    * O T HG    LEU   31 - HB3   LEU   31   2.84 +/- 0.17  68.229% * 92.5842% (0.80  10.0 10.00   6.01 231.20) =  99.362%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.39 +/- 1.81   5.912% *  6.6170% (0.92   1.0 10.00   0.12   1.82) =   0.615%  kept
        T HG3   LYS+ 121 - HB3   LEU   31  20.39 +/- 6.89   1.087% *  0.6546% (0.57   1.0 10.00   0.02   0.02) =   0.011%
          QG1   VAL   41 - HB3   LEU   31   5.46 +/- 2.56  24.241% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.011%
          QD1   ILE   56 - HB3   LEU   31  18.06 +/- 2.80   0.532% *  0.1154% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.2:
    * O T QD1   LEU   31 - HB3   LEU   31   2.10 +/- 0.15 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.20) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.1:
    * O T QD2   LEU   31 - HB3   LEU   31   2.85 +/- 0.32  87.610% * 99.6345% (1.00  10.0 10.00   5.75 231.20) =  99.973%  kept
        T QG2   VAL   43 - HB3   LEU   31   9.04 +/- 2.80   8.274% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.024%
          QG2   VAL   83 - HB3   LEU   31  12.86 +/- 4.61   2.838% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB3   LEU   31  13.99 +/- 3.09   1.278% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 6.0, residual support = 231.2:
    * O T HA    LEU   31 - HG    LEU   31   2.96 +/- 0.48 100.000% *100.0000% (0.80  10.0 10.00   6.00 231.20) = 100.000%  kept
    Distance limit 4.00 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 = 231.2:
    * O T HB2   LEU   31 - HG    LEU   31   2.72 +/- 0.29  85.680% * 99.2507% (0.80  10.0 10.00   6.01 231.20) =  99.989%  kept
          HG2   LYS+  38 - HG    LEU   31  11.98 +/- 2.12   2.749% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HG    LEU   31  11.69 +/- 3.96   3.714% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HG    LEU   31  15.49 +/- 6.39   1.463% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HG    LEU   31  14.80 +/- 3.74   1.545% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HG    LEU   31  13.65 +/- 2.41   1.164% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HG    LEU   31  14.05 +/- 3.44   1.064% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   31  21.32 +/- 6.15   0.648% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  15.49 +/- 3.92   0.865% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  17.44 +/- 3.81   0.529% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.34 +/- 3.16   0.462% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  26.52 +/- 3.52   0.118% *  0.0984% (0.79   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 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 231.2:
    * O T HB3   LEU   31 - HG    LEU   31   2.84 +/- 0.17  91.214% * 99.4283% (0.80  10.0 10.00   6.01 231.20) =  99.992%  kept
        T HG2   LYS+ 121 - HG    LEU   31  20.77 +/- 6.18   1.273% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   24 - HG    LEU   31   8.81 +/- 0.78   3.613% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HG    LEU   31  10.47 +/- 0.92   1.979% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HG    LEU   31  20.01 +/- 3.82   0.542% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG    LEU   31  23.86 +/- 3.59   0.269% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  16.59 +/- 2.00   0.551% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.02 +/- 1.59   0.560% *  0.0135% (0.11   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 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.98, residual support = 231.2:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.98 231.20) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.89, residual support = 231.2:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.02  92.346% * 99.6345% (0.80  10.0 10.00   5.89 231.20) =  99.983%  kept
        T QG2   VAL   43 - HG    LEU   31   8.18 +/- 3.06   5.591% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.015%
          QG2   VAL   83 - HG    LEU   31  11.86 +/- 4.74   1.483% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HG    LEU   31  13.31 +/- 3.12   0.580% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.2:
    *   T HA    LEU   31 - QD1   LEU   31   3.65 +/- 0.21 100.000% *100.0000% (1.00 10.00   4.85 231.20) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.1:
    * O T HB2   LEU   31 - QD1   LEU   31   2.61 +/- 0.16  73.134% * 99.2507% (1.00  10.0 10.00   4.86 231.20) =  99.976%  kept
          HG    LEU   98 - QD1   LEU   31   8.90 +/- 4.01  10.757% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.008%
          HG2   LYS+  38 - QD1   LEU   31  10.40 +/- 2.14   3.822% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QD1   LEU   31  12.64 +/- 5.34   2.379% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QD1   LEU   31  12.48 +/- 3.42   1.838% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD1   LEU   31  11.34 +/- 3.06   1.868% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD1   LEU   31  11.30 +/- 2.42   1.833% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - QD1   LEU   31  12.43 +/- 3.67   1.502% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   31  17.90 +/- 5.09   0.894% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD1   LEU   31  13.76 +/- 3.89   0.980% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   31  15.69 +/- 3.25   0.822% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  21.48 +/- 3.36   0.172% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.2:
    * O T HB3   LEU   31 - QD1   LEU   31   2.10 +/- 0.15  92.208% * 99.6763% (1.00  10.0 10.00   4.86 231.20) =  99.996%  kept
          QG1   VAL   24 - QD1   LEU   31   7.37 +/- 0.76   2.689% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   LEU   31   9.76 +/- 0.86   1.044% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   LEU   31  16.97 +/- 5.63   2.406% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - QD1   LEU   31  16.52 +/- 3.38   0.418% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  19.56 +/- 3.09   0.272% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  13.35 +/- 2.34   0.489% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.86 +/- 1.96   0.473% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.98, residual support = 231.0:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.02  76.494% * 99.0676% (0.80  10.0 10.00   4.98 231.20) =  99.934%  kept
          QD2   LEU   73 - QD1   LEU   31   5.55 +/- 1.57   6.218% *  0.7080% (0.92   1.0  1.00   0.12   1.82) =   0.058%
          QG1   VAL   41 - QD1   LEU   31   5.14 +/- 2.10  15.810% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.006%
          QD1   ILE   56 - QD1   LEU   31  14.13 +/- 2.68   0.654% *  0.1234% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD1   LEU   31  16.63 +/- 5.25   0.825% *  0.0700% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.62, residual support = 231.1:
    * O T QD2   LEU   31 - QD1   LEU   31   2.02 +/- 0.07  79.152% * 99.6345% (1.00  10.0 10.00   4.62 231.20) =  99.944%  kept
        T QG2   VAL   43 - QD1   LEU   31   6.41 +/- 2.94  16.885% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.053%
          QG2   VAL   83 - QD1   LEU   31   9.39 +/- 4.29   2.913% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - QD1   LEU   31  10.49 +/- 3.23   1.051% *  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 = 231.2:
    *   T HA    LEU   31 - QD2   LEU   31   2.91 +/- 0.68  90.407% * 99.9324% (1.00 10.00   5.74 231.20) =  99.993%  kept
        T HA    LEU   31 - QG2   VAL   43   9.13 +/- 2.35   9.593% *  0.0676% (0.07 10.00   0.02   0.02) =   0.007%
    Distance limit 3.04 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 = 1.0, support = 5.75, residual support = 231.1:
    * O T HB2   LEU   31 - QD2   LEU   31   2.61 +/- 0.53  47.585% * 98.7715% (1.00  10.0 10.00   5.75 231.20) =  99.962%  kept
          HG2   LYS+  38 - QD2   LEU   31  10.50 +/- 1.95   3.902% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   63 - QD2   LEU   31  12.00 +/- 3.38   2.961% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.006%
        T QB    ALA   84 - QD2   LEU   31  12.41 +/- 3.20   0.645% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   98 - QD2   LEU   31   9.82 +/- 3.42   4.687% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LEU   31 - QG2   VAL   43   9.67 +/- 2.91   2.305% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - QD2   LEU   31  12.18 +/- 2.95   1.830% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - QD2   LEU   31  12.29 +/- 5.37   1.116% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD2   LEU   31  17.81 +/- 5.20   1.568% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD2   LEU   31  10.98 +/- 1.59   0.898% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QG2   VAL   43   6.38 +/- 2.27  13.155% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QG2   VAL   43   6.23 +/- 0.47   4.356% *  0.0054% (0.05   1.0  1.00   0.02  16.39) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   8.04 +/- 2.76   3.397% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43   9.40 +/- 1.60   3.405% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  14.23 +/- 3.07   0.476% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.67 +/- 2.31   0.319% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  21.72 +/- 2.86   0.115% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   7.46 +/- 1.40   2.554% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   9.20 +/- 1.59   1.643% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  11.65 +/- 1.63   0.695% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43  10.05 +/- 1.54   1.332% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.19 +/- 1.42   0.451% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.46 +/- 3.08   0.372% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  16.61 +/- 2.28   0.235% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.2:
    * O T HB3   LEU   31 - QD2   LEU   31   2.85 +/- 0.32  65.975% * 99.5873% (1.00  10.0 10.00   5.75 231.20) =  99.983%  kept
        T HB3   LEU   31 - QG2   VAL   43   9.04 +/- 2.80   6.262% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   24 - QD2   LEU   31   6.83 +/- 0.84   6.512% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   20 - QD2   LEU   31   8.38 +/- 0.95   3.529% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - QD2   LEU   31  16.39 +/- 3.65   0.715% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD2   LEU   31  17.24 +/- 5.71   1.278% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - QD2   LEU   31  19.49 +/- 2.93   0.303% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   9.47 +/- 3.05   3.705% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  13.66 +/- 2.08   0.680% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  13.11 +/- 1.50   0.758% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   9.50 +/- 2.59   3.278% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  13.48 +/- 2.35   0.896% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  15.40 +/- 2.42   0.674% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.80 +/- 0.74   2.798% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.67 +/- 0.88   1.951% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.25 +/- 4.13   0.684% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.799, support = 5.86, residual support = 230.1:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  49.452% * 98.1826% (0.80  10.0 10.00   5.89 231.20) =  99.539%  kept
          QD2   LEU   73 - QD2   LEU   31   4.55 +/- 1.63  14.113% *  0.7017% (0.92   1.0  1.00   0.12   1.82) =   0.203%  kept
          QG1   VAL   41 - QD2   LEU   31   5.22 +/- 2.44  14.935% *  0.5552% (0.25   1.0  1.00   0.36   0.02) =   0.170%  kept
          QD2   LEU   73 - QG2   VAL   43   5.15 +/- 2.37  13.862% *  0.2873% (0.06   1.0  1.00   0.75   3.58) =   0.082%
        T HG    LEU   31 - QG2   VAL   43   8.18 +/- 3.06   3.139% *  0.0664% (0.05   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - QD2   LEU   31  13.94 +/- 2.31   0.349% *  0.1223% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD2   LEU   31  16.96 +/- 5.39   0.404% *  0.0694% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - QG2   VAL   43   6.10 +/- 1.00   3.056% *  0.0021% (0.02   1.0  1.00   0.02   1.43) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.82 +/- 1.50   0.446% *  0.0083% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.77 +/- 3.86   0.245% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.2:
    * O T QD1   LEU   31 - QD2   LEU   31   2.02 +/- 0.07  82.388% * 99.9324% (1.00  10.0 10.00   4.62 231.20) =  99.986%  kept
        T QD1   LEU   31 - QG2   VAL   43   6.41 +/- 2.94  17.612% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.014%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.3, residual support = 38.0:
    * O T QB    GLN   32 - HA    GLN   32   2.49 +/- 0.04  46.328% * 48.1839% (0.69  10.0 10.00   3.10  44.64) =  78.563%  kept
        T QB    GLN   32 - HA    LYS+  33   3.99 +/- 0.08  11.319% * 49.5845% (0.71   1.0 10.00   4.36  14.92) =  19.752%  kept
        T QB    GLN   32 - HA    GLU-  29   2.88 +/- 0.57  35.312% *  1.3500% (0.45   1.0 10.00   0.09   0.02) =   1.678%  kept
          HG3   GLU- 100 - HA    GLN   32  15.28 +/- 5.52   1.487% *  0.0386% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    LYS+  33  15.80 +/- 6.02   0.573% *  0.0397% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLU-  29  10.85 +/- 0.46   0.566% *  0.0311% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    LYS+  33  18.54 +/- 3.83   0.331% *  0.0458% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLN   32  14.38 +/- 0.68   0.240% *  0.0478% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  15.81 +/- 4.44   1.995% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.53 +/- 0.41   0.158% *  0.0491% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  19.87 +/- 3.57   0.150% *  0.0445% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  18.21 +/- 4.65   0.259% *  0.0251% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  25.52 +/- 3.78   0.059% *  0.0954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  29.14 +/- 5.04   0.058% *  0.0954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  25.97 +/- 3.88   0.056% *  0.0981% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  25.09 +/- 4.31   0.075% *  0.0621% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.42 +/- 5.43   0.070% *  0.0621% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  20.62 +/- 3.80   0.143% *  0.0289% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  30.04 +/- 4.61   0.038% *  0.0981% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.36 +/- 3.30   0.490% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  16.81 +/- 3.59   0.294% *  0.0074% (0.11   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 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.688, support = 3.25, residual support = 41.1:
    * O T QG    GLN   32 - HA    GLN   32   2.16 +/- 0.10  72.798% * 48.2345% (0.69  10.0 10.00   3.10  44.64) =  88.306%  kept
        T QG    GLN   32 - HA    LYS+  33   4.59 +/- 0.50   9.020% * 49.6366% (0.71   1.0 10.00   4.54  14.92) =  11.260%  kept
        T QG    GLN   32 - HA    GLU-  29   4.61 +/- 0.78  12.301% *  1.3514% (0.45   1.0 10.00   0.09   0.02) =   0.418%  kept
        T HB2   GLU- 100 - HA    GLN   32  15.55 +/- 5.67   3.631% *  0.1341% (0.19   1.0 10.00   0.02   0.02) =   0.012%
        T HB2   GLU- 100 - HA    LYS+  33  16.37 +/- 5.75   0.504% *  0.1380% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU- 100 - HA    GLU-  29  18.44 +/- 4.95   0.411% *  0.0873% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLN   32  18.87 +/- 3.68   0.172% *  0.0418% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  17.09 +/- 4.17   0.237% *  0.0272% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  19.76 +/- 3.42   0.141% *  0.0431% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  29.36 +/- 4.66   0.042% *  0.0982% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  28.95 +/- 4.03   0.039% *  0.0621% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.88 +/- 2.37   0.067% *  0.0293% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.91 +/- 2.51   0.061% *  0.0301% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.59 +/- 1.75   0.060% *  0.0190% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.19 +/- 2.55   0.090% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  24.95 +/- 3.78   0.076% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.38 +/- 1.40   0.069% *  0.0111% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  25.67 +/- 4.10   0.063% *  0.0111% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  20.83 +/- 2.29   0.092% *  0.0070% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  24.70 +/- 4.47   0.086% *  0.0070% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  28.71 +/- 3.93   0.041% *  0.0095% (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 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.71, support = 3.26, residual support = 37.0:
    * O T HA    GLN   32 - QB    GLN   32   2.49 +/- 0.04  49.044% * 45.8230% (0.69  10.0 10.00   3.10  44.64) =  76.065%  kept
        T HA    LYS+  33 - QB    GLN   32   3.99 +/- 0.08  11.982% * 50.9809% (0.76   1.0 10.00   4.36  14.92) =  20.676%  kept
        T HA    GLU-  29 - QB    GLN   32   2.88 +/- 0.57  37.342% *  2.5756% (0.90   1.0 10.00   0.09   0.02) =   3.255%  kept
        T HD2   PRO   52 - QB    GLN   32  25.34 +/- 4.19   0.144% *  0.3247% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QB    GLN   32  13.57 +/- 1.76   0.406% *  0.0616% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QB    GLN   32  23.01 +/- 4.39   0.292% *  0.0616% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    GLN   32  19.76 +/- 7.14   0.217% *  0.0644% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  13.87 +/- 2.18   0.400% *  0.0299% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  22.33 +/- 4.17   0.083% *  0.0484% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  24.30 +/- 3.86   0.088% *  0.0299% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.18, residual support = 44.6:
    * O T QG    GLN   32 - QB    GLN   32   2.10 +/- 0.03  97.532% * 99.7611% (1.00  10.0 10.00   3.18  44.64) =  99.999%  kept
          HB2   GLU- 100 - QB    GLN   32  15.21 +/- 4.61   1.685% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QB    GLN   32  16.49 +/- 3.70   0.336% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.14 +/- 1.79   0.104% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  19.23 +/- 2.04   0.143% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  22.59 +/- 3.78   0.131% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  26.13 +/- 3.73   0.070% *  0.0197% (0.20   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 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.698, support = 3.25, residual support = 40.7:
    * O T HA    GLN   32 - QG    GLN   32   2.16 +/- 0.10  76.438% * 45.8335% (0.69  10.0 10.00   3.10  44.64) =  87.156%  kept
        T HA    LYS+  33 - QG    GLN   32   4.59 +/- 0.50   9.471% * 50.9927% (0.76   1.0 10.00   4.54  14.92) =  12.015%  kept
        T HA    GLU-  29 - QG    GLN   32   4.61 +/- 0.78  12.902% *  2.5762% (0.90   1.0 10.00   0.09   0.02) =   0.827%  kept
        T HA    GLN  116 - QG    GLN   32  25.54 +/- 3.95   0.065% *  0.2991% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  15.10 +/- 1.69   0.266% *  0.0616% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  21.16 +/- 7.14   0.177% *  0.0644% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  24.51 +/- 4.40   0.181% *  0.0616% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  14.73 +/- 2.32   0.322% *  0.0299% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  23.42 +/- 4.42   0.081% *  0.0485% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  26.78 +/- 4.19   0.097% *  0.0325% (0.49   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 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.18, residual support = 44.6:
    * O T QB    GLN   32 - QG    GLN   32   2.10 +/- 0.03  97.692% * 99.6746% (1.00  10.0 10.00   3.18  44.64) =  99.998%  kept
          HG3   GLU- 100 - QG    GLN   32  15.11 +/- 4.91   0.973% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - QG    GLN   32  13.48 +/- 1.06   0.396% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.37 +/- 3.43   0.195% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  15.71 +/- 3.73   0.585% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  24.40 +/- 3.72   0.081% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  27.58 +/- 4.69   0.079% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 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 = 0.984, support = 6.42, residual support = 150.9:
    * O T QB    LYS+  33 - HA    LYS+  33   2.19 +/- 0.04  72.547% * 74.5770% (1.00  10.0 10.00   6.48 154.00) =  97.803%  kept
        T QB    LYS+  33 - HA    GLN   32   5.41 +/- 0.15   4.818% * 19.1791% (0.26   1.0 10.00   4.85  14.92) =   1.671%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.66 +/- 1.47   7.173% *  4.0067% (0.28   1.0 10.00   0.38   0.02) =   0.520%  kept
        T QB    LYS+  81 - HA    LYS+  33  23.53 +/- 4.56   0.130% *  0.7197% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HA    LYS+  33   9.64 +/- 1.39   2.615% *  0.0307% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    GLU-  29  20.76 +/- 5.25   0.139% *  0.2009% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  33   8.09 +/- 0.37   1.475% *  0.0186% (0.25   1.0  1.00   0.02   0.48) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.79 +/- 0.33   4.030% *  0.0052% (0.07   1.0  1.00   0.02  26.39) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  22.25 +/- 5.11   0.109% *  0.1851% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.90 +/- 3.53   0.224% *  0.0688% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.39 +/- 1.53   1.537% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  21.38 +/- 3.43   0.148% *  0.0731% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.75 +/- 0.21   1.664% *  0.0048% (0.06   1.0  1.00   0.02   1.78) =   0.000%
          HB    ILE  103 - HA    LYS+  33  20.64 +/- 3.51   0.112% *  0.0705% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  20.69 +/- 2.38   0.103% *  0.0705% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  29.95 +/- 4.08   0.037% *  0.1860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  14.25 +/- 2.07   0.671% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  20.69 +/- 4.19   0.226% *  0.0192% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  25.93 +/- 7.20   0.187% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  28.47 +/- 4.93   0.067% *  0.0519% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  19.01 +/- 4.42   0.174% *  0.0181% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  19.96 +/- 3.76   0.177% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  29.54 +/- 3.68   0.042% *  0.0720% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  28.68 +/- 2.44   0.035% *  0.0739% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  29.11 +/- 4.48   0.053% *  0.0478% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  20.95 +/- 4.32   0.127% *  0.0197% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  27.86 +/- 4.66   0.124% *  0.0201% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  19.42 +/- 2.90   0.127% *  0.0181% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  25.79 +/- 3.03   0.053% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  20.44 +/- 3.17   0.117% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  20.49 +/- 2.47   0.101% *  0.0197% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  22.12 +/- 2.86   0.091% *  0.0204% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  28.97 +/- 4.04   0.059% *  0.0185% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  26.77 +/- 3.78   0.049% *  0.0206% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  25.91 +/- 6.97   0.200% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  24.82 +/- 3.55   0.077% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  27.10 +/- 3.74   0.046% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  26.33 +/- 6.62   0.152% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  25.27 +/- 2.81   0.059% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.86 +/- 2.44   0.036% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  27.05 +/- 2.53   0.042% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.58 +/- 3.09   0.044% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.945, support = 6.06, residual support = 143.4:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.49 +/- 0.31  45.671% * 73.4573% (1.00  10.0 10.00   6.27 154.00) =  92.539%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.66 +/- 0.56  11.389% * 18.8911% (0.26   1.0 10.00   4.22  14.92) =   5.934%  kept
        T HG3   LYS+  33 - HA    GLU-  29   5.91 +/- 1.05  13.373% *  3.9423% (0.28   1.0 10.00   0.38   0.02) =   1.454%  kept
        T HG3   LYS+  65 - HA    LYS+  33  20.65 +/- 3.61   0.881% *  0.7281% (0.99   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   LYS+  65 - HA    GLU-  29  19.82 +/- 4.74   2.949% *  0.2033% (0.28   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   LYS+ 102 - HA    LYS+  33  20.01 +/- 4.95   0.415% *  0.6949% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 102 - HA    GLN   32  18.57 +/- 5.58   0.838% *  0.1787% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HA    GLU-  29  21.07 +/- 5.68   0.691% *  0.1940% (0.26   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - HA    GLN   32  21.03 +/- 3.86   0.691% *  0.1872% (0.25   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HA    LYS+  33  22.14 +/- 2.93   0.207% *  0.5882% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   12 - HA    LYS+  33  15.29 +/- 3.88   2.023% *  0.0588% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+  33  13.37 +/- 1.31   0.935% *  0.0709% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LYS+  33  14.43 +/- 1.50   0.739% *  0.0728% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLN   32  20.73 +/- 3.45   0.305% *  0.1513% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  33  14.69 +/- 3.34   1.025% *  0.0386% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLU-  29  22.06 +/- 2.85   0.223% *  0.1642% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLU-  29  11.78 +/- 2.17   1.647% *  0.0198% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    GLN   32  14.24 +/- 1.93   1.065% *  0.0187% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLN   32  13.45 +/- 3.99   1.935% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLU-  29  16.56 +/- 4.15   1.087% *  0.0164% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  13.40 +/- 1.54   0.972% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.40 +/- 1.43   0.622% *  0.0203% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  15.05 +/- 3.62   0.979% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.54 +/- 3.97   0.688% *  0.0151% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.84 +/- 1.10   0.442% *  0.0204% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  23.85 +/- 6.95   0.418% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  29.77 +/- 4.21   0.105% *  0.0659% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  16.56 +/- 3.58   0.607% *  0.0113% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  21.57 +/- 5.78   0.428% *  0.0113% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  20.87 +/- 2.95   0.282% *  0.0164% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  14.80 +/- 1.36   0.730% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  15.02 +/- 4.19   1.220% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.32 +/- 2.59   0.141% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  16.74 +/- 1.21   0.457% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  28.80 +/- 4.46   0.127% *  0.0184% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  18.52 +/- 6.47   0.678% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  16.59 +/- 3.86   0.665% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  18.75 +/- 3.93   0.438% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  28.96 +/- 3.72   0.106% *  0.0169% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  19.52 +/- 3.79   0.382% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  23.33 +/- 6.70   0.326% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  20.15 +/- 6.31   0.503% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  24.52 +/- 6.16   0.242% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.07 +/- 2.59   0.169% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.33 +/- 3.05   0.183% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.14 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.957, support = 4.89, residual support = 145.7:
    *   T QD    LYS+  33 - HA    LYS+  33   3.71 +/- 0.72  58.100% * 76.4502% (1.00 10.00   5.02 154.00) =  94.157%  kept
        T QD    LYS+  33 - HA    GLN   32   6.55 +/- 1.03  11.282% * 19.6608% (0.26 10.00   3.35  14.92) =   4.702%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.10 +/- 1.20  21.165% *  2.5266% (0.28 10.00   0.24   0.02) =   1.134%  kept
          HB3   LEU  123 - HA    LYS+  33  26.78 +/- 7.96   1.207% *  0.0765% (1.00  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HA    LYS+  33  33.72 +/- 4.10   0.106% *  0.6856% (0.90 10.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HA    GLN   32  26.87 +/- 7.80   1.876% *  0.0197% (0.26  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  33  21.37 +/- 3.00   0.475% *  0.0663% (0.87  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+  33  18.24 +/- 1.20   0.576% *  0.0433% (0.57  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLU-  29  32.61 +/- 3.94   0.114% *  0.1914% (0.25 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  32.43 +/- 3.95   0.118% *  0.1763% (0.23 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  20.44 +/- 3.72   1.078% *  0.0185% (0.24  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  27.44 +/- 7.25   0.778% *  0.0213% (0.28  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  16.22 +/- 2.17   0.976% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  21.05 +/- 2.97   0.557% *  0.0171% (0.22  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.09 +/- 1.52   0.629% *  0.0111% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  29.96 +/- 3.94   0.171% *  0.0151% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  28.21 +/- 4.93   0.559% *  0.0042% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  29.38 +/- 4.17   0.232% *  0.0039% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.17 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.773, support = 5.2, residual support = 112.1:
    *   T QE    LYS+  33 - HA    LYS+  33   3.81 +/- 1.05  26.502% * 48.8718% (1.00 10.00   5.69 154.00) =  69.007%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.17 +/- 0.23  20.682% * 13.3743% (0.27 10.00   5.77  32.92) =  14.737%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.50 +/- 0.24   9.078% * 16.6706% (0.34 10.00   2.87   5.21) =   8.063%  kept
        T HB2   ASN   35 - HA    GLN   32   4.69 +/- 0.80  15.511% *  4.2872% (0.09 10.00   2.06   3.52) =   3.543%  kept
        T QE    LYS+  33 - HA    GLN   32   6.61 +/- 1.22   4.705% * 12.5684% (0.26 10.00   3.59  14.92) =   3.151%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.44 +/- 1.55  10.010% *  2.6266% (0.28 10.00   0.39   0.02) =   1.401%  kept
        T HB2   ASN   28 - HA    LYS+  33  10.61 +/- 0.91   1.393% *  0.4790% (0.98 10.00   0.02   0.02) =   0.036%
        T HB2   ASN   28 - HA    GLN   32   8.15 +/- 0.77   2.992% *  0.1232% (0.25 10.00   0.02   0.02) =   0.020%
        T QE    LYS+  65 - HA    GLU-  29  18.70 +/- 4.48   2.549% *  0.1224% (0.25 10.00   0.02   0.02) =   0.017%
        T QE    LYS+  65 - HA    LYS+  33  19.77 +/- 3.33   0.621% *  0.4383% (0.90 10.00   0.02   0.02) =   0.014%
        T HB2   ASN   35 - HA    GLU-  29   9.52 +/- 0.68   1.660% *  0.0465% (0.10 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    GLN   32  20.10 +/- 3.58   0.520% *  0.1127% (0.23 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - HA    LYS+  33  20.90 +/- 2.92   0.215% *  0.1088% (0.22 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLU-  29  18.21 +/- 2.96   0.305% *  0.0304% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  24.90 +/- 4.22   0.264% *  0.0316% (0.65  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  20.05 +/- 3.04   0.248% *  0.0280% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  22.08 +/- 4.83   0.202% *  0.0336% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  17.02 +/- 3.31   0.662% *  0.0075% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  19.95 +/- 6.24   0.426% *  0.0086% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  19.68 +/- 6.21   0.390% *  0.0094% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  21.87 +/- 3.20   0.182% *  0.0088% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  23.83 +/- 3.99   0.180% *  0.0081% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  18.27 +/- 3.27   0.468% *  0.0019% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.69 +/- 2.96   0.236% *  0.0021% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.05 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 0.986, support = 6.34, residual support = 148.8:
    * O T HA    LYS+  33 - QB    LYS+  33   2.19 +/- 0.04  79.928% * 68.0304% (1.00  10.0 10.00   6.48 154.00) =  96.446%  kept
        T HA    GLN   32 - QB    LYS+  33   5.41 +/- 0.15   5.309% * 18.9150% (0.28   1.0 10.00   4.85  14.92) =   1.781%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.66 +/- 1.47   7.895% * 12.6343% (0.97   1.0 10.00   0.38   0.02) =   1.769%  kept
          HB2   SER   37 - QB    LYS+  33   6.32 +/- 1.26   4.670% *  0.0151% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QB    LYS+  33  11.42 +/- 2.13   0.902% *  0.0590% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QB    LYS+  33  11.67 +/- 1.82   0.662% *  0.0644% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    LYS+  33  20.87 +/- 5.55   0.185% *  0.0610% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.38 +/- 4.52   0.151% *  0.0590% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  24.91 +/- 3.48   0.076% *  0.1050% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  22.69 +/- 3.95   0.143% *  0.0358% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  23.17 +/- 2.68   0.079% *  0.0210% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 153.9:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.45 +/- 0.10  86.442% * 96.3761% (1.00  10.0 10.00   6.31 154.00) =  99.959%  kept
        T HG3   LYS+  65 - QB    LYS+  33  17.08 +/- 3.32   1.937% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.022%
        T QB    LEU   98 - QB    LYS+  33  12.94 +/- 2.91   0.866% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 102 - QB    LYS+  33  18.11 +/- 4.45   0.399% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QB    LYS+  33  12.81 +/- 3.59   3.300% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QB    LYS+  33  19.35 +/- 2.74   0.254% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+  33  10.48 +/- 1.14   1.266% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QB    LYS+  33  12.12 +/- 1.55   1.070% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QB    LYS+  33  20.63 +/- 6.55   2.124% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+  33  13.60 +/- 1.14   0.548% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  25.62 +/- 4.12   0.136% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  14.54 +/- 3.23   0.612% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  18.20 +/- 5.05   0.603% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  17.89 +/- 2.56   0.291% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  21.61 +/- 2.36   0.151% *  0.0240% (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 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 154.0:
    * O T QD    LYS+  33 - QB    LYS+  33   2.23 +/- 0.21  98.432% * 97.3258% (1.00  10.0 10.00   5.02 154.00) =  99.990%  kept
        T HB3   LEU  123 - QB    LYS+  33  23.15 +/- 6.95   0.619% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.006%
        T HD2   LYS+  74 - QB    LYS+  33  14.85 +/- 1.23   0.418% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - QB    LYS+  33  29.33 +/- 3.91   0.058% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  33  18.12 +/- 2.91   0.351% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  25.55 +/- 3.61   0.122% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 0.998, support = 5.63, residual support = 153.6:
    *   T QE    LYS+  33 - QB    LYS+  33   2.77 +/- 0.52  82.003% * 96.4796% (1.00 10.00   5.65 154.00) =  99.762%  kept
          HB2   ASN   35 - QB    LYS+  33   6.80 +/- 0.23   7.105% *  2.2022% (0.34  1.00   1.34   5.21) =   0.197%  kept
        T QE    LYS+  65 - QB    LYS+  33  16.39 +/- 3.10   2.971% *  0.8653% (0.90 10.00   0.02   0.02) =   0.032%
          HB2   ASN   28 - QB    LYS+  33   8.93 +/- 1.12   3.686% *  0.0946% (0.98  1.00   0.02   0.02) =   0.004%
        T HB2   ASP-  76 - QB    LYS+  33  17.39 +/- 2.70   0.716% *  0.2148% (0.22 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - QB    LYS+  33  21.01 +/- 3.78   1.160% *  0.0624% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  33  19.14 +/- 4.00   0.452% *  0.0663% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  14.62 +/- 2.86   1.908% *  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 = 0.952, support = 5.85, residual support = 137.7:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.49 +/- 0.31  40.671% * 65.6362% (1.00  10.0 10.00   6.27 154.00) =  88.822%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.66 +/- 0.56  10.213% * 18.2493% (0.28   1.0 10.00   4.22  14.92) =   6.201%  kept
        T HA    GLU-  29 - HG3   LYS+  33   5.91 +/- 1.05  11.997% * 12.1765% (0.97   1.0 10.00   0.38   0.02) =   4.860%  kept
        T HA    GLU-  29 - HG3   LYS+  65  19.82 +/- 4.74   2.660% *  0.5470% (0.83   1.0 10.00   0.02   0.02) =   0.048%
        T HA    LYS+  33 - HG3   LYS+  65  20.65 +/- 3.61   0.794% *  0.5668% (0.86   1.0 10.00   0.02   0.02) =   0.015%
        T HA    GLU-  29 - HG3   LYS+ 102  21.07 +/- 5.68   0.611% *  0.3147% (0.48   1.0 10.00   0.02   0.02) =   0.006%
          HA    VAL   18 - HG3   LYS+  65  11.00 +/- 3.91   3.219% *  0.0536% (0.82   1.0  1.00   0.02   0.02) =   0.006%
          HB2   SER   37 - HG3   LYS+  33   7.42 +/- 2.32  10.942% *  0.0146% (0.22   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL   70 - HG3   LYS+  33  11.94 +/- 2.62   2.348% *  0.0569% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  33 - HG3   LYS+ 102  20.01 +/- 4.95   0.360% *  0.3260% (0.50   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   18 - HG3   LYS+  33  11.57 +/- 1.83   1.643% *  0.0621% (0.95   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+  65  21.03 +/- 3.86   0.623% *  0.1576% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HG3   LYS+ 106  22.06 +/- 2.85   0.198% *  0.4025% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - HG3   LYS+ 106  22.14 +/- 2.93   0.185% *  0.4171% (0.64   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+ 102  18.57 +/- 5.58   0.729% *  0.0907% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   70 - HG3   LYS+  65  11.80 +/- 1.22   1.298% *  0.0492% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HG3   LYS+  65  16.74 +/- 5.01   1.144% *  0.0298% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 106  20.73 +/- 3.45   0.272% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - HG3   LYS+ 106  18.79 +/- 2.77   0.449% *  0.0644% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+  65  16.13 +/- 2.02   0.537% *  0.0492% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+ 106  14.61 +/- 1.89   0.637% *  0.0362% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 106  16.90 +/- 2.96   0.550% *  0.0362% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+ 106  12.62 +/- 2.45   1.523% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+  33  22.17 +/- 6.42   0.329% *  0.0589% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+  65  22.65 +/- 4.17   0.292% *  0.0508% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  18.14 +/- 2.82   0.390% *  0.0374% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  19.02 +/- 2.91   0.346% *  0.0395% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  19.03 +/- 3.67   0.501% *  0.0219% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  18.81 +/- 3.13   0.376% *  0.0283% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.62 +/- 4.37   0.344% *  0.0308% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  21.56 +/- 4.69   0.360% *  0.0292% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  25.06 +/- 4.62   0.159% *  0.0569% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.26 +/- 4.32   0.256% *  0.0345% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  18.82 +/- 2.32   0.401% *  0.0126% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  17.76 +/- 3.55   0.563% *  0.0087% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  18.67 +/- 3.35   0.449% *  0.0101% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  23.41 +/- 3.10   0.158% *  0.0283% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  18.79 +/- 5.23   0.457% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  23.48 +/- 3.92   0.179% *  0.0175% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  26.58 +/- 4.66   0.167% *  0.0172% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.75 +/- 3.01   0.139% *  0.0203% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.78 +/- 3.43   0.242% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  26.76 +/- 3.64   0.126% *  0.0101% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  27.57 +/- 4.04   0.161% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.841, support = 6.14, residual support = 144.8:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.45 +/- 0.10  36.282% * 52.2883% (1.00  10.0 10.00   6.31 154.00) =  60.228%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.40 +/- 0.09  38.492% * 31.4310% (0.60  10.0 10.00   5.94 134.65) =  38.409%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.54 +/- 0.49   3.380% *  7.5910% (0.62   1.0  1.00   4.66  24.58) =   0.815%  kept
          HB    ILE  103 - HG3   LYS+ 102   6.13 +/- 0.95   3.037% *  5.3374% (0.47   1.0  1.00   4.34  23.49) =   0.515%  kept
        T QB    LYS+  33 - HG3   LYS+  65  17.08 +/- 3.32   0.814% *  0.4515% (0.86   1.0 10.00   0.02   0.02) =   0.012%
          HB    ILE  103 - HG3   LYS+ 106   5.75 +/- 1.26   3.989% *  0.0314% (0.60   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.26 +/- 1.64   0.472% *  0.2457% (0.47   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HG3   LYS+  65  17.17 +/- 2.40   0.156% *  0.4271% (0.82   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG3   LYS+  33   5.24 +/- 0.68   4.160% *  0.0130% (0.25   1.0  1.00   0.02   0.48) =   0.002%
        T QB    LYS+  33 - HG3   LYS+ 102  18.11 +/- 4.45   0.161% *  0.2597% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG3   LYS+  33  19.24 +/- 2.01   0.082% *  0.4946% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 106  19.35 +/- 2.74   0.098% *  0.3323% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG3   LYS+  65  17.57 +/- 3.48   0.564% *  0.0443% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  65  10.61 +/- 1.53   0.576% *  0.0417% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  65  15.20 +/- 3.43   1.709% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HG3   LYS+  33  10.64 +/- 1.71   0.636% *  0.0215% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  16.07 +/- 4.05   0.295% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.39 +/- 3.35   0.223% *  0.0483% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.76 +/- 1.39   0.404% *  0.0255% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  19.18 +/- 4.09   0.207% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  14.25 +/- 1.89   0.219% *  0.0329% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  13.35 +/- 1.73   0.265% *  0.0256% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.94 +/- 3.20   0.112% *  0.0513% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  15.97 +/- 3.70   0.505% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  21.38 +/- 4.35   0.099% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  16.53 +/- 2.05   0.150% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  22.79 +/- 4.72   0.093% *  0.0448% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  19.69 +/- 2.96   0.082% *  0.0495% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.36 +/- 2.40   0.211% *  0.0188% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  20.98 +/- 4.52   0.158% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  21.74 +/- 3.15   0.077% *  0.0427% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  20.52 +/- 4.44   0.098% *  0.0307% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.04 +/- 7.05   0.224% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  20.82 +/- 3.11   0.086% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  22.89 +/- 4.69   0.092% *  0.0240% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  18.02 +/- 5.54   0.190% *  0.0107% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  27.05 +/- 3.32   0.038% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  21.81 +/- 3.27   0.075% *  0.0257% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  23.41 +/- 3.08   0.054% *  0.0296% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  26.57 +/- 2.39   0.030% *  0.0518% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  19.36 +/- 4.54   0.219% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  20.80 +/- 2.28   0.076% *  0.0186% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  18.82 +/- 4.49   0.197% *  0.0070% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.41 +/- 2.67   0.104% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  17.88 +/- 3.48   0.118% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  20.99 +/- 3.14   0.066% *  0.0137% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.39 +/- 2.49   0.107% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  15.47 +/- 1.49   0.157% *  0.0051% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  18.47 +/- 2.21   0.094% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  29.35 +/- 4.08   0.026% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  24.30 +/- 2.98   0.043% *  0.0147% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  27.58 +/- 3.96   0.035% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  24.03 +/- 5.41   0.057% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.47 +/- 2.37   0.035% *  0.0081% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.68 +/- 3.47   0.032% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.90 +/- 2.13   0.038% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.64, residual support = 153.9:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.33 +/- 0.15  87.043% * 94.8130% (1.00  10.0 10.00   4.64 154.00) =  99.964%  kept
        T QD    LYS+  33 - HG3   LYS+  65  16.43 +/- 3.50   1.996% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.020%
        T HD3   LYS+ 111 - HG3   LYS+ 106  16.40 +/- 3.42   0.847% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HD2   LYS+  74 - HG3   LYS+  65   9.95 +/- 3.88   3.940% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 102  18.96 +/- 3.88   0.265% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 106  19.62 +/- 2.65   0.201% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+  65  11.00 +/- 2.41   1.281% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  65  23.95 +/- 2.84   0.113% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+  33  25.04 +/- 7.71   0.737% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+  65  17.52 +/- 4.15   0.507% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.62 +/- 3.96   0.049% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+ 102  26.73 +/- 2.92   0.074% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  15.41 +/- 2.10   0.435% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  19.32 +/- 3.00   0.243% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  15.38 +/- 1.70   0.327% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  19.32 +/- 3.47   0.190% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  16.65 +/- 3.85   0.691% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.51 +/- 2.49   0.256% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  21.95 +/- 2.87   0.149% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.01 +/- 3.88   0.222% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  24.86 +/- 5.84   0.123% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  21.40 +/- 3.31   0.183% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  27.46 +/- 3.55   0.073% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  29.89 +/- 4.27   0.056% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.892, support = 4.84, residual support = 156.3:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.79 +/- 0.49  35.407% * 54.6859% (1.00  10.0 10.00   5.28 154.00) =  52.475%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.60 +/- 0.44  41.363% * 42.3520% (0.77  10.0 10.00   4.35 159.04) =  47.476%  kept
        T HB2   ASP-  76 - HG3   LYS+  65  13.79 +/- 4.39   7.433% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.021%
        T QE    LYS+  33 - HG3   LYS+  65  16.80 +/- 3.70   0.450% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  65 - HG3   LYS+  33  17.40 +/- 3.19   0.305% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HG3   LYS+ 106  18.27 +/- 3.17   0.319% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - HG3   LYS+  33  18.09 +/- 3.07   0.646% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+ 102  21.00 +/- 6.49   2.897% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.16 +/- 1.01   1.227% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HG3   LYS+  65  16.48 +/- 5.26   1.708% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.72 +/- 2.60   0.113% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HG3   LYS+  33  22.14 +/- 4.14   1.101% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 102  18.85 +/- 3.92   0.135% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  33   7.61 +/- 0.50   1.853% *  0.0187% (0.34   1.0  1.00   0.02   5.21) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.20 +/- 4.21   0.102% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+ 106  16.54 +/- 2.62   0.276% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG3   LYS+ 106  12.27 +/- 3.25   0.837% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+  65  19.37 +/- 5.07   0.387% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  21.37 +/- 5.30   0.290% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  12.66 +/- 2.13   0.920% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.73 +/- 3.28   0.348% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  20.22 +/- 4.69   0.163% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  19.26 +/- 3.38   0.211% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  20.98 +/- 3.59   0.136% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  21.16 +/- 3.47   0.106% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  18.28 +/- 6.07   0.336% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  24.40 +/- 6.16   0.172% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  15.89 +/- 3.06   0.298% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.48 +/- 3.67   0.098% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  21.63 +/- 3.87   0.109% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  20.09 +/- 3.80   0.132% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  21.68 +/- 4.47   0.119% *  0.0042% (0.08   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 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.962, support = 4.75, residual support = 140.9:
    *   T HA    LYS+  33 - QD    LYS+  33   3.71 +/- 0.72  42.339% * 70.3503% (1.00 10.00   5.02 154.00) =  91.027%  kept
        T HA    GLN   32 - QD    LYS+  33   6.55 +/- 1.03   8.450% * 19.5600% (0.28 10.00   3.35  14.92) =   5.051%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.10 +/- 1.20  15.829% *  8.0368% (0.97 10.00   0.24   0.02) =   3.888%  kept
          HB2   SER   37 - QD    LYS+  33   7.03 +/- 2.52  19.914% *  0.0157% (0.22  1.00   0.02   0.02) =   0.010%
          HA    VAL   18 - QD    LYS+  33  10.40 +/- 2.23   4.336% *  0.0665% (0.95  1.00   0.02   0.02) =   0.009%
          HA    VAL   70 - QD    LYS+  33  11.38 +/- 2.60   2.968% *  0.0610% (0.87  1.00   0.02   0.02) =   0.006%
          HA    GLN  116 - HD3   LYS+ 111  12.27 +/- 1.32   1.483% *  0.0547% (0.78  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HD3   LYS+ 111  33.72 +/- 4.10   0.076% *  0.6304% (0.90 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HD3   LYS+ 111  32.61 +/- 3.94   0.078% *  0.6084% (0.86 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QD    LYS+  33  23.17 +/- 4.92   0.580% *  0.0610% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QD    LYS+  33  20.69 +/- 5.45   0.427% *  0.0631% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QD    LYS+  33  22.35 +/- 3.81   0.434% *  0.0370% (0.53  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  19.17 +/- 3.38   0.434% *  0.0332% (0.47  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.43 +/- 3.95   0.081% *  0.1753% (0.25 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  19.03 +/- 4.05   0.636% *  0.0195% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  25.64 +/- 3.72   0.177% *  0.0565% (0.80  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  26.43 +/- 3.90   0.179% *  0.0547% (0.78  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.01 +/- 2.90   0.927% *  0.0097% (0.14  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  27.26 +/- 3.16   0.138% *  0.0596% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  23.23 +/- 2.23   0.214% *  0.0217% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  24.64 +/- 3.39   0.212% *  0.0109% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  32.47 +/- 3.73   0.090% *  0.0140% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 0.999, support = 5.02, residual support = 153.8:
    * O T QB    LYS+  33 - QD    LYS+  33   2.23 +/- 0.21  81.754% * 92.7816% (1.00  10.0 10.00   5.02 154.00) =  99.839%  kept
          HB3   GLN   30 - QD    LYS+  33   5.71 +/- 0.85   6.920% *  1.5134% (0.25   1.0  1.00   1.31   0.48) =   0.138%  kept
        T HG3   PRO   68 - QD    LYS+  33  15.84 +/- 3.42   0.716% *  0.8565% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   ARG+  54 - HD3   LYS+ 111  17.27 +/- 3.45   0.364% *  0.8024% (0.86   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU  123 - QD    LYS+  33  22.15 +/- 6.60   0.782% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HD3   LYS+ 111  13.29 +/- 3.11   1.827% *  0.0786% (0.85   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   ARG+  54 - QD    LYS+  33  24.77 +/- 2.96   0.084% *  0.8954% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   68 - HD3   LYS+ 111  27.84 +/- 5.08   0.068% *  0.7675% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD    LYS+  33  10.42 +/- 1.71   1.148% *  0.0381% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD3   LYS+ 111  29.33 +/- 3.91   0.048% *  0.8314% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   LYS+ 111  16.26 +/- 4.65   0.468% *  0.0824% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+  33  18.95 +/- 3.56   0.362% *  0.0909% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  11.91 +/- 3.98   2.359% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  19.76 +/- 3.65   0.328% *  0.0895% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  19.44 +/- 1.86   0.139% *  0.2073% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  14.28 +/- 3.10   0.505% *  0.0471% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  17.37 +/- 3.39   0.259% *  0.0815% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  18.28 +/- 2.10   0.190% *  0.0878% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  12.75 +/- 3.61   0.791% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  18.91 +/- 2.88   0.183% *  0.0878% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  20.67 +/- 3.94   0.157% *  0.0802% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  21.34 +/- 2.91   0.120% *  0.0786% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  21.60 +/- 3.31   0.122% *  0.0525% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  24.70 +/- 2.03   0.069% *  0.0920% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  25.40 +/- 3.81   0.083% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.52 +/- 2.53   0.073% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  28.63 +/- 3.60   0.049% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  33.09 +/- 3.47   0.029% *  0.0342% (0.37   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 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 153.2:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.33 +/- 0.15  83.364% * 79.1608% (1.00  10.0 10.00   4.64 154.00) =  99.379%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   8.17 +/- 0.90   2.536% * 15.1010% (0.80   1.0  1.00   4.75  28.70) =   0.577%  kept
        T HG3   LYS+  65 - QD    LYS+  33  16.43 +/- 3.50   1.909% *  0.7846% (0.99   1.0 10.00   0.02   0.02) =   0.023%
        T HG3   LYS+ 106 - HD3   LYS+ 111  16.40 +/- 3.42   0.808% *  0.5680% (0.72   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 102 - QD    LYS+  33  18.96 +/- 3.88   0.254% *  0.7488% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QD    LYS+  33  19.62 +/- 2.65   0.193% *  0.6339% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   12 - QD    LYS+  33  12.12 +/- 3.21   1.903% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QD    LYS+  33   9.97 +/- 2.10   1.438% *  0.0764% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HD3   LYS+ 111  23.95 +/- 2.84   0.108% *  0.7031% (0.89   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+  33  12.24 +/- 1.70   0.768% *  0.0785% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HD3   LYS+ 111  26.73 +/- 2.92   0.071% *  0.6710% (0.85   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HD3   LYS+ 111  19.09 +/- 3.21   0.200% *  0.1769% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.62 +/- 3.96   0.047% *  0.7094% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  11.62 +/- 3.35   1.688% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  13.44 +/- 2.54   0.601% *  0.0416% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  20.96 +/- 5.96   0.929% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  12.88 +/- 1.81   0.603% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  25.33 +/- 4.57   0.182% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  21.61 +/- 3.20   0.169% *  0.0703% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  20.58 +/- 3.01   0.230% *  0.0373% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  24.62 +/- 4.07   0.104% *  0.0685% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.40 +/- 3.31   0.437% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  15.07 +/- 2.67   0.386% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.71 +/- 2.23   0.220% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  17.93 +/- 5.01   0.309% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.38 +/- 2.83   0.148% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  24.34 +/- 3.64   0.124% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  33.71 +/- 3.87   0.033% *  0.0568% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.96 +/- 3.17   0.129% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  23.64 +/- 3.45   0.110% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 154.0:
    * O T QE    LYS+  33 - QD    LYS+  33   2.09 +/- 0.04  93.669% * 96.5704% (1.00  10.0 10.00   4.23 154.00) =  99.987%  kept
        T QE    LYS+  65 - QD    LYS+  33  15.72 +/- 3.14   0.838% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.008%
          HB2   ASN   28 - QD    LYS+  33   9.17 +/- 1.10   1.289% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  33  16.86 +/- 2.65   0.356% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HD3   LYS+ 111  21.77 +/- 2.28   0.093% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  33   8.01 +/- 0.83   1.902% *  0.0329% (0.34   1.0  1.00   0.02   5.21) =   0.001%
          HB2   ASP-  78 - QD    LYS+  33  20.44 +/- 3.72   0.704% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.44 +/- 4.18   0.046% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  22.90 +/- 3.57   0.094% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  19.29 +/- 3.71   0.161% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  14.59 +/- 2.99   0.516% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.41 +/- 4.52   0.107% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.10 +/- 3.54   0.101% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.08 +/- 4.14   0.034% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  28.46 +/- 4.86   0.066% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  33.86 +/- 3.88   0.025% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.961, support = 5.18, residual support = 135.3:
    *   T HA    LYS+  33 - QE    LYS+  33   3.81 +/- 1.05  30.350% * 66.9074% (1.00 10.00   5.69 154.00) =  87.355%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.44 +/- 1.55  14.344% * 12.4302% (0.97 10.00   0.39   0.02) =   7.670%  kept
        T HA    GLN   32 - QE    LYS+  33   6.61 +/- 1.22   6.040% * 18.6027% (0.28 10.00   3.59  14.92) =   4.833%  kept
          HA    VAL   18 - QE    LYS+  65  10.86 +/- 3.41   2.694% *  0.5639% (0.49  1.00   0.35   0.02) =   0.065%
        T HA    GLU-  29 - QE    LYS+  65  18.70 +/- 4.48   1.820% *  0.3319% (0.50 10.00   0.02   0.02) =   0.026%
          HB2   SER   37 - QE    LYS+  33   6.76 +/- 2.84  19.726% *  0.0149% (0.22  1.00   0.02   0.02) =   0.013%
          HA    VAL   70 - QE    LYS+  33  11.42 +/- 2.78   3.266% *  0.0580% (0.87  1.00   0.02   0.02) =   0.008%
        T HA    LYS+  33 - QE    LYS+  65  19.77 +/- 3.33   0.525% *  0.3439% (0.51 10.00   0.02   0.02) =   0.008%
          HA    VAL   18 - QE    LYS+  33  10.88 +/- 2.02   2.613% *  0.0633% (0.95  1.00   0.02   0.02) =   0.007%
        T HA    GLN   32 - QE    LYS+  65  20.10 +/- 3.58   0.465% *  0.0956% (0.14 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB2   ASP-  76  18.21 +/- 2.96   0.397% *  0.0963% (0.14 10.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HB2   ASP-  76  10.59 +/- 1.94   3.415% *  0.0090% (0.13  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  65  12.33 +/- 1.26   0.989% *  0.0298% (0.45  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  65  20.70 +/- 4.25   0.867% *  0.0308% (0.46  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASP-  76  20.90 +/- 2.92   0.267% *  0.0998% (0.15 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - QE    LYS+  65  15.11 +/- 5.04   1.292% *  0.0181% (0.27  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  33  20.98 +/- 5.42   0.345% *  0.0600% (0.90  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  65  14.98 +/- 1.56   0.653% *  0.0298% (0.45  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76  11.78 +/- 4.20   3.703% *  0.0053% (0.08  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QE    LYS+  33  22.73 +/- 4.06   0.380% *  0.0352% (0.53  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASP-  76  13.74 +/- 5.08   1.352% *  0.0094% (0.14  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  33  23.47 +/- 4.66   0.198% *  0.0580% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  20.05 +/- 3.04   0.317% *  0.0277% (0.04 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  21.65 +/- 4.31   0.330% *  0.0106% (0.16  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  17.11 +/- 1.75   0.375% *  0.0087% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.38 +/- 2.65   0.156% *  0.0207% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  16.06 +/- 3.59   0.598% *  0.0053% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  20.33 +/- 2.38   0.343% *  0.0087% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.41 +/- 2.26   0.338% *  0.0077% (0.11  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  25.00 +/- 3.47   0.199% *  0.0103% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.55 +/- 1.75   0.622% *  0.0031% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  15.98 +/- 4.34   0.792% *  0.0015% (0.02  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  21.01 +/- 2.19   0.228% *  0.0022% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.11 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 0.999, support = 5.64, residual support = 153.9:
    *   T QB    LYS+  33 - QE    LYS+  33   2.77 +/- 0.52  54.925% * 97.7354% (1.00 10.00   5.65 154.00) =  99.917%  kept
          HB3   GLN   30 - QE    LYS+  33   6.26 +/- 1.15   9.223% *  0.2434% (0.25  1.00   0.20   0.48) =   0.042%
        T QB    LYS+  33 - QE    LYS+  65  16.39 +/- 3.10   1.966% *  0.5024% (0.51 10.00   0.02   0.02) =   0.018%
          HB3   ASP- 105 - QE    LYS+  65  16.81 +/- 3.92   6.846% *  0.0492% (0.50  1.00   0.02   0.02) =   0.006%
          HG3   PRO   68 - QE    LYS+  33  15.98 +/- 3.82   2.003% *  0.0902% (0.92  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  38 - QE    LYS+  33  10.09 +/- 1.95   2.796% *  0.0402% (0.41  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - HB2   ASP-  76  17.39 +/- 2.70   0.486% *  0.1458% (0.15 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QE    LYS+  65  14.36 +/- 3.66   1.249% *  0.0485% (0.50  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+  65  11.00 +/- 1.29   1.197% *  0.0464% (0.47  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   ASP-  76   8.30 +/- 1.31   3.470% *  0.0141% (0.14  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+  65  17.27 +/- 4.38   0.674% *  0.0485% (0.50  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QE    LYS+  33  19.01 +/- 3.54   0.307% *  0.0958% (0.98  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QE    LYS+  65  14.73 +/- 3.07   2.251% *  0.0125% (0.13  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+  33  20.04 +/- 3.83   0.295% *  0.0943% (0.97  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QE    LYS+  65  16.25 +/- 2.73   0.542% *  0.0475% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  18.38 +/- 2.25   0.269% *  0.0925% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  12.45 +/- 1.58   0.866% *  0.0284% (0.29  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.94 +/- 3.10   0.252% *  0.0925% (0.95  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  14.83 +/- 3.09   1.347% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  20.82 +/- 4.84   0.323% *  0.0498% (0.51  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  17.63 +/- 4.01   0.910% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  20.57 +/- 3.76   0.239% *  0.0475% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  24.92 +/- 2.36   0.111% *  0.0969% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.14 +/- 3.11   0.104% *  0.0943% (0.97  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  21.92 +/- 3.12   0.172% *  0.0553% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  14.74 +/- 3.16   0.576% *  0.0144% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  22.48 +/- 6.30   0.320% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  14.68 +/- 1.53   0.460% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  17.14 +/- 4.11   0.810% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  18.01 +/- 4.25   0.445% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  16.69 +/- 2.80   0.433% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  18.18 +/- 3.50   0.330% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  20.21 +/- 2.03   0.215% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.77 +/- 2.89   0.400% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  13.98 +/- 3.01   0.897% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.75 +/- 4.05   0.849% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  20.06 +/- 2.47   0.200% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  24.82 +/- 2.76   0.179% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  25.74 +/- 3.72   0.109% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  14.33 +/- 3.44   0.641% *  0.0022% (0.02  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  22.97 +/- 4.01   0.200% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  23.19 +/- 2.78   0.114% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (1.38, 2.92, 42.01 ppm):
    45 chemical-shift based assignments, quality = 0.819, support = 4.94, residual support = 155.8:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.79 +/- 0.49  29.428% * 63.8684% (1.00  10.0 10.00   5.28 154.00) =  63.206%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.60 +/- 0.44  33.573% * 32.5421% (0.51  10.0 10.00   4.35 159.04) =  36.740%  kept
        T HG3   LYS+  65 - HB2   ASP-  76  13.79 +/- 4.39   6.277% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.020%
        T HG3   LYS+  65 - QE    LYS+  33  16.80 +/- 3.70   0.376% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.008%
          QB    ALA   12 - QE    LYS+  33  12.19 +/- 3.13   3.494% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+  33 - QE    LYS+  65  17.40 +/- 3.19   0.256% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - QE    LYS+  65  18.27 +/- 3.17   0.268% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - QE    LYS+  33  18.85 +/- 3.92   0.110% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - HB2   ASP-  76  18.09 +/- 3.07   0.531% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QE    LYS+  33  19.72 +/- 2.60   0.093% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QE    LYS+  33  10.43 +/- 2.13   0.750% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - QE    LYS+  65  23.20 +/- 4.21   0.084% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  33  12.36 +/- 2.12   0.399% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HB2   ASP-  76  21.37 +/- 5.30   0.240% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HB2   ASP-  76  16.54 +/- 2.62   0.220% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  65  11.40 +/- 2.28   0.517% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HB2   ASP-  76   6.01 +/- 1.57   9.315% *  0.0015% (0.02   1.0  1.00   0.02   1.60) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.26 +/- 1.84   0.393% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  13.42 +/- 2.72   0.355% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  10.40 +/- 2.98   1.113% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  16.44 +/- 3.92   0.322% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   6.89 +/- 1.28   2.982% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76   9.95 +/- 1.27   0.749% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.34 +/- 1.78   0.354% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  16.07 +/- 1.83   0.164% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  15.81 +/- 2.50   0.249% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  16.11 +/- 4.06   0.834% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  15.06 +/- 3.88   0.524% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  13.66 +/- 2.98   0.760% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.73 +/- 1.14   1.539% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  13.74 +/- 1.59   0.338% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  21.19 +/- 5.76   0.194% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  18.25 +/- 4.99   0.303% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  25.65 +/- 4.39   0.049% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  13.98 +/- 2.68   0.314% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.93 +/- 2.47   0.175% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  15.17 +/- 2.66   0.215% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  16.55 +/- 2.65   0.191% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  13.31 +/- 2.39   0.624% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  21.70 +/- 2.79   0.075% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  19.65 +/- 3.44   0.132% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  14.66 +/- 3.62   0.723% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  17.47 +/- 3.10   0.195% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  21.00 +/- 4.02   0.097% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  22.02 +/- 4.26   0.103% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 154.0:
    * O T QD    LYS+  33 - QE    LYS+  33   2.09 +/- 0.04  83.893% * 97.4730% (1.00  10.0 10.00   4.23 154.00) =  99.989%  kept
        T QD    LYS+  33 - QE    LYS+  65  15.72 +/- 3.14   0.753% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.005%
          HD2   LYS+  74 - QE    LYS+  65   9.61 +/- 3.58   3.954% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65  10.05 +/- 2.45   1.438% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - QE    LYS+  33  23.28 +/- 6.95   0.524% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HB2   ASP-  76   7.14 +/- 1.86   6.088% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HB2   ASP-  76  16.86 +/- 2.65   0.320% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  21.77 +/- 2.28   0.083% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.44 +/- 4.18   0.041% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  16.15 +/- 3.57   0.401% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.68 +/- 2.29   0.342% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.07 +/- 2.90   0.209% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  22.90 +/- 3.57   0.084% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  13.93 +/- 4.12   0.750% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.92 +/- 3.48   0.556% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  24.75 +/- 4.41   0.166% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  25.47 +/- 3.29   0.063% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  18.08 +/- 3.91   0.334% *  0.0029% (0.03   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 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 = 0.802, support = 1.93, residual support = 25.0:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.02  72.189% * 97.7353% (0.80  10.0 10.00   1.93  25.11) =  99.593%  kept
          QG2   THR   39 - HA    ALA   34   4.99 +/- 1.62  16.870% *  1.6657% (0.25   1.0  1.00   1.10   6.44) =   0.397%  kept
        T QB    ALA   34 - HA    ALA  124  19.64 +/- 7.16   1.772% *  0.2244% (0.18   1.0 10.00   0.02   0.02) =   0.006%
          QG2   THR   77 - HA    ALA   34  16.88 +/- 3.66   5.551% *  0.0243% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HA    ALA   34   7.41 +/- 0.84   2.165% *  0.0573% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   23 - HA    ALA   34  14.70 +/- 1.16   0.235% *  0.1080% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.29 +/- 2.46   0.110% *  0.0791% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  14.70 +/- 2.20   0.283% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  24.38 +/- 5.65   0.103% *  0.0248% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  26.10 +/- 8.95   0.164% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  22.08 +/- 1.62   0.070% *  0.0303% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  19.45 +/- 6.44   0.303% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  21.56 +/- 3.45   0.120% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  22.83 +/- 2.58   0.065% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.1:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.02  85.945% * 98.8230% (0.80  10.0 10.00   1.93  25.11) =  99.973%  kept
        T HA    ALA  124 - QB    ALA   34  19.64 +/- 7.16   2.216% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.017%
          HA1   GLY  101 - QB    ALA   34  10.83 +/- 4.32   4.663% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HA    ASN   28 - QB    ALA   34   6.87 +/- 0.41   2.639% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  36 - QB    ALA   34   6.63 +/- 0.13   2.856% *  0.0170% (0.14   1.0  1.00   0.02   0.36) =   0.001%
          HA    THR   26 - QB    ALA   34   9.61 +/- 0.83   1.004% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  18.12 +/- 2.53   0.175% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  19.93 +/- 3.05   0.172% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  21.25 +/- 2.80   0.105% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  18.01 +/- 3.26   0.225% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 0.999, support = 4.02, residual support = 54.6:
    * O T HB2   ASN   35 - HA    ASN   35   2.62 +/- 0.12  75.897% * 98.4270% (1.00  10.0 10.00   4.02  54.62) =  99.948%  kept
        T HB2   ASN   35 - HA    LEU   40  10.02 +/- 1.94   8.435% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.042%
        T HB2   ASN   28 - HA    ASN   35  13.19 +/- 0.99   0.658% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.004%
          QE    LYS+  33 - HA    ASN   35   7.78 +/- 1.17   3.900% *  0.0336% (0.34   1.0  1.00   0.02   5.21) =   0.002%
        T HB2   ASN   35 - HA    GLU-  15  16.08 +/- 2.23   0.423% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    GLU-  15  17.08 +/- 3.83   0.868% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LEU   40  15.39 +/- 1.60   0.421% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    LEU   40  10.35 +/- 1.81   1.737% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15  10.03 +/- 2.84   3.483% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  21.78 +/- 4.81   0.213% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  20.27 +/- 2.72   0.225% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  18.06 +/- 2.82   0.293% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  14.98 +/- 3.53   0.796% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.15 +/- 1.28   0.355% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.33 +/- 3.18   0.617% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  20.97 +/- 3.02   0.196% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  24.55 +/- 5.32   0.274% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  19.91 +/- 2.84   0.203% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  14.98 +/- 2.77   0.509% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  18.61 +/- 2.26   0.265% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  22.67 +/- 3.72   0.230% *  0.0025% (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 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 86.3:
    * O T QB    GLU-  36 - HA    GLU-  36   2.43 +/- 0.16  95.859% * 98.9106% (1.00  10.0 10.00   5.55  86.30) =  99.991%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.11 +/- 1.04   0.857% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          HG3   GLU- 100 - HA    GLU-  36  15.37 +/- 7.62   2.634% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.34 +/- 1.09   0.498% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  25.62 +/- 3.46   0.107% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  32.17 +/- 2.32   0.045% *  0.0679% (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 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   2.69 +/- 0.81  99.119% * 99.8378% (1.00  10.0 10.00   3.62  86.30) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  21.55 +/- 2.97   0.325% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  24.41 +/- 3.10   0.250% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  25.04 +/- 4.71   0.306% *  0.0175% (0.18   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 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.33 +/- 0.38  97.059% * 99.2256% (1.00  10.0 10.00   3.62  86.30) =  99.993%  kept
        T QB    MET   11 - HA    GLU-  36  17.96 +/- 4.72   1.607% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.006%
          HB2   GLU-  79 - HA    GLU-  36  25.46 +/- 3.31   0.323% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.71 +/- 3.20   0.238% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  20.39 +/- 1.13   0.473% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  31.63 +/- 3.41   0.175% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  31.94 +/- 3.94   0.125% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.69 +/- 0.81  98.583% * 99.7630% (1.00  10.0 10.00   3.62  86.30) =  99.999%  kept
          HA    LYS+  81 - HG2   GLU-  36  28.42 +/- 4.70   0.377% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   GLU-  36  28.55 +/- 9.85   0.439% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  22.53 +/- 4.17   0.437% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  31.06 +/- 4.38   0.164% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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   2.44 +/- 0.12  95.829% * 98.9106% (1.00  10.0 10.00   4.28  86.30) =  99.988%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.45 +/- 2.04   1.195% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.011%
          HG3   GLU- 100 - HG2   GLU-  36  16.31 +/- 7.50   2.115% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  13.66 +/- 2.20   0.697% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  25.56 +/- 4.05   0.118% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  32.21 +/- 2.96   0.046% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.3:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.473% * 99.2256% (1.00  10.0 10.00   3.00  86.30) =  99.999%  kept
        T QB    MET   11 - HG2   GLU-  36  17.58 +/- 4.79   0.331% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HG2   GLU-  36  25.40 +/- 3.93   0.047% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  19.74 +/- 2.16   0.078% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  28.16 +/- 3.33   0.030% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  31.82 +/- 3.51   0.022% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  32.18 +/- 3.74   0.019% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.33 +/- 0.38  94.279% * 99.6097% (1.00  10.0 10.00   3.62  86.30) =  99.996%  kept
        T HA    GLU-  36 - QB    MET   11  17.96 +/- 4.72   1.561% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA  124 - HG3   GLU-  36  28.01 +/-10.12   1.009% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG3   GLU-  36  27.93 +/- 4.55   0.449% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  22.12 +/- 4.61   1.354% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  30.40 +/- 4.37   0.196% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  29.42 +/- 4.51   0.206% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  30.72 +/- 7.03   0.229% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  29.48 +/- 4.59   0.220% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  21.32 +/- 3.21   0.497% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.31 +/- 0.14  91.165% * 99.4418% (1.00  10.0  1.00   4.28  86.30) =  99.997%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.89 +/- 1.98   1.261% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HG3   GLU-  36  16.09 +/- 7.38   2.857% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   GLU-  36  13.10 +/- 2.06   0.644% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  24.90 +/- 4.67   0.143% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  25.03 +/- 4.00   0.127% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  15.12 +/- 4.41   0.875% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  17.13 +/- 5.12   0.685% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  18.35 +/- 5.39   0.699% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.81 +/- 8.69   1.468% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  33.94 +/- 4.11   0.035% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  31.74 +/- 2.77   0.041% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.3:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.380% * 99.6937% (1.00  10.0 10.00   3.00  86.30) =  99.999%  kept
        T HG2   GLU-  36 - QB    MET   11  17.58 +/- 4.79   0.331% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  21.51 +/- 2.95   0.066% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  24.27 +/- 3.97   0.054% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  24.84 +/- 4.73   0.046% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  26.87 +/- 5.13   0.048% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  24.64 +/- 2.78   0.043% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  29.06 +/- 5.51   0.032% *  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 = 2.57, residual support = 29.7:
    * O T HB2   SER   37 - HA    SER   37   2.94 +/- 0.07  79.743% * 98.0025% (1.00  10.0 10.00   2.57  29.72) =  99.972%  kept
        T HB2   SER   37 - HA    SER   13  14.79 +/- 4.24   2.598% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.017%
        T HB2   SER   37 - HA    THR   46  23.18 +/- 1.85   0.176% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HA    SER   37  14.29 +/- 5.11   1.763% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HA    SER   37   7.23 +/- 0.98   6.383% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HA    SER   13   9.81 +/- 1.28   2.710% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - HA    SER   37  11.58 +/- 1.92   1.853% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    THR   46  14.67 +/- 1.91   0.766% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  15.72 +/- 3.66   2.268% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  17.34 +/- 1.63   0.446% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  22.01 +/- 4.25   0.248% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  16.13 +/- 2.82   0.672% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  27.79 +/- 3.83   0.122% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.19 +/- 1.95   0.157% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  29.26 +/- 3.93   0.098% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.663, support = 2.34, residual support = 21.4:
    * O T HB3   SER   37 - HA    SER   37   2.67 +/- 0.24  38.164% * 66.6034% (0.84  10.0 10.00   2.57  29.72) =  64.540%  kept
      O T QB    SER   13 - HA    SER   13   2.40 +/- 0.16  50.076% * 27.5640% (0.35  10.0 10.00   1.93   6.19) =  35.047%  kept
          HB    THR   39 - HA    SER   37   5.73 +/- 0.74   4.501% *  3.2685% (0.69   1.0  1.00   1.19   4.04) =   0.374%  kept
        T HB3   SER   37 - HA    SER   13  14.51 +/- 4.33   1.975% *  0.3559% (0.45   1.0 10.00   0.02   0.02) =   0.018%
        T QB    SER   13 - HA    SER   37  13.57 +/- 3.77   1.063% *  0.5158% (0.65   1.0 10.00   0.02   0.02) =   0.014%
          HA    ILE   89 - HA    THR   46   9.64 +/- 2.33   2.158% *  0.0660% (0.83   1.0  1.00   0.02   0.02) =   0.004%
        T QB    SER   13 - HA    THR   46  23.54 +/- 3.61   0.075% *  0.5111% (0.64   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  23.99 +/- 1.98   0.053% *  0.6599% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  15.05 +/- 4.19   1.096% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   46  13.84 +/- 1.77   0.337% *  0.0788% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HA    THR   46  16.16 +/- 2.12   0.189% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  20.94 +/- 2.27   0.083% *  0.0543% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  25.87 +/- 3.80   0.051% *  0.0796% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.34 +/- 2.16   0.037% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  28.84 +/- 3.82   0.036% *  0.0425% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  27.36 +/- 4.13   0.040% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.64 +/- 4.21   0.030% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  28.97 +/- 5.41   0.035% *  0.0145% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 2.57, residual support = 29.7:
    * O T HA    SER   37 - HB2   SER   37   2.94 +/- 0.07  80.393% * 96.9178% (1.00  10.0 10.00   2.57  29.72) =  99.850%  kept
          HA    LEU   40 - HB2   SER   37   7.19 +/- 0.94   7.277% *  1.3113% (0.38   1.0  1.00   0.72   0.58) =   0.122%  kept
        T HA    SER   13 - HB2   SER   37  14.79 +/- 4.24   2.528% *  0.5487% (0.57   1.0 10.00   0.02   0.02) =   0.018%
          HA    GLU-  15 - HB2   SER   37  11.87 +/- 4.50   5.731% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN   17 - HB2   SER   37  14.17 +/- 4.54   2.544% *  0.0969% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HA    THR   46 - HB2   SER   37  23.18 +/- 1.85   0.177% *  0.9606% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB2   SER   37  12.54 +/- 0.82   1.093% *  0.0588% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   SER   37  22.08 +/- 3.38   0.257% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.833, support = 1.99, residual support = 29.4:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  80.574% * 93.3069% (0.84  10.0 10.00   2.00  29.72) =  98.598%  kept
          HB    THR   39 - HB2   SER   37   3.23 +/- 0.65  18.574% *  5.7276% (0.69   1.0  1.00   1.49   4.04) =   1.395%  kept
        T QB    SER   13 - HB2   SER   37  12.93 +/- 3.79   0.745% *  0.7226% (0.65   1.0 10.00   0.02   0.02) =   0.007%
          HB    THR  118 - HB2   SER   37  23.54 +/- 3.61   0.043% *  0.1115% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  24.81 +/- 2.11   0.031% *  0.0933% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  25.14 +/- 3.80   0.034% *  0.0381% (0.34   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 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.663, support = 2.34, residual support = 21.2:
    * O T HA    SER   37 - HB3   SER   37   2.67 +/- 0.24  37.117% * 68.0513% (0.84  10.0 10.00   2.57  29.72) =  63.737%  kept
      O T HA    SER   13 - QB    SER   13   2.40 +/- 0.16  48.686% * 29.4827% (0.36  10.0 10.00   1.93   6.19) =  36.220%  kept
        T HA    SER   13 - HB3   SER   37  14.51 +/- 4.33   1.914% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.019%
        T HA    SER   37 - QB    SER   13  13.57 +/- 3.77   1.031% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.014%
          HA    GLU-  15 - QB    SER   13   6.58 +/- 1.02   3.260% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QB    SER   13   8.95 +/- 1.34   1.169% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   SER   37   8.40 +/- 1.18   1.827% *  0.0255% (0.31   1.0  1.00   0.02   0.58) =   0.001%
          HA    GLN   17 - HB3   SER   37  14.59 +/- 4.18   0.682% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   SER   37  11.97 +/- 4.28   1.190% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QB    SER   13  15.50 +/- 3.98   2.259% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  23.54 +/- 3.61   0.073% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  23.99 +/- 1.98   0.051% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   SER   37  13.56 +/- 1.16   0.311% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  17.59 +/- 3.48   0.250% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  21.11 +/- 3.71   0.105% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.83 +/- 3.41   0.076% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 29.7:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  90.136% * 98.1382% (0.84  10.0 10.00   2.00  29.72) =  99.985%  kept
        T HB2   SER   37 - QB    SER   13  12.93 +/- 3.79   0.835% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.007%
        T HA    VAL   70 - HB3   SER   37  10.38 +/- 2.06   0.703% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.004%
        T HA    VAL   70 - QB    SER   13  14.00 +/- 2.62   0.307% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB3   SER   37   6.47 +/- 1.29   2.989% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    SER   13  13.69 +/- 3.53   3.538% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB3   SER   37  13.12 +/- 5.26   0.680% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    SER   13   9.02 +/- 0.88   0.746% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB3   SER   37  26.26 +/- 3.77   0.034% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  26.12 +/- 3.27   0.032% *  0.0366% (0.31   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 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 = 220.0:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.81 +/- 0.18  82.362% * 99.6880% (1.00  10.0 10.00   6.82 220.04) =  99.994%  kept
        T HB2   LYS+  38 - HA    GLU- 100  12.80 +/- 7.22   5.256% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HA    LYS+  38  15.13 +/- 1.58   0.775% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    LYS+  38  13.09 +/- 1.57   1.453% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    LYS+  38  14.53 +/- 3.31   1.241% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.09 +/- 1.76   1.326% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.10 +/- 1.54   0.311% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  17.37 +/- 6.10   3.788% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  28.65 +/- 2.18   0.090% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  19.23 +/- 5.35   0.591% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  25.03 +/- 4.08   0.751% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  18.13 +/- 4.87   0.672% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.60 +/- 6.08   0.572% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  15.44 +/- 4.17   0.811% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 220.0:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.65 +/- 0.21  73.926% * 98.2125% (1.00  10.0 10.00   5.89 220.04) =  99.983%  kept
        T HB3   LYS+  38 - HA    GLU- 100  12.06 +/- 7.31   7.960% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.007%
          QB    LYS+  33 - HA    LYS+  38   7.60 +/- 1.11   7.737% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.004%
          HB3   GLN   30 - HA    LYS+  38  11.19 +/- 1.27   1.198% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HA    LYS+  38  16.04 +/- 2.55   0.456% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HA    LYS+  38  23.86 +/- 4.29   0.150% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - HA    LYS+  38  28.73 +/- 4.29   0.086% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  18.68 +/- 2.19   0.244% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  24.21 +/- 3.49   0.189% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  24.57 +/- 2.61   0.108% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.73 +/- 3.11   0.115% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  18.48 +/- 2.92   0.259% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  18.15 +/- 3.50   0.320% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  25.04 +/- 3.96   0.137% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  15.25 +/- 4.23   0.934% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  27.95 +/- 2.14   0.076% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  13.72 +/- 4.63   1.324% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  24.10 +/- 4.14   0.955% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.87 +/- 0.70   0.559% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.61 +/- 0.94   1.255% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.69 +/- 1.28   0.739% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  19.33 +/- 5.77   0.768% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  21.79 +/- 3.13   0.209% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.25 +/- 2.70   0.124% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  24.76 +/- 2.22   0.104% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  29.34 +/- 3.49   0.068% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.979, support = 6.88, residual support = 216.0:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.69 +/- 0.66  54.384% * 93.0706% (1.00  10.0 10.00   6.91 220.04) =  97.776%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.37 +/- 0.48  20.404% *  5.5125% (0.06   1.0 10.00   5.88  39.71) =   2.173%  kept
        T HG2   LYS+  99 - HA    LYS+  38  12.02 +/- 6.72   2.329% *  0.9123% (0.98   1.0 10.00   0.02   0.02) =   0.041%
        T HG2   LYS+  38 - HA    GLU- 100  12.50 +/- 7.15   4.537% *  0.0562% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU   31 - HA    LYS+  38   9.54 +/- 1.25   1.704% *  0.0676% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    LYS+  38  21.17 +/- 7.78   2.608% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    LYS+  38  18.82 +/- 3.82   0.793% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    GLU- 100  13.51 +/- 4.79   5.302% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  21.27 +/- 2.36   0.167% *  0.0777% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  17.81 +/- 2.47   0.268% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  14.39 +/- 3.89   0.754% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  22.60 +/- 4.60   0.176% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.40 +/- 1.05   0.233% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  17.28 +/- 3.33   1.189% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  30.73 +/- 3.09   0.065% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   7.85 +/- 1.53   3.174% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  17.89 +/- 3.29   0.818% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  20.52 +/- 3.54   0.243% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  19.41 +/- 3.63   0.264% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.79 +/- 1.74   0.238% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  21.49 +/- 6.27   0.277% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  28.35 +/- 3.03   0.074% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.10 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.984, support = 6.61, residual support = 203.8:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.36 +/- 0.58  30.905% * 78.6707% (1.00  10.0 10.00   6.86 220.04) =  91.947%  kept
          QG2   THR   39 - HA    LYS+  38   5.36 +/- 0.57   8.776% * 16.4875% (0.90   1.0  1.00   4.67  23.11) =   5.472%  kept
          QB    ALA   34 - HA    LYS+  38   4.13 +/- 0.78  20.643% *  2.4143% (0.80   1.0  1.00   0.77   0.02) =   1.885%  kept
        T HG3   LYS+  99 - HA    GLU- 100   5.22 +/- 0.75   9.594% *  1.7841% (0.02   1.0 10.00   4.97  39.71) =   0.647%  kept
        T HG3   LYS+  99 - HA    LYS+  38  12.68 +/- 6.25   2.968% *  0.2953% (0.38   1.0 10.00   0.02   0.02) =   0.033%
        T HG3   LYS+  38 - HA    GLU- 100  12.96 +/- 7.41   4.140% *  0.0475% (0.06   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   71 - HA    LYS+  38   9.48 +/- 2.75   4.142% *  0.0243% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   34 - HA    GLU- 100   9.65 +/- 4.76   8.617% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HA    LYS+  38  13.04 +/- 2.59   0.687% *  0.0445% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    GLU- 100  10.40 +/- 5.45   4.255% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    LYS+  38  20.88 +/- 2.62   0.145% *  0.0744% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.54 +/- 2.02   0.115% *  0.0706% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  17.69 +/- 1.34   0.218% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  18.58 +/- 2.37   0.211% *  0.0268% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  19.10 +/- 5.47   2.395% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  16.97 +/- 4.95   0.601% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.25 +/- 2.72   0.307% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  15.23 +/- 5.48   0.795% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  21.02 +/- 2.19   0.146% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  19.30 +/- 3.47   0.341% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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   3.42 +/- 0.66  66.473% * 97.0123% (1.00 10.00   6.00 220.04) =  99.961%  kept
        T QD    LYS+  38 - HA    GLU- 100  11.06 +/- 6.41  14.042% *  0.0586% (0.06 10.00   0.02   0.02) =   0.013%
        T QD    LYS+  65 - HA    LYS+  38  18.78 +/- 2.43   0.783% *  0.8955% (0.92 10.00   0.02   0.02) =   0.011%
        T HB    VAL   83 - HA    LYS+  38  21.55 +/- 3.70   0.392% *  0.9362% (0.97 10.00   0.02   0.02) =   0.006%
        T HD2   LYS+  74 - HA    LYS+  38  18.78 +/- 1.54   0.522% *  0.3309% (0.34 10.00   0.02   0.02) =   0.003%
          HB2   LEU  123 - HA    LYS+  38  24.39 +/- 7.36   2.116% *  0.0549% (0.57  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    LYS+  38  16.29 +/- 4.66   1.423% *  0.0777% (0.80  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    GLU- 100   8.05 +/- 1.20   9.572% *  0.0047% (0.05  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  38  21.84 +/- 5.62   0.510% *  0.0870% (0.90  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  38  31.10 +/- 3.48   0.141% *  0.2994% (0.31 10.00   0.02   0.02) =   0.001%
        T HB    VAL   83 - HA    GLU- 100  18.74 +/- 2.59   0.597% *  0.0566% (0.06 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HA    GLU- 100  20.41 +/- 3.08   0.526% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  19.78 +/- 3.52   0.968% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.12 +/- 3.05   0.188% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  26.77 +/- 3.08   0.167% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  19.89 +/- 6.04   0.677% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  28.66 +/- 3.18   0.153% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  24.31 +/- 5.96   0.369% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.10 +/- 3.11   0.198% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.56 +/- 2.70   0.183% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.11 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   2.81 +/- 0.18  93.415% * 99.6785% (1.00  10.0 10.00   6.82 220.04) =  99.986%  kept
        T HA    GLU- 100 - HB2   LYS+  38  12.80 +/- 7.22   5.954% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.014%
          HA    VAL   24 - HB2   LYS+  38  19.47 +/- 1.75   0.315% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  24.55 +/- 3.84   0.179% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  26.83 +/- 3.78   0.137% *  0.0154% (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 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 = 220.0:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  98.059% * 98.9214% (1.00  10.0 10.00   5.60 220.04) =  99.999%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.75 +/- 0.98   1.134% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.32 +/- 1.35   0.250% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  30.25 +/- 2.12   0.021% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  20.59 +/- 2.16   0.066% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  25.58 +/- 4.47   0.049% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  16.84 +/- 2.48   0.141% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  26.53 +/- 2.85   0.032% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  30.00 +/- 3.19   0.029% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  26.22 +/- 3.42   0.042% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  20.42 +/- 3.04   0.073% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  20.15 +/- 3.57   0.081% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  30.67 +/- 4.68   0.024% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 220.0:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.66 +/- 0.15  92.167% * 98.5858% (1.00  10.0 10.00   6.61 220.04) =  99.974%  kept
        T HG2   LYS+  99 - HB2   LYS+  38  13.57 +/- 7.05   2.198% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.023%
          HB2   LEU   31 - HB2   LYS+  38  11.73 +/- 1.68   1.555% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB2   LYS+  38  22.05 +/- 7.97   1.851% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  20.62 +/- 3.83   0.806% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  23.13 +/- 2.39   0.152% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.64 +/- 2.45   0.281% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  24.85 +/- 4.38   0.185% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  16.56 +/- 4.06   0.536% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.61 +/- 1.00   0.209% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  32.84 +/- 3.11   0.060% *  0.0789% (0.80   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 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 6.01, residual support = 215.7:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.57 +/- 0.35  79.030% * 81.9462% (1.00  10.0 10.00   6.06 220.04) =  97.839%  kept
          QG2   THR   39 - HB2   LYS+  38   5.99 +/- 0.73   8.374% * 15.0694% (0.90   1.0  1.00   4.10  23.11) =   1.906%  kept
          QB    ALA   34 - HB2   LYS+  38   6.20 +/- 0.89   6.789% *  2.3895% (0.80   1.0  1.00   0.73   0.02) =   0.245%  kept
        T HG3   LYS+  99 - HB2   LYS+  38  14.12 +/- 6.62   1.569% *  0.3076% (0.38   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   71 - HB2   LYS+  38  10.64 +/- 2.83   2.809% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  38  14.63 +/- 2.85   0.745% *  0.0464% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  38  22.54 +/- 2.72   0.151% *  0.0775% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  19.32 +/- 1.45   0.232% *  0.0367% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.44 +/- 2.09   0.102% *  0.0735% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  20.61 +/- 2.35   0.198% *  0.0280% (0.34   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 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 220.0:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.65 +/- 0.21  89.798% * 99.5407% (1.00  10.0 10.00   5.89 220.04) =  99.976%  kept
        T HA    GLU- 100 - HB3   LYS+  38  12.06 +/- 7.31   9.622% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.024%
        T HD2   PRO   58 - HB3   LYS+  38  25.99 +/- 3.99   0.126% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HB3   LYS+  38  19.32 +/- 1.96   0.293% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  23.85 +/- 3.71   0.160% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 220.0:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  98.702% * 99.2933% (1.00  10.0 10.00   5.60 220.04) =  99.999%  kept
          HG3   GLU-  29 - HB3   LYS+  38  17.26 +/- 2.27   0.212% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  15.27 +/- 2.15   0.374% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  30.09 +/- 2.27   0.022% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  15.39 +/- 3.50   0.300% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   LYS+  38  12.84 +/- 1.62   0.318% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  21.21 +/- 2.18   0.073% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.00 +/- 0.06  86.216% * 98.5858% (1.00  10.0 10.00   5.64 220.04) =  99.932%  kept
        T HG2   LYS+  99 - HB3   LYS+  38  12.62 +/- 7.22   5.612% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.064%
          HB2   LEU   31 - HB3   LYS+  38  11.74 +/- 1.65   1.934% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HB3   LYS+  38  21.43 +/- 8.15   2.981% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HB3   LYS+  38  20.03 +/- 3.70   1.037% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   LYS+  38  22.37 +/- 2.32   0.240% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  18.83 +/- 2.38   0.435% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  24.25 +/- 4.20   0.266% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  15.73 +/- 4.02   0.890% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  19.82 +/- 1.10   0.310% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  31.82 +/- 3.13   0.079% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 5.46, residual support = 215.9:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.65 +/- 0.16  73.871% * 82.9317% (1.00  10.0 10.00   5.51 220.04) =  97.927%  kept
          QG2   THR   39 - HB3   LYS+  38   5.83 +/- 0.47   7.833% * 14.2650% (0.90   1.0  1.00   3.84  23.11) =   1.786%  kept
          QB    ALA   34 - HB3   LYS+  38   6.11 +/- 0.86  11.098% *  1.4952% (0.80   1.0  1.00   0.45   0.02) =   0.265%  kept
        T HG3   LYS+  99 - HB3   LYS+  38  13.17 +/- 6.75   3.587% *  0.3113% (0.38   1.0 10.00   0.02   0.02) =   0.018%
        T QG2   ILE   56 - HB3   LYS+  38  21.80 +/- 2.86   0.167% *  0.7845% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB3   LYS+  38  10.36 +/- 2.63   2.323% *  0.0256% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB3   LYS+  38  14.63 +/- 2.96   0.609% *  0.0470% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.68 +/- 2.20   0.105% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  19.42 +/- 1.66   0.206% *  0.0372% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  20.15 +/- 2.38   0.201% *  0.0283% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 220.0:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.32 +/- 0.32  97.853% * 98.0597% (1.00  10.0 10.00   4.63 220.04) =  99.996%  kept
        T QD    LYS+  65 - HB3   LYS+  38  19.62 +/- 2.28   0.214% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HB3   LYS+  38  20.27 +/- 1.65   0.178% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB3   LYS+  38  17.01 +/- 5.05   0.527% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  24.97 +/- 7.73   0.480% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  22.61 +/- 5.67   0.231% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  32.15 +/- 3.61   0.049% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  23.16 +/- 3.43   0.150% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  27.39 +/- 3.21   0.129% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.08 +/- 3.24   0.188% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.979, support = 6.89, residual support = 216.0:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.69 +/- 0.66  65.227% * 93.7297% (1.00  10.0 10.00   6.91 220.04) =  97.748%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.37 +/- 0.48  24.435% *  5.6871% (0.06   1.0 10.00   5.88  39.71) =   2.222%  kept
        T HA    GLU- 100 - HG2   LYS+  38  12.50 +/- 7.15   5.409% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.018%
        T HA    LYS+  38 - HG2   LYS+  99  12.02 +/- 6.72   2.786% *  0.2554% (0.27   1.0 10.00   0.02   0.02) =   0.011%
          HA    VAL   24 - HG2   LYS+  99  19.12 +/- 4.43   1.003% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  38  18.96 +/- 2.22   0.241% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  19.43 +/- 2.85   0.468% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  24.15 +/- 3.87   0.126% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  26.53 +/- 4.06   0.137% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  23.27 +/- 3.35   0.168% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 220.0:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.66 +/- 0.15  86.175% * 99.4277% (1.00  10.0 10.00   6.61 220.04) =  99.991%  kept
        T HB2   LYS+  38 - HG2   LYS+  99  13.57 +/- 7.05   2.058% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.007%
          HG3   GLU-  29 - HG2   LYS+  38  16.28 +/- 1.92   0.480% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  16.68 +/- 5.59   4.953% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  15.31 +/- 3.35   1.237% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  14.19 +/- 1.73   0.796% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.39 +/- 2.18   0.971% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  24.78 +/- 4.22   0.654% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  20.43 +/- 2.13   0.224% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  13.56 +/- 5.01   1.408% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.40 +/- 4.11   0.277% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  22.47 +/- 5.04   0.394% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  30.46 +/- 2.30   0.062% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  19.17 +/- 3.78   0.309% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 220.0:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.00 +/- 0.06  66.547% * 98.9095% (1.00  10.0 10.00   5.64 220.04) =  99.972%  kept
        T HB3   LYS+  38 - HG2   LYS+  99  12.62 +/- 7.22   4.380% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.018%
          QB    LYS+  33 - HG2   LYS+  38   8.57 +/- 1.24   7.515% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.005%
          HB3   GLN   30 - HG2   LYS+  38  12.87 +/- 1.65   1.195% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - HG2   LYS+  99  17.12 +/- 6.85   7.010% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG2   LYS+  99  14.31 +/- 4.71   2.935% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  11.06 +/- 1.52   2.510% *  0.0083% (0.08   1.0  1.00   0.02   0.39) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  15.64 +/- 3.26   0.658% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  23.90 +/- 4.21   1.265% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.52 +/- 0.84   0.973% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  20.30 +/- 2.31   0.239% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.28 +/- 0.90   1.864% *  0.0067% (0.07   1.0  1.00   0.02   0.53) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  16.66 +/- 2.76   0.564% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  25.38 +/- 4.76   0.188% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  26.14 +/- 3.14   0.122% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  25.90 +/- 3.34   0.157% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  29.53 +/- 3.39   0.106% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  20.05 +/- 3.04   0.271% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  19.77 +/- 3.64   0.319% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  22.39 +/- 4.49   0.312% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.31 +/- 2.51   0.188% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.16 +/- 2.56   0.165% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  29.76 +/- 2.22   0.076% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  22.20 +/- 3.20   0.232% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  30.28 +/- 4.72   0.088% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  27.29 +/- 3.80   0.120% *  0.0075% (0.08   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 368 (1.32, 1.32, 25.69 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  38 - HG2   LYS+  38  (1.00)  kept
          HG2   LYS+  99 - HG2   LYS+  99  (0.27)  kept
 
    Peak 369 (1.26, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.916, support = 6.53, residual support = 213.9:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  44.558% * 75.4534% (1.00  10.0 10.00   6.55 220.04) =  89.832%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  44.558% *  7.7177% (0.10  10.0 10.00   6.59 174.65) =   9.188%  kept
          QG2   THR   39 - HG2   LYS+  38   6.36 +/- 1.43   2.135% * 14.3134% (0.90   1.0  1.00   4.23  23.11) =   0.817%  kept
          QB    ALA   34 - HG2   LYS+  38   5.90 +/- 1.17   4.279% *  1.3603% (0.80   1.0  1.00   0.45   0.02) =   0.156%  kept
        T HG3   LYS+  99 - HG2   LYS+  38  13.93 +/- 6.44   0.372% *  0.2832% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  38 - HG2   LYS+  99  13.62 +/- 7.25   0.467% *  0.2056% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   39 - HG2   LYS+  99  10.46 +/- 5.47   1.037% *  0.0184% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HG2   LYS+  99  10.11 +/- 4.55   0.798% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  10.82 +/- 2.72   0.480% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  20.33 +/- 2.87   0.042% *  0.2574% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  19.34 +/- 4.80   0.649% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  14.39 +/- 2.87   0.121% *  0.0427% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  18.71 +/- 2.81   0.061% *  0.0701% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.21 +/- 3.04   0.029% *  0.0714% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  18.89 +/- 1.77   0.040% *  0.0338% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  20.44 +/- 2.76   0.067% *  0.0184% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.01 +/- 2.11   0.018% *  0.0677% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.55 +/- 4.16   0.088% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  14.46 +/- 5.68   0.159% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  19.09 +/- 2.48   0.041% *  0.0195% (0.26   1.0  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 = 219.9:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.34 +/- 0.16  83.650% * 96.4250% (1.00  10.0 10.00   5.75 220.04) =  99.952%  kept
        T QD    LYS+  38 - HG2   LYS+  99  11.60 +/- 6.34   9.749% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.032%
        T QD    LYS+ 102 - HG2   LYS+  99   8.70 +/- 1.39   2.794% *  0.2104% (0.22   1.0 10.00   0.02   1.38) =   0.007%
        T QD    LYS+ 102 - HG2   LYS+  38  17.33 +/- 4.91   0.386% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HG2   LYS+  38  19.93 +/- 2.81   0.199% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+  99  18.63 +/- 3.17   0.264% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG2   LYS+  38  20.48 +/- 2.19   0.171% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG2   LYS+  99  19.15 +/- 3.09   0.479% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HG2   LYS+  38  25.77 +/- 7.44   0.482% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  23.45 +/- 5.58   0.148% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  16.86 +/- 6.23   0.493% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  32.84 +/- 3.82   0.037% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  23.48 +/- 3.60   0.110% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  19.20 +/- 2.92   0.317% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  26.51 +/- 3.46   0.072% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  21.11 +/- 6.36   0.280% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  27.92 +/- 3.50   0.067% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.56 +/- 2.83   0.143% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  28.57 +/- 3.31   0.064% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.36 +/- 2.41   0.097% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 6.84, residual support = 218.4:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.36 +/- 0.58  60.480% * 97.3136% (1.00  10.0 10.00   6.86 220.04) =  99.103%  kept
        T HA    GLU- 100 - HG3   LYS+  99   5.22 +/- 0.75  22.531% *  2.2608% (0.02   1.0 10.00   4.97  39.71) =   0.858%  kept
        T HA    GLU- 100 - HG3   LYS+  38  12.96 +/- 7.41   7.656% *  0.2167% (0.22   1.0 10.00   0.02   0.02) =   0.028%
        T HA    LYS+  38 - HG3   LYS+  99  12.68 +/- 6.25   6.432% *  0.1015% (0.10   1.0 10.00   0.02   0.02) =   0.011%
          HA    VAL   24 - HG3   LYS+  38  19.76 +/- 2.44   0.432% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  19.59 +/- 4.34   1.267% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  24.81 +/- 3.98   0.199% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  26.92 +/- 4.18   0.199% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  19.64 +/- 2.83   0.528% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  22.90 +/- 3.52   0.274% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.05 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 220.0:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.57 +/- 0.35  89.141% * 99.6340% (1.00  10.0 10.00   6.06 220.04) =  99.996%  kept
        T HB2   LYS+  38 - HG3   LYS+  99  14.12 +/- 6.62   1.767% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HG3   LYS+  38  15.11 +/- 2.18   1.706% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   LYS+  38  17.16 +/- 2.35   0.798% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG3   LYS+  38  13.75 +/- 1.99   0.891% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  15.86 +/- 3.05   0.622% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.29 +/- 2.55   0.280% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  24.76 +/- 4.46   1.171% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  31.04 +/- 2.49   0.065% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.08 +/- 5.33   1.243% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  13.64 +/- 4.90   1.544% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  21.04 +/- 3.86   0.224% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.03 +/- 4.95   0.288% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  19.83 +/- 3.50   0.260% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 220.0:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.65 +/- 0.16  65.105% * 98.2474% (1.00  10.0 10.00   5.51 220.04) =  99.986%  kept
        T HB3   LYS+  38 - HG3   LYS+  99  13.17 +/- 6.75   3.212% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  33 - HG3   LYS+  38   9.46 +/- 1.63   8.037% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.005%
        T HB    ILE   56 - HG3   LYS+  38  26.55 +/- 3.23   0.080% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  38  13.78 +/- 1.83   0.617% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  99  17.04 +/- 7.23  12.443% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  21.98 +/- 2.66   0.132% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  20.71 +/- 2.41   0.156% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  16.75 +/- 2.68   0.389% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.45 +/- 1.63   2.668% *  0.0032% (0.03   1.0  1.00   0.02   0.39) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  25.72 +/- 4.91   0.131% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  14.92 +/- 4.53   1.523% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  23.87 +/- 4.45   1.203% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  20.44 +/- 3.10   0.183% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  30.01 +/- 3.36   0.063% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  20.25 +/- 3.90   0.205% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.01 +/- 1.23   1.958% *  0.0026% (0.03   1.0  1.00   0.02   0.53) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.19 +/- 1.03   0.776% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  26.50 +/- 3.38   0.085% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  16.24 +/- 2.85   0.366% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  30.35 +/- 2.35   0.047% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  30.71 +/- 4.96   0.056% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  21.96 +/- 4.60   0.218% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  25.08 +/- 2.92   0.120% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  22.40 +/- 3.34   0.147% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  27.14 +/- 4.05   0.081% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.56, residual support = 215.8:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  48.461% * 89.3736% (1.00  10.0 10.00   6.55 220.04) =  90.711%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  48.461% *  9.1415% (0.10  10.0 10.00   6.59 174.65) =   9.278%  kept
        T HG2   LYS+  99 - HG3   LYS+  38  13.62 +/- 7.25   0.507% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  38 - HG3   LYS+  99  13.93 +/- 6.44   0.404% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  38  11.99 +/- 2.25   0.340% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  20.90 +/- 3.77   0.108% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  22.18 +/- 7.82   0.142% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.65 +/- 2.81   0.045% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  23.17 +/- 2.47   0.024% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  25.86 +/- 3.56   0.020% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.21 +/- 4.55   0.027% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.41 +/- 2.99   0.155% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  16.81 +/- 4.05   0.084% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  15.12 +/- 3.70   0.158% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.14 +/- 1.17   0.657% *  0.0014% (0.02   1.0  1.00   0.02  17.51) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.84 +/- 1.52   0.030% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  32.89 +/- 3.27   0.008% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  17.47 +/- 3.16   0.082% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.16 +/- 3.96   0.082% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  18.18 +/- 6.51   0.110% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  21.18 +/- 3.64   0.041% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.53 +/- 1.82   0.054% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 220.0:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.38 +/- 0.15  84.024% * 97.6899% (1.00  10.0 10.00   5.56 220.04) =  99.981%  kept
        T QD    LYS+  38 - HG3   LYS+  99  12.09 +/- 5.91   8.917% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.011%
        T QD    LYS+ 102 - HG3   LYS+  99   8.48 +/- 1.69   3.160% *  0.0816% (0.08   1.0 10.00   0.02   1.38) =   0.003%
        T QD    LYS+  65 - HG3   LYS+  38  20.23 +/- 2.75   0.187% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HG3   LYS+  38  17.72 +/- 5.27   0.572% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG3   LYS+  38  21.12 +/- 2.10   0.134% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  99  18.60 +/- 3.22   0.357% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  25.97 +/- 7.37   0.256% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.39 +/- 3.22   0.394% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  33.22 +/- 3.60   0.039% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  23.70 +/- 5.41   0.133% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  24.15 +/- 3.76   0.101% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  16.16 +/- 6.26   0.627% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  28.39 +/- 3.24   0.060% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  26.09 +/- 3.62   0.093% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  19.41 +/- 2.94   0.216% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  20.50 +/- 6.37   0.316% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.04 +/- 3.26   0.066% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.38 +/- 3.22   0.221% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.28 +/- 2.79   0.128% *  0.0023% (0.02   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 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   3.42 +/- 0.66  63.279% * 98.6212% (1.00 10.00   6.00 220.04) =  99.940%  kept
        T HA    GLU- 100 - QD    LYS+  38  11.06 +/- 6.41  13.304% *  0.2196% (0.22 10.00   0.02   0.02) =   0.047%
        T HA    LYS+  38 - QD    LYS+  65  18.78 +/- 2.43   0.746% *  0.1802% (0.18 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HD2   LYS+  74  10.82 +/- 2.83   7.696% *  0.0140% (0.14  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HD2   LYS+  74  18.78 +/- 1.54   0.495% *  0.2163% (0.22 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - QD    LYS+  65  11.24 +/- 2.06   2.706% *  0.0278% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - HD2   LYS+  74  14.73 +/- 3.28   1.506% *  0.0428% (0.04 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  38  21.92 +/- 3.62   0.305% *  0.1952% (0.20 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  65  18.87 +/- 4.01   1.630% *  0.0357% (0.04 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  38  23.86 +/- 4.12   0.349% *  0.1522% (0.15 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  38  17.80 +/- 2.29   0.666% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HD2   LYS+  74  19.78 +/- 3.52   0.858% *  0.0481% (0.05 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HD2   LYS+  74  15.43 +/- 3.13   1.126% *  0.0334% (0.03 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  65  15.09 +/- 4.37   2.784% *  0.0117% (0.12  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - QD    LYS+  65  20.41 +/- 3.08   0.499% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  31.10 +/- 3.48   0.135% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  28.66 +/- 3.18   0.145% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  15.43 +/- 2.30   1.185% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  27.01 +/- 4.20   0.208% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  22.52 +/- 3.35   0.377% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 220.0:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.97 +/- 0.47  60.420% * 99.6020% (1.00  10.0   5.23 220.04) =  99.994%  kept
          QG    GLN   17 - HD2   LYS+  74  10.96 +/- 4.82   8.632% *  0.0054% (0.05   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - QD    LYS+  38  15.84 +/- 2.14   0.580% *  0.0723% (0.73   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - QD    LYS+  38  12.30 +/- 1.93   2.105% *  0.0197% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QD    LYS+  65  18.05 +/- 4.59   6.140% *  0.0062% (0.06   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    LYS+  65  10.16 +/- 4.18   7.378% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    LYS+  38  14.42 +/- 3.06   1.196% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  14.13 +/- 1.92   0.827% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  18.79 +/- 4.64   1.530% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  19.37 +/- 2.32   0.318% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.30 +/- 2.70   0.667% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  14.84 +/- 3.32   1.361% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65   9.69 +/- 0.80   2.205% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  11.37 +/- 2.12   1.689% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  27.49 +/- 2.54   0.136% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  18.05 +/- 4.95   1.077% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  20.50 +/- 4.79   0.617% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.14 +/- 2.45   0.288% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.00 +/- 2.67   0.699% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  20.67 +/- 1.69   0.224% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  19.25 +/- 3.62   0.356% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  16.31 +/- 4.51   0.818% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  23.40 +/- 4.04   0.344% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  33.20 +/- 3.56   0.059% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  32.79 +/- 4.19   0.063% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  26.51 +/- 3.32   0.128% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  31.74 +/- 4.51   0.074% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.48 +/- 4.18   0.067% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 220.0:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.32 +/- 0.32  66.899% * 98.4611% (1.00  10.0 10.00   4.63 220.04) =  99.990%  kept
        T QB    LYS+ 106 - HD2   LYS+ 111  12.79 +/- 2.74   3.438% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - QD    LYS+  38   9.22 +/- 1.17   2.944% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - QD    LYS+  38  12.71 +/- 1.44   0.514% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+  65  16.11 +/- 3.72   5.762% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  14.85 +/- 1.23   0.309% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  20.27 +/- 1.65   0.120% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  19.62 +/- 2.28   0.144% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65  10.30 +/- 3.33   1.788% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.46 +/- 2.09   0.955% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  26.61 +/- 3.59   0.183% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  11.67 +/- 3.77   2.272% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  11.73 +/- 1.65   0.808% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  18.09 +/- 2.09   0.182% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  14.38 +/- 2.96   0.603% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  22.79 +/- 4.68   0.158% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  15.37 +/- 2.61   0.457% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  15.93 +/- 3.27   1.134% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  23.54 +/- 3.28   0.086% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  15.11 +/- 2.62   0.370% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  16.87 +/- 4.30   0.500% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  17.52 +/- 3.36   0.282% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  15.64 +/- 2.66   0.624% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  17.75 +/- 2.92   0.220% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  13.78 +/- 2.31   0.541% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  15.51 +/- 3.46   0.463% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  17.31 +/- 4.05   0.550% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  23.59 +/- 3.00   0.100% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  13.98 +/- 3.52   1.042% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  16.97 +/- 3.98   0.285% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  13.37 +/- 3.03   0.700% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  26.86 +/- 2.46   0.085% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65  10.47 +/- 1.51   1.015% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  15.72 +/- 1.92   0.293% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  32.15 +/- 3.61   0.033% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  15.63 +/- 2.92   0.429% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  20.49 +/- 4.76   0.235% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  19.00 +/- 3.74   0.192% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  16.89 +/- 3.23   0.292% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  27.27 +/- 4.68   0.064% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  17.69 +/- 2.81   0.220% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  16.25 +/- 4.49   0.400% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  19.90 +/- 3.66   0.281% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.09 +/- 3.44   0.234% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.75 +/- 3.24   0.543% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  17.21 +/- 2.68   0.229% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  16.57 +/- 2.98   0.369% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  20.49 +/- 3.78   0.167% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  27.75 +/- 3.73   0.065% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  20.75 +/- 2.59   0.187% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  26.70 +/- 5.07   0.178% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.55 +/- 4.01   0.054% *  0.0030% (0.03   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 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.97, support = 5.76, residual support = 222.8:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.34 +/- 0.16  44.228% * 91.2181% (1.00  10.0 10.00   5.75 220.04) =  96.679%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.87 +/- 0.15  24.247% *  5.4974% (0.06  10.0 10.00   6.21 315.14) =   3.194%  kept
        T HG2   LYS+  99 - QD    LYS+  38  11.60 +/- 6.34   5.458% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.117%  kept
          HB2   LEU   31 - QD    LYS+  38  11.01 +/- 1.93   0.848% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - HD2   LYS+  74  19.15 +/- 3.09   0.242% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+  65   9.71 +/- 3.14   7.768% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  18.63 +/- 3.17   0.140% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+  65  10.43 +/- 3.74   2.840% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  38  29.04 +/- 3.20   0.026% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+  74   8.29 +/- 3.41   2.541% *  0.0068% (0.07   1.0  1.00   0.02   5.10) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  20.48 +/- 2.19   0.086% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  19.93 +/- 2.81   0.100% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  10.48 +/- 2.97   1.769% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  18.57 +/- 3.52   0.383% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  19.64 +/- 7.33   0.725% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   8.58 +/- 1.96   1.592% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.48 +/- 0.86   1.621% *  0.0075% (0.08   1.0  1.00   0.02   3.44) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  22.41 +/- 3.73   0.075% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  19.88 +/- 2.85   0.089% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  11.73 +/- 2.86   0.856% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.55 +/- 2.78   0.179% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.36 +/- 2.27   0.078% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.45 +/- 3.99   0.097% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  16.38 +/- 3.94   0.447% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  14.65 +/- 3.15   0.248% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  16.47 +/- 2.74   0.196% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.57 +/- 1.59   0.104% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.00 +/- 1.83   0.204% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  26.51 +/- 3.46   0.037% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.02 +/- 3.74   0.175% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.36 +/- 3.34   0.190% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  15.01 +/- 3.23   0.711% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.12 +/- 3.28   0.290% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.84 +/- 3.82   0.018% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.32 +/- 3.09   0.237% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.88 +/- 4.27   0.266% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  18.53 +/- 3.56   0.181% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.84 +/- 3.07   0.194% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.83 +/- 4.05   0.097% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.92 +/- 3.20   0.183% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  22.92 +/- 3.92   0.069% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.57 +/- 3.92   0.029% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.11 +/- 1.62   0.074% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.20 +/- 3.06   0.063% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.955, support = 5.53, residual support = 216.1:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.38 +/- 0.15  42.236% * 78.1213% (1.00  10.0 10.00   5.56 220.04) =  94.172%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.78 +/- 0.19  27.822% *  5.8436% (0.07  10.0 10.00   5.54 186.80) =   4.640%  kept
          QG2   THR   39 - QD    LYS+  38   6.36 +/- 0.80   2.681% * 13.0568% (0.90   1.0  1.00   3.73  23.11) =   0.999%  kept
          QB    ALA   34 - QD    LYS+  38   6.22 +/- 1.13   3.349% *  1.4084% (0.80   1.0  1.00   0.45   0.02) =   0.135%  kept
        T HG3   LYS+  99 - QD    LYS+  38  12.09 +/- 5.91   4.818% *  0.2932% (0.38   1.0 10.00   0.02   0.02) =   0.040%
        T HG2   LYS+  74 - QD    LYS+  65   9.44 +/- 3.60   5.142% *  0.0487% (0.06   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  74 - QD    LYS+  38  18.88 +/- 2.56   0.110% *  0.2665% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.38 +/- 2.07   0.739% *  0.0241% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HD2   LYS+  74  10.08 +/- 3.96   1.564% *  0.0097% (0.12   1.0  1.00   0.02   8.14) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  10.09 +/- 4.00   2.749% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.39 +/- 3.22   0.213% *  0.0643% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  20.23 +/- 2.75   0.089% *  0.1427% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  13.91 +/- 2.66   0.282% *  0.0442% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  10.06 +/- 3.23   1.567% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  21.12 +/- 2.10   0.067% *  0.1713% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  10.07 +/- 1.20   0.668% *  0.0135% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  12.87 +/- 2.61   0.550% *  0.0162% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.60 +/- 3.22   0.163% *  0.0536% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.00 +/- 3.02   0.092% *  0.0739% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  13.51 +/- 2.25   0.495% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  15.50 +/- 3.74   0.428% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.27 +/- 2.08   0.306% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.55 +/- 2.31   0.063% *  0.0701% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.43 +/- 1.06   0.318% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  13.21 +/- 3.73   0.650% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  17.81 +/- 1.79   0.113% *  0.0350% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  13.21 +/- 1.97   0.300% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111  10.92 +/- 2.29   0.669% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.32 +/- 2.10   0.389% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  15.47 +/- 2.82   0.197% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  22.46 +/- 4.11   0.102% *  0.0201% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.65 +/- 1.81   0.363% *  0.0053% (0.07   1.0  1.00   0.02   0.19) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.95 +/- 2.06   0.406% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  33.22 +/- 3.60   0.018% *  0.0588% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  26.09 +/- 3.62   0.047% *  0.0221% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  24.19 +/- 3.43   0.057% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  23.60 +/- 2.86   0.051% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  24.70 +/- 4.09   0.055% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.75 +/- 4.00   0.035% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  28.05 +/- 4.32   0.037% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 36.9:
    * O T HB    THR   39 - HA    THR   39   2.85 +/- 0.21  69.074% * 98.6574% (1.00  10.0 10.00   3.00  36.87) =  99.959%  kept
          QB    SER   13 - HA    THR   39  13.89 +/- 3.99  15.485% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.022%
          HB3   SER   37 - HA    THR   39   5.77 +/- 0.43   9.198% *  0.0952% (0.97   1.0  1.00   0.02   4.04) =   0.013%
        T HB    THR   39 - HA    ILE  103  15.22 +/- 3.61   0.621% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   PRO   52 - HA    THR   39  27.05 +/- 4.42   0.136% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    THR   39  11.10 +/- 1.95   1.591% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HA    ILE  103  23.48 +/- 3.69   0.263% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  14.27 +/- 1.68   0.685% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  17.87 +/- 4.21   0.597% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  14.52 +/- 3.74   0.786% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  22.88 +/- 2.08   0.159% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  21.28 +/- 3.21   0.213% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  24.17 +/- 3.25   0.144% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  18.63 +/- 3.19   0.388% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  22.28 +/- 5.15   0.265% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  17.60 +/- 3.07   0.395% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.87, support = 3.03, residual support = 36.1:
    * O T QG2   THR   39 - HA    THR   39   2.54 +/- 0.31  62.225% * 72.4344% (0.87  10.0 10.00   3.00  36.87) =  95.816%  kept
          HG3   LYS+  38 - HA    THR   39   6.19 +/- 1.03   7.062% * 18.4354% (1.00   1.0  1.00   4.43  23.11) =   2.767%  kept
          QB    ALA   34 - HA    THR   39   5.23 +/- 0.70   9.283% *  7.0672% (0.84   1.0  1.00   2.03   6.44) =   1.395%  kept
          HG    LEU   71 - HA    THR   39   6.98 +/- 2.55  10.265% *  0.0232% (0.28   1.0  1.00   0.02   0.16) =   0.005%
        T QG2   THR   39 - HA    ILE  103  12.80 +/- 2.97   0.899% *  0.2393% (0.29   1.0 10.00   0.02   0.02) =   0.005%
        T QG2   THR   23 - HA    THR   39  17.65 +/- 1.47   0.244% *  0.4065% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    THR   39  21.95 +/- 2.03   0.125% *  0.7243% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    ILE  103  15.58 +/- 1.65   0.327% *  0.2393% (0.29   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HA    ILE  103  18.93 +/- 4.54   0.526% *  0.1343% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    THR   39  11.70 +/- 3.52   1.534% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    THR   39  12.15 +/- 6.64   1.681% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE  103   7.74 +/- 0.84   2.839% *  0.0094% (0.11   1.0  1.00   0.02   0.53) =   0.001%
          QB    ALA   34 - HA    ILE  103  11.92 +/- 2.86   0.845% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  18.92 +/- 2.70   0.220% *  0.0806% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  16.61 +/- 2.12   0.309% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.96 +/- 2.21   0.299% *  0.0266% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  17.99 +/- 4.01   0.241% *  0.0275% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.67 +/- 3.57   0.298% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  16.70 +/- 3.21   0.499% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  16.63 +/- 3.13   0.278% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 36.9:
    * O T HA    THR   39 - HB    THR   39   2.85 +/- 0.21  94.500% * 98.7925% (1.00  10.0 10.00   3.00  36.87) =  99.990%  kept
        T HA    ILE  103 - HB    THR   39  15.22 +/- 3.61   0.862% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.007%
          HA    MET   11 - HB    THR   39  19.65 +/- 5.22   1.840% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB    THR   39  21.36 +/- 4.25   1.115% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB    THR   39  21.53 +/- 2.96   0.371% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  15.47 +/- 1.36   0.637% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  20.86 +/- 3.56   0.320% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  27.51 +/- 4.84   0.173% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  24.25 +/- 2.36   0.182% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.863, support = 2.97, residual support = 32.0:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.01  68.104% * 44.8521% (0.87  10.0 10.00   2.93  36.87) =  83.794%  kept
        T QB    ALA   34 - HB    THR   39   4.68 +/- 1.47  13.187% * 43.1893% (0.84   1.0 10.00   3.14   6.44) =  15.623%  kept
          HG3   LYS+  38 - HB    THR   39   7.53 +/- 0.88   1.891% * 10.9745% (1.00   1.0  1.00   4.25  23.11) =   0.569%  kept
          HG    LEU   71 - HB    THR   39   6.53 +/- 3.18  12.735% *  0.0144% (0.28   1.0  1.00   0.02   0.16) =   0.005%
        T HG3   LYS+  99 - HB    THR   39  12.93 +/- 6.15   0.908% *  0.1764% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HG13  ILE   19 - HB    THR   39  10.47 +/- 4.63   2.585% *  0.0272% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HB    THR   39  16.54 +/- 2.22   0.181% *  0.2517% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HB    THR   39  21.73 +/- 1.87   0.075% *  0.4485% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB    THR   39  18.98 +/- 2.68   0.127% *  0.0499% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  15.77 +/- 1.99   0.207% *  0.0160% (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 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.9:
    * O T HA    THR   39 - QG2   THR   39   2.54 +/- 0.31  76.238% * 96.3159% (0.87  10.0 10.00   3.00  36.87) =  99.967%  kept
        T HA    ILE  103 - QG2   THR   39  12.80 +/- 2.97   1.096% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.010%
        T HA    ILE  103 - QG2   THR   23  18.93 +/- 4.54   0.691% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.004%
        T HB    THR   77 - QG2   THR   23  14.82 +/- 2.16   0.571% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.003%
        T HA    THR   39 - QG2   THR   23  17.65 +/- 1.47   0.309% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QG2   THR   23  11.93 +/- 4.79   2.524% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QB    ALA   91  15.58 +/- 1.65   0.404% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HA    MET   11 - QG2   THR   39  16.63 +/- 4.49   2.087% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    ALA   91  10.28 +/- 4.81   3.394% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA   91  11.62 +/- 3.10   1.735% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    ALA   91  21.95 +/- 2.03   0.158% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   85 - QB    ALA   91   9.10 +/- 1.33   1.983% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   THR   39  17.11 +/- 3.09   0.669% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    ALA   91  10.28 +/- 1.37   1.705% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   39  12.77 +/- 1.01   0.751% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QG2   THR   39  18.04 +/- 3.36   0.567% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  18.28 +/- 2.56   0.324% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  16.90 +/- 4.57   0.734% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  18.78 +/- 4.85   1.135% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  13.71 +/- 2.12   0.614% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  13.80 +/- 2.64   0.744% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  22.60 +/- 4.27   0.227% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  20.52 +/- 4.34   0.312% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.82 +/- 2.00   0.489% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  20.50 +/- 2.10   0.181% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  18.57 +/- 4.78   0.306% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  31.67 +/- 3.80   0.052% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.865, support = 2.9, residual support = 36.4:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.01  57.784% * 90.9710% (0.87  10.0 10.00   2.93  36.87) =  98.500%  kept
          HB3   SER   37 - QG2   THR   39   4.12 +/- 1.02  17.489% *  3.2923% (0.84   1.0  1.00   0.75   4.04) =   1.079%  kept
          HA    ILE   89 - QB    ALA   91   5.06 +/- 0.61   5.273% *  4.0069% (0.40   1.0  1.00   1.93   7.66) =   0.396%  kept
          QB    SER   13 - QG2   THR   39  11.08 +/- 3.43  11.274% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.019%
        T HB    THR   39 - QG2   THR   23  16.54 +/- 2.22   0.157% *  0.5105% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   30 - QG2   THR   39   8.76 +/- 2.73   2.937% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QG2   THR   23  14.58 +/- 6.56   1.074% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QG2   THR   23  13.89 +/- 3.78   0.618% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   39 - QB    ALA   91  21.73 +/- 1.87   0.063% *  0.4296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   91  10.61 +/- 3.40   0.944% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  12.69 +/- 2.64   0.411% *  0.0278% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  18.85 +/- 1.87   0.103% *  0.0878% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.78 +/- 1.16   0.238% *  0.0359% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.83 +/- 0.78   0.665% *  0.0127% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  17.68 +/- 2.48   0.129% *  0.0588% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  19.83 +/- 2.83   0.093% *  0.0760% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  17.09 +/- 1.93   0.138% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  18.65 +/- 3.23   0.117% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  20.53 +/- 3.32   0.098% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  22.10 +/- 4.02   0.092% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  20.38 +/- 4.50   0.154% *  0.0158% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.46 +/- 2.86   0.044% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.31 +/- 2.08   0.044% *  0.0415% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  21.66 +/- 1.46   0.061% *  0.0107% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (1.26, 1.26, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   39 - QG2   THR   39  (0.75)  kept
          QB    ALA   91 - QB    ALA   91  (0.36)  kept
          QG2   THR   23 - QG2   THR   23  (0.24)  kept
 
    Peak 392 (4.40, 4.40, 56.43 ppm):
    3 diagonal assignments:
    *     HA    LEU   40 - HA    LEU   40  (1.00)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.14)  kept
 
    Peak 393 (1.94, 4.40, 56.43 ppm):
    21 chemical-shift based assignments, quality = 0.994, support = 5.28, residual support = 103.8:
    * O T HB2   LEU   40 - HA    LEU   40   2.74 +/- 0.26  65.592% * 93.6831% (1.00  10.0 10.00   5.31 104.88) =  98.998%  kept
          HB3   GLU-  14 - HA    GLU-  15   5.11 +/- 0.72  12.876% *  4.4089% (0.39   1.0  1.00   2.39   1.51) =   0.915%  kept
        T HB2   LEU   40 - HA    GLU-  15  13.36 +/- 3.79   3.560% *  0.7576% (0.81   1.0 10.00   0.02   0.02) =   0.043%
        T HB2   LEU   40 - HA    ASN   35   9.55 +/- 1.73   5.192% *  0.3512% (0.37   1.0 10.00   0.02   0.02) =   0.029%
        T HB2   LEU   67 - HA    GLU-  15  12.80 +/- 4.07   3.173% *  0.1169% (0.12   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU   67 - HA    LEU   40  10.48 +/- 1.91   1.593% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.004%
          HB3   MET   96 - HA    LEU   40  12.64 +/- 2.34   0.932% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    GLU-  15   9.44 +/- 0.63   1.713% *  0.0258% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HA    ASN   35  15.79 +/- 3.35   0.793% *  0.0542% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    LEU   40  15.65 +/- 3.31   0.649% *  0.0456% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  14.38 +/- 3.54   0.797% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.78 +/- 2.01   0.678% *  0.0234% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  20.59 +/- 3.84   0.250% *  0.0607% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  23.75 +/- 4.59   0.209% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  16.27 +/- 2.91   0.692% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  18.37 +/- 2.84   0.295% *  0.0281% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.96 +/- 4.57   0.200% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  26.44 +/- 3.21   0.109% *  0.0460% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  17.57 +/- 2.36   0.323% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  22.64 +/- 5.04   0.298% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  29.43 +/- 4.24   0.074% *  0.0213% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.909, support = 5.54, residual support = 104.8:
    * O T HB3   LEU   40 - HA    LEU   40   2.51 +/- 0.32  50.704% * 70.6117% (1.00  10.0 10.00   5.55 104.88) =  85.538%  kept
      O T HG    LEU   40 - HA    LEU   40   3.40 +/- 0.28  22.757% * 26.5014% (0.38  10.0 10.00   5.51 104.88) =  14.408%  kept
        T HG    LEU   40 - HA    ASN   35  10.47 +/- 1.88   7.085% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   LEU   40 - HA    ASN   35   9.60 +/- 1.50   2.168% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.014%
        T HB3   LEU   40 - HA    GLU-  15  13.83 +/- 3.85   0.814% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.011%
          HG    LEU   67 - HA    GLU-  15  13.11 +/- 4.53   3.896% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HA    GLU-  15  10.63 +/- 3.20   4.987% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU  115 - HA    LEU   40  20.18 +/- 2.08   0.113% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HA    LEU   40  10.40 +/- 2.58   1.429% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HA    LEU   40  19.07 +/- 2.49   0.150% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LEU   40  17.53 +/- 4.94   0.399% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HA    GLU-  15  24.73 +/- 2.47   0.066% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  14.64 +/- 2.10   0.346% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  26.26 +/- 2.61   0.051% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.68 +/- 3.28   0.577% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  14.46 +/- 3.78   0.351% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  15.75 +/- 3.78   0.787% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.07 +/- 1.22   0.425% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  16.94 +/- 6.03   0.655% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  21.98 +/- 4.20   0.140% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  25.14 +/- 3.02   0.064% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  15.43 +/- 4.28   0.468% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  22.13 +/- 5.64   0.199% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.24 +/- 1.45   0.210% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.45 +/- 0.51   0.447% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  25.41 +/- 2.37   0.058% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.20 +/- 1.41   0.149% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  23.63 +/- 4.94   0.161% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  20.91 +/- 3.48   0.168% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  22.62 +/- 6.07   0.176% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.3, residual support = 104.7:
    * O T HA    LEU   40 - HB2   LEU   40   2.74 +/- 0.26  52.866% * 97.5474% (1.00  10.0 10.00   5.31 104.88) =  99.775%  kept
          HA    LYS+  99 - HB2   LEU   40   9.11 +/- 6.30  12.721% *  0.5216% (0.25   1.0  1.00   0.43   9.29) =   0.128%  kept
        T HA    GLU-  15 - HB2   LEU   40  13.36 +/- 3.79   2.905% *  0.9228% (0.95   1.0 10.00   0.02   0.02) =   0.052%
        T HA    ASN   35 - HB2   LEU   40   9.55 +/- 1.73   4.345% *  0.3661% (0.38   1.0 10.00   0.02   0.02) =   0.031%
        T HA    GLU-  15 - HB2   LEU   67  12.80 +/- 4.07   2.534% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LEU   40 - HB2   LEU   67  10.48 +/- 1.91   1.303% *  0.0899% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   LEU   40  18.64 +/- 7.67   1.397% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU   40  17.01 +/- 3.99   0.640% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   LEU   40  10.00 +/- 0.95   1.267% *  0.0366% (0.38   1.0  1.00   0.02   0.58) =   0.001%
          HA    SER   13 - HB2   LEU   40  17.42 +/- 3.73   0.475% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   LEU   67   9.70 +/- 4.85  12.830% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   LEU   40  13.15 +/- 4.00   0.908% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASN   35 - HB2   LEU   67  15.79 +/- 3.35   0.662% *  0.0337% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  18.48 +/- 1.71   0.240% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  19.92 +/- 3.22   0.199% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  16.65 +/- 3.87   0.938% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  13.04 +/- 1.56   0.637% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  16.68 +/- 5.01   1.019% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  14.39 +/- 4.40   0.805% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.84 +/- 2.09   0.476% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  15.38 +/- 2.54   0.420% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.66 +/- 2.52   0.415% *  0.0034% (0.03   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 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 = 0.92, support = 4.34, residual support = 104.2:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  56.506% * 69.9238% (1.00  10.0 10.00   4.27 104.88) =  87.943%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.61 +/- 0.23  18.267% * 26.2432% (0.38  10.0  1.00   4.87 104.88) =  10.670%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.56 +/- 0.27  19.822% *  3.1374% (0.04  10.0  1.00   4.96  59.32) =   1.384%  kept
        T HB3   LEU   40 - HB2   LEU   67   9.60 +/- 1.88   0.578% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU   40   8.74 +/- 2.30   1.059% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU   67   7.96 +/- 1.99   1.131% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HB2   LEU   40  18.72 +/- 2.50   0.058% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  17.15 +/- 4.97   0.158% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  16.88 +/- 2.68   0.098% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  14.56 +/- 2.44   0.149% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  16.01 +/- 2.91   0.143% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  19.80 +/- 2.24   0.047% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  13.63 +/- 1.60   0.139% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  16.68 +/- 5.99   0.183% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.00 +/- 1.38   0.099% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  11.12 +/- 2.42   0.376% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.84 +/- 0.84   0.713% *  0.0014% (0.02   1.0  1.00   0.02   0.34) =   0.000%
          QB    ALA  120 - HB2   LEU   67  15.92 +/- 3.13   0.116% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  13.01 +/- 2.27   0.201% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  16.11 +/- 4.14   0.157% *  0.0011% (0.02   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 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 5.54, residual support = 104.7:
    * O T HA    LEU   40 - HB3   LEU   40   2.51 +/- 0.32  64.596% * 97.4816% (1.00  10.0 10.00   5.55 104.88) =  99.815%  kept
          HA    LYS+  99 - HB3   LEU   40   8.40 +/- 6.51  17.424% *  0.5212% (0.25   1.0  1.00   0.43   9.29) =   0.144%  kept
        T HA    ASN   35 - HB3   LEU   40   9.60 +/- 1.50   3.396% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.020%
        T HA    GLU-  15 - HB3   LEU   40  13.83 +/- 3.85   1.054% *  0.9221% (0.95   1.0 10.00   0.02   0.02) =   0.015%
          HA    SER   13 - HB3   LEU   40  18.05 +/- 4.11   0.974% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LEU   40  18.63 +/- 7.51   1.290% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU   40  16.93 +/- 4.03   0.511% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   LEU   40  10.40 +/- 0.90   1.238% *  0.0366% (0.38   1.0  1.00   0.02   0.58) =   0.001%
          HA    GLN   17 - HB3   LEU   40  13.72 +/- 4.17   0.914% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB3   LEU  115  19.07 +/- 2.49   0.200% *  0.1144% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   7.83 +/- 1.82   4.314% *  0.0047% (0.05   1.0  1.00   0.02   0.10) =   0.000%
          HA    PRO   58 - HB3   LEU  115  10.24 +/- 1.50   1.520% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  18.24 +/- 1.88   0.225% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  24.73 +/- 2.47   0.090% *  0.1082% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  19.76 +/- 3.16   0.207% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.41 +/- 1.40   0.957% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  25.14 +/- 3.02   0.089% *  0.0429% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.58 +/- 1.25   0.495% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  21.13 +/- 2.61   0.170% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  28.73 +/- 3.67   0.064% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  19.08 +/- 2.16   0.201% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  26.88 +/- 3.40   0.071% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 104.9:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  96.896% * 99.4293% (1.00  10.0 10.00   4.27 104.88) =  99.998%  kept
        T HB2   LEU   67 - HB3   LEU   40   9.60 +/- 1.88   0.980% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   96 - HB3   LEU   40  12.89 +/- 2.32   0.326% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  18.72 +/- 2.50   0.099% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  16.04 +/- 3.43   0.219% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.23 +/- 3.80   0.284% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  22.94 +/- 4.78   0.119% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  16.01 +/- 2.91   0.246% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.47 +/- 1.56   0.312% *  0.0093% (0.09   1.0  1.00   0.02   0.11) =   0.000%
          HG3   MET   11 - HB3   LEU   40  24.29 +/- 4.82   0.089% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.14 +/- 1.80   0.276% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  18.65 +/- 2.53   0.100% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  26.49 +/- 3.71   0.036% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  34.96 +/- 4.83   0.018% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.31, residual support = 76.1:
    * O T HB    VAL   41 - HA    VAL   41   2.70 +/- 0.24  86.437% * 99.0830% (0.69  10.0 10.00   4.31  76.13) =  99.988%  kept
          HG12  ILE  103 - HA    VAL   41  11.07 +/- 3.04   2.256% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU  123 - HA    VAL   41  19.42 +/- 5.76   1.309% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HA    VAL   41  12.44 +/- 2.17   1.380% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    VAL   41   9.85 +/- 1.19   2.176% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    VAL   41  12.77 +/- 2.96   1.568% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    VAL   41  13.19 +/- 2.74   1.116% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    VAL   41  13.30 +/- 1.86   0.949% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HA    VAL   41  21.42 +/- 3.49   0.299% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  12.54 +/- 2.13   1.204% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  21.78 +/- 3.92   0.245% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  17.95 +/- 2.28   0.425% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  17.92 +/- 2.38   0.385% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  20.18 +/- 1.84   0.251% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.24, residual support = 75.6:
    * O T QG1   VAL   41 - HA    VAL   41   2.63 +/- 0.36  57.476% * 93.6494% (1.00  10.0 10.00   4.27  76.13) =  99.220%  kept
          QG1   VAL   43 - HA    VAL   41   5.95 +/- 1.16   7.427% *  5.2404% (0.95   1.0  1.00   1.18   1.43) =   0.717%  kept
        T QG2   VAL   18 - HA    VAL   41  10.36 +/- 3.64   2.377% *  0.7157% (0.76   1.0 10.00   0.02   0.02) =   0.031%
          QD2   LEU   73 - HA    VAL   41   5.90 +/- 2.33  23.026% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.018%
        T QD2   LEU  104 - HA    VAL   41   9.28 +/- 3.05   2.030% *  0.1853% (0.20   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   31 - HA    VAL   41   8.32 +/- 2.36   2.927% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    VAL   41   8.74 +/- 3.11   3.406% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    VAL   41  12.35 +/- 1.94   0.934% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   41  14.85 +/- 1.88   0.397% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 76.1:
    * O T QG2   VAL   41 - HA    VAL   41   2.58 +/- 0.50  70.206% * 99.7508% (1.00  10.0 10.00   3.95  76.13) =  99.967%  kept
          QD2   LEU   98 - HA    VAL   41   6.70 +/- 3.41  12.402% *  0.0944% (0.95   1.0  1.00   0.02  22.29) =   0.017%
          QD2   LEU   63 - HA    VAL   41   8.78 +/- 2.81  15.574% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.013%
          QD1   LEU   80 - HA    VAL   41  13.71 +/- 3.79   1.818% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.23 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 = 76.1:
    * O T HA    VAL   41 - HB    VAL   41   2.70 +/- 0.24  96.049% * 99.8595% (0.69  10.0 10.00   4.31  76.13) =  99.997%  kept
          HA    HIS  122 - HB    VAL   41  17.08 +/- 6.66   2.881% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - HB    VAL   41  12.63 +/- 1.48   1.070% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.686, support = 4.28, residual support = 75.7:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.02  70.986% * 92.7288% (0.69  10.0 10.00   4.29  76.13) =  99.414%  kept
          QG1   VAL   43 - HB    VAL   41   5.68 +/- 1.11   5.412% *  6.1720% (0.65   1.0  1.00   1.41   1.43) =   0.504%  kept
        T QG2   VAL   18 - HB    VAL   41  11.53 +/- 3.77   6.018% *  0.7087% (0.52   1.0 10.00   0.02   0.02) =   0.064%
        T QD2   LEU  104 - HB    VAL   41   8.53 +/- 3.30   2.611% *  0.1835% (0.14   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   73 - HB    VAL   41   6.64 +/- 2.78   8.294% *  0.0416% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   31 - HB    VAL   41   7.77 +/- 3.24   3.925% *  0.0562% (0.42   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HB    VAL   41   9.70 +/- 3.39   1.820% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   41  12.77 +/- 2.14   0.708% *  0.0600% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB    VAL   41  15.36 +/- 1.93   0.225% *  0.0206% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 4.17, residual support = 75.1:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.01  70.126% * 94.6248% (0.69  10.0 10.00   4.23  76.13) =  97.994%  kept
          QD2   LEU   98 - HB    VAL   41   5.48 +/- 3.68  25.933% *  5.2283% (0.65   1.0  1.00   1.17  22.29) =   2.002%  kept
          QD1   LEU   80 - HB    VAL   41  13.57 +/- 4.19   1.723% *  0.0895% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB    VAL   41   9.87 +/- 2.90   2.219% *  0.0574% (0.42   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 76.1:
    * O T HA    VAL   41 - QG2   VAL   41   2.58 +/- 0.50  96.317% * 99.8595% (1.00  10.0 10.00   3.95  76.13) =  99.997%  kept
          HA    PHE   45 - QG2   VAL   41  10.63 +/- 1.29   2.402% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG2   VAL   41  15.08 +/- 5.13   1.281% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.23, residual support = 76.1:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.01  85.819% * 99.0830% (0.69  10.0 10.00   4.23  76.13) =  99.988%  kept
          HG12  ILE  103 - QG2   VAL   41   7.97 +/- 2.74   3.791% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  33 - QG2   VAL   41   8.25 +/- 2.13   3.216% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  123 - QG2   VAL   41  17.50 +/- 4.44   0.750% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QG2   VAL   41   9.81 +/- 2.37   1.337% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG2   VAL   41  10.82 +/- 2.05   1.015% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG2   VAL   41  11.89 +/- 1.56   0.621% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   VAL   41  12.77 +/- 1.64   0.564% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   VAL   41  10.07 +/- 1.94   1.127% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  18.77 +/- 2.84   0.177% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  14.47 +/- 2.56   0.662% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.38 +/- 2.33   0.504% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.33 +/- 3.03   0.158% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  16.21 +/- 2.10   0.257% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.92, residual support = 74.8:
    * O T QG1   VAL   41 - QG2   VAL   41   2.05 +/- 0.06  51.439% * 89.5445% (1.00  10.0 10.00   3.97  76.13) =  98.217%  kept
          QG1   VAL   43 - QG2   VAL   41   4.44 +/- 0.96   7.037% *  7.8061% (0.95   1.0  1.00   1.84   1.43) =   1.171%  kept
          QD2   LEU   73 - QG2   VAL   41   5.58 +/- 2.59  19.915% *  0.6501% (0.45   1.0  1.00   0.32   0.02) =   0.276%  kept
          HG    LEU   31 - QG2   VAL   41   6.46 +/- 3.17  11.572% *  1.0323% (0.61   1.0  1.00   0.38   0.02) =   0.255%  kept
        T QG2   VAL   18 - QG2   VAL   41   9.69 +/- 3.34   4.944% *  0.6843% (0.76   1.0 10.00   0.02   0.02) =   0.072%
        T QD2   LEU  104 - QG2   VAL   41   7.30 +/- 2.22   1.833% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.007%
          QD1   ILE   19 - QG2   VAL   41   7.90 +/- 3.18   2.427% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QG2   VAL   41  10.89 +/- 1.63   0.613% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QG2   VAL   41  13.30 +/- 1.56   0.220% *  0.0199% (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 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 = 0.862, support = 4.46, residual support = 87.2:
    * O T HB    VAL   42 - HA    VAL   42   2.76 +/- 0.23  57.416% * 87.5212% (0.87  10.0 10.00   4.55  89.61) =  97.247%  kept
          QB    LEU   98 - HA    VAL   42   6.18 +/- 2.88  16.767% *  6.9135% (0.76   1.0  1.00   1.79   0.42) =   2.243%  kept
        T HB2   LYS+ 112 - HA    PHE   55   8.17 +/- 3.52   8.279% *  2.2261% (0.16   1.0 10.00   0.27   1.02) =   0.357%  kept
          HB3   LEU   73 - HA    VAL   42   8.58 +/- 2.40   4.050% *  1.7387% (0.80   1.0  1.00   0.43   1.04) =   0.136%  kept
        T HB2   LYS+ 112 - HA    VAL   42  17.87 +/- 2.19   0.310% *  0.6931% (0.69   1.0 10.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HA    VAL   42  13.97 +/- 5.76   3.350% *  0.0452% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HA    VAL   42   9.75 +/- 3.08   2.409% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HA    VAL   42  10.91 +/- 2.04   1.472% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HA    PHE   55  17.81 +/- 2.94   0.286% *  0.2060% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    VAL   42  12.97 +/- 1.12   0.591% *  0.0931% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    VAL   42  13.36 +/- 1.52   0.566% *  0.0875% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    VAL   42  13.91 +/- 2.70   0.568% *  0.0771% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    VAL   42  19.59 +/- 3.25   0.226% *  0.0974% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  13.85 +/- 2.89   0.677% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  18.04 +/- 3.04   1.384% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.28 +/- 2.06   0.347% *  0.0206% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  18.66 +/- 3.28   0.354% *  0.0116% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.58 +/- 2.86   0.196% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  20.64 +/- 2.19   0.158% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.49 +/- 2.42   0.206% *  0.0134% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  27.47 +/- 3.91   0.079% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  26.98 +/- 3.12   0.077% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  21.85 +/- 3.76   0.174% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  28.37 +/- 3.04   0.059% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 89.6:
    * O T QG1   VAL   42 - HA    VAL   42   2.51 +/- 0.39  77.586% * 98.1799% (0.97  10.0 10.00   4.00  89.61) =  99.960%  kept
        T QB    ALA   64 - HA    VAL   42   7.03 +/- 1.04   5.905% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.016%
        T QB    ALA   47 - HA    VAL   42  13.75 +/- 1.66   0.681% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QB    ALA   47 - HA    PHE   55  10.38 +/- 1.81   2.840% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.009%
        T QG1   VAL   42 - HA    PHE   55  13.71 +/- 2.03   0.983% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.003%
          HG2   LYS+ 112 - HA    PHE   55   8.13 +/- 3.58  10.475% *  0.0164% (0.16   1.0  1.00   0.02   1.02) =   0.002%
        T QB    ALA   64 - HA    PHE   55  13.09 +/- 1.80   1.130% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HA    VAL   42  17.29 +/- 2.35   0.400% *  0.0699% (0.69   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 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 89.3:
    * O T QG2   VAL   42 - HA    VAL   42   2.61 +/- 0.47  89.228% * 96.8205% (0.80  10.0 10.00   4.00  89.61) =  99.693%  kept
          QG2   VAL   75 - HA    VAL   42   6.86 +/- 1.86   8.996% *  2.9332% (0.65   1.0  1.00   0.75   0.02) =   0.304%  kept
        T QG2   VAL   42 - HA    PHE   55  14.82 +/- 2.81   1.011% *  0.2279% (0.19   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   75 - HA    PHE   55  14.68 +/- 2.16   0.765% *  0.0184% (0.15   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 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.54, residual support = 89.6:
    * O T HA    VAL   42 - HB    VAL   42   2.76 +/- 0.23  77.512% * 97.9628% (0.87  10.0 10.00   4.55  89.61) =  99.932%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.17 +/- 3.52  10.925% *  0.3914% (0.35   1.0 10.00   0.02   1.02) =   0.056%
        T HA    VAL   42 - HB2   LYS+ 112  17.87 +/- 2.19   0.413% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    PHE   55 - HB    VAL   42  17.81 +/- 2.94   0.381% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - HB    VAL   42  12.63 +/- 4.36   1.992% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  110 - HB2   LYS+ 112   8.56 +/- 1.41   4.010% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB2   LYS+ 112  12.36 +/- 2.85   1.721% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB    VAL   42  13.10 +/- 1.33   1.079% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB    VAL   42  14.44 +/- 1.01   0.592% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  17.65 +/- 1.24   0.312% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  17.51 +/- 2.57   0.432% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  18.10 +/- 3.39   0.388% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  23.91 +/- 3.02   0.159% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  30.74 +/- 3.63   0.085% *  0.0419% (0.37   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 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 = 0.746, support = 5.03, residual support = 122.1:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.02  59.597% * 65.1690% (0.84  10.0 10.00   4.55  89.61) =  78.053%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.64 +/- 0.29  33.331% * 32.7352% (0.42  10.0 10.00   6.74 237.94) =  21.928%  kept
        T QB    ALA   47 - HB2   LYS+ 112  11.31 +/- 2.65   0.808% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   VAL   42 - HB2   LYS+ 112  13.16 +/- 2.06   0.525% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.005%
        T QB    ALA   47 - HB    VAL   42  14.10 +/- 1.67   0.256% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 112 - HB    VAL   42  16.91 +/- 2.85   0.170% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   64 - HB    VAL   42   5.72 +/- 1.27   4.797% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   64 - HB2   LYS+ 112  14.10 +/- 2.46   0.516% *  0.0094% (0.12   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 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.694, support = 4.41, residual support = 89.5:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.02  95.170% * 96.7222% (0.69  10.0 10.00   4.42  89.61) =  99.896%  kept
          QG2   VAL   75 - HB    VAL   42   7.27 +/- 1.48   3.625% *  2.5401% (0.56   1.0  1.00   0.65   0.02) =   0.100%
        T QG2   VAL   42 - HB2   LYS+ 112  14.51 +/- 2.18   0.442% *  0.6826% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   75 - HB2   LYS+ 112  15.03 +/- 3.15   0.763% *  0.0551% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.836, support = 4.49, residual support = 88.2:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.02  58.502% * 89.4161% (0.84  10.0 10.00   4.55  89.61) =  98.354%  kept
          HB3   LEU   73 - QG1   VAL   42   7.22 +/- 2.20  15.542% *  4.9569% (0.77   1.0  1.00   1.20   1.04) =   1.448%  kept
          QB    LEU   98 - QG1   VAL   42   6.78 +/- 2.39   3.506% *  2.3721% (0.74   1.0  1.00   0.60   0.42) =   0.156%  kept
          HD3   LYS+ 121 - QG1   VAL   42  10.51 +/- 4.83  11.539% *  0.0462% (0.43   1.0  1.00   0.02   0.02) =   0.010%
        T HB2   LYS+ 112 - QB    ALA   47  11.31 +/- 2.65   0.785% *  0.6115% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   LYS+ 112 - QG1   VAL   42  13.16 +/- 2.06   0.534% *  0.7081% (0.66   1.0 10.00   0.02   0.02) =   0.007%
        T HB    VAL   42 - QB    ALA   47  14.10 +/- 1.67   0.255% *  0.7722% (0.72   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - QG1   VAL   42   8.38 +/- 2.98   1.667% *  0.0584% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QB    ALA   47  14.39 +/- 4.31   1.003% *  0.0772% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QB    ALA   47  13.77 +/- 3.60   1.268% *  0.0504% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG1   VAL   42  11.63 +/- 1.62   0.649% *  0.0952% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QG1   VAL   42  10.03 +/- 1.27   0.668% *  0.0894% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QG1   VAL   42   9.10 +/- 1.66   1.018% *  0.0502% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QB    ALA   47  14.52 +/- 2.78   0.405% *  0.0680% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG1   VAL   42  13.10 +/- 2.51   0.341% *  0.0788% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    ALA   47  13.94 +/- 1.97   0.329% *  0.0713% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  16.48 +/- 2.87   0.186% *  0.0995% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  12.72 +/- 2.68   0.426% *  0.0433% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.06 +/- 2.21   0.480% *  0.0318% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  12.03 +/- 2.46   0.438% *  0.0275% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  20.94 +/- 4.11   0.138% *  0.0680% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  20.72 +/- 2.47   0.094% *  0.0822% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.83 +/- 4.05   0.089% *  0.0859% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  18.18 +/- 2.44   0.137% *  0.0399% (0.37   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 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 3.99, residual support = 89.4:
    * O T QG2   VAL   42 - QG1   VAL   42   2.07 +/- 0.05  92.249% * 96.1881% (0.77  10.0 10.00   4.00  89.61) =  99.810%  kept
          QG2   VAL   75 - QG1   VAL   42   5.84 +/- 1.33   5.583% *  2.9141% (0.62   1.0  1.00   0.75   0.02) =   0.183%  kept
        T QG2   VAL   42 - QB    ALA   47  11.65 +/- 1.61   0.661% *  0.8307% (0.67   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   75 - QB    ALA   47   9.31 +/- 2.20   1.507% *  0.0671% (0.54   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 89.6:
    * O T HA    VAL   42 - QG2   VAL   42   2.61 +/- 0.47  90.934% * 99.2010% (0.80  10.0 10.00   4.00  89.61) =  99.989%  kept
        T HA    PHE   55 - QG2   VAL   42  14.82 +/- 2.81   1.038% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLN   17 - QG2   VAL   42  10.76 +/- 3.45   3.180% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG2   VAL   42  10.83 +/- 1.34   2.105% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG2   VAL   42  12.27 +/- 1.35   1.226% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QG2   VAL   42  14.56 +/- 1.37   0.732% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  14.92 +/- 2.84   0.786% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.694, support = 4.4, residual support = 89.2:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.02  71.745% * 94.7265% (0.69  10.0 10.00   4.42  89.61) =  99.503%  kept
          QB    LEU   98 - QG2   VAL   42   6.62 +/- 2.84  11.069% *  2.5130% (0.61   1.0  1.00   0.60   0.42) =   0.407%  kept
          HB3   LEU   73 - QG2   VAL   42   7.58 +/- 1.85   3.587% *  1.4284% (0.64   1.0  1.00   0.33   1.04) =   0.075%
          HD3   LYS+ 121 - QG2   VAL   42  11.31 +/- 4.81   6.830% *  0.0490% (0.36   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LYS+ 112 - QG2   VAL   42  14.51 +/- 2.18   0.336% *  0.7501% (0.55   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - QG2   VAL   42   9.21 +/- 3.05   1.932% *  0.0618% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG2   VAL   42   9.88 +/- 1.75   1.014% *  0.0947% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QG2   VAL   42   9.38 +/- 1.92   1.636% *  0.0532% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG2   VAL   42  11.01 +/- 1.70   0.721% *  0.1008% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG2   VAL   42  12.93 +/- 2.77   0.424% *  0.0835% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QG2   VAL   42  15.74 +/- 2.43   0.231% *  0.1054% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  12.69 +/- 2.44   0.476% *  0.0337% (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 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 89.6:
    * O T QG1   VAL   42 - QG2   VAL   42   2.07 +/- 0.05  82.278% * 98.8869% (0.77  10.0 10.00   4.00  89.61) =  99.988%  kept
        T QB    ALA   47 - QG2   VAL   42  11.65 +/- 1.61   0.584% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA   64 - QG2   VAL   42   4.94 +/- 1.23  16.779% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - QG2   VAL   42  14.06 +/- 2.39   0.359% *  0.0704% (0.55   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 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 61.0:
    * O T HB    VAL   43 - HA    VAL   43   2.87 +/- 0.13  92.948% * 99.7401% (0.97  10.0 10.00   3.30  61.02) =  99.995%  kept
          HB3   GLN   17 - HA    VAL   43  14.18 +/- 4.23   4.828% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HA    VAL   43  12.57 +/- 2.31   1.391% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HA    VAL   43  15.01 +/- 2.06   0.833% *  0.1024% (0.99   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 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.893, support = 4.49, residual support = 60.5:
    * O T QG1   VAL   43 - HA    VAL   43   2.74 +/- 0.34  52.267% * 97.5347% (0.90  10.0 10.00   4.52  61.02) =  99.042%  kept
          QD2   LEU   73 - HA    VAL   43   5.33 +/- 2.57  22.973% *  2.0723% (0.53   1.0  1.00   0.72   3.58) =   0.925%  kept
          QG2   VAL   18 - HA    VAL   43   9.39 +/- 4.30  11.820% *  0.0747% (0.69   1.0  1.00   0.02   0.02) =   0.017%
          QG1   VAL   41 - HA    VAL   43   7.20 +/- 0.64   3.291% *  0.1078% (0.99   1.0  1.00   0.02   1.43) =   0.007%
          HG    LEU   31 - HA    VAL   43  10.01 +/- 2.97   2.682% *  0.0747% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    VAL   43   8.01 +/- 0.95   2.536% *  0.0616% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    VAL   43  10.02 +/- 2.88   2.071% *  0.0271% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   43  11.71 +/- 1.54   0.937% *  0.0302% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    VAL   43  10.36 +/- 2.01   1.422% *  0.0168% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.97, residual support = 60.2:
    * O T QG2   VAL   43 - HA    VAL   43   2.20 +/- 0.29  91.164% * 76.8877% (0.69  10.0 10.00   3.00  61.02) =  98.719%  kept
        T QD2   LEU   31 - HA    VAL   43   8.08 +/- 2.24   3.934% * 23.0812% (0.73   1.0 10.00   0.57   0.02) =   1.279%  kept
          QG2   VAL   83 - HA    VAL   43   7.30 +/- 1.97   4.903% *  0.0311% (0.28   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 5.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 61.0:
    * O T HA    VAL   43 - HB    VAL   43   2.87 +/- 0.13  96.039% * 99.8083% (0.97  10.0 10.00   3.30  61.02) =  99.998%  kept
          HA    HIS   22 - HB    VAL   43  14.67 +/- 3.46   1.260% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB    VAL   43  15.65 +/- 1.51   0.684% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - HB    VAL   43  11.72 +/- 2.18   2.017% *  0.0222% (0.21   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 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 = 3.89, residual support = 60.9:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.02  75.142% * 90.2229% (0.87  10.0 10.00   3.90  61.02) =  99.756%  kept
        T QG1   VAL   41 - HB    VAL   43   8.15 +/- 0.80   1.503% *  8.6987% (0.96   1.0 10.00   0.17   1.43) =   0.192%  kept
        T QG2   VAL   18 - HB    VAL   43  11.14 +/- 4.23   3.300% *  0.6910% (0.66   1.0 10.00   0.02   0.02) =   0.034%
          QD2   LEU   73 - HB    VAL   43   6.92 +/- 2.74  14.621% *  0.0529% (0.51   1.0  1.00   0.02   3.58) =   0.011%
        T QD2   LEU  104 - HB    VAL   43   9.68 +/- 2.12   1.786% *  0.1552% (0.15   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   31 - HB    VAL   43  11.22 +/- 3.48   1.091% *  0.0691% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   43   8.42 +/- 0.80   1.318% *  0.0570% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    VAL   43  11.80 +/- 2.95   0.688% *  0.0251% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  11.96 +/- 1.92   0.551% *  0.0280% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.85, residual support = 60.4:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  89.543% * 71.1393% (0.66  10.0 10.00   2.87  61.02) =  98.998%  kept
        T QD2   LEU   31 - HB    VAL   43   9.07 +/- 2.80   2.091% * 28.2013% (0.70   1.0 10.00   0.75   0.02) =   0.916%  kept
          QG2   VAL   83 - HB    VAL   43   6.05 +/- 1.66   8.366% *  0.6594% (0.27   1.0  1.00   0.46   0.02) =   0.086%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.52, residual support = 61.0:
    * O T HA    VAL   43 - QG1   VAL   43   2.74 +/- 0.34  92.460% * 99.8083% (0.90  10.0 10.00   4.52  61.02) =  99.996%  kept
          HA    HIS   22 - QG1   VAL   43  12.41 +/- 3.53   2.769% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG1   VAL   43  13.12 +/- 1.26   1.026% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - QG1   VAL   43   9.70 +/- 2.12   3.745% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.865, support = 3.9, residual support = 61.0:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.02  86.114% * 99.7401% (0.87  10.0 10.00   3.90  61.02) =  99.990%  kept
          HB3   GLN   17 - QG1   VAL   43  13.45 +/- 3.93  12.113% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LYS+  99 - QG1   VAL   43   9.56 +/- 1.82   1.232% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   43  12.25 +/- 1.64   0.540% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (0.76, 0.76, 21.16 ppm):
    1 diagonal assignment:
    *     QG1   VAL   43 - QG1   VAL   43  (0.80)  kept
 
    Peak 440 (0.06, 0.76, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.616, support = 3.93, residual support = 59.5:
    * O T QG2   VAL   43 - QG1   VAL   43   2.03 +/- 0.05  80.781% * 71.1461% (0.62  10.0 10.00   4.02  61.02) =  97.450%  kept
        T QD2   LEU   31 - QG1   VAL   43   6.98 +/- 2.74   5.005% * 28.2039% (0.65   1.0 10.00   0.75   0.02) =   2.394%  kept
          QG2   VAL   83 - QG1   VAL   43   5.30 +/- 1.78  14.214% *  0.6500% (0.25   1.0  1.00   0.45   0.02) =   0.157%  kept
    Distance limit 2.65 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 = 0.662, support = 2.86, residual support = 60.9:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  82.452% * 90.0132% (0.66  10.0 10.00   2.87  61.02) =  99.736%  kept
        T HB    VAL   43 - QD2   LEU   31   9.07 +/- 2.80   1.948% *  9.6849% (0.19   1.0 10.00   0.75   0.02) =   0.254%  kept
          HB3   GLN   17 - QG2   VAL   43  12.76 +/- 3.97  12.050% *  0.0491% (0.36   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LYS+  99 - QG2   VAL   43  10.44 +/- 1.85   0.999% *  0.0931% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   43  11.66 +/- 1.87   0.614% *  0.0924% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QD2   LEU   31  11.88 +/- 2.89   0.895% *  0.0267% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  15.94 +/- 4.19   0.366% *  0.0265% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  11.89 +/- 2.01   0.676% *  0.0141% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.535, support = 4.3, residual support = 88.3:
    * O T QG1   VAL   43 - QG2   VAL   43   2.03 +/- 0.05  29.058% * 79.1785% (0.62  10.0 10.00   4.02  61.02) =  82.915%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  26.005% * 17.4002% (0.14  10.0 10.00   5.89 231.20) =  16.307%  kept
          QD2   LEU   73 - QG2   VAL   43   5.15 +/- 2.37   8.518% *  1.7419% (0.36   1.0  1.00   0.75   3.58) =   0.535%  kept
          QG1   VAL   41 - QD2   LEU   31   5.22 +/- 2.44   8.703% *  0.4559% (0.20   1.0  1.00   0.36   0.02) =   0.143%  kept
        T HG    LEU   31 - QG2   VAL   43   8.18 +/- 3.06   1.562% *  0.6065% (0.47   1.0 10.00   0.02   0.02) =   0.034%
          QD2   LEU   73 - QD2   LEU   31   4.55 +/- 1.63   8.743% *  0.0826% (0.10   1.0  1.00   0.12   1.82) =   0.026%
          QG2   VAL   18 - QG2   VAL   43   8.82 +/- 3.79   7.498% *  0.0606% (0.47   1.0  1.00   0.02   0.02) =   0.016%
        T QG1   VAL   43 - QD2   LEU   31   6.98 +/- 2.74   1.856% *  0.2272% (0.18   1.0 10.00   0.02   0.02) =   0.015%
          QG1   VAL   41 - QG2   VAL   43   6.10 +/- 1.00   1.555% *  0.0875% (0.68   1.0  1.00   0.02   1.43) =   0.005%
          QG2   THR   46 - QG2   VAL   43   7.44 +/- 1.08   0.844% *  0.0500% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - QG2   VAL   43   8.50 +/- 2.02   1.855% *  0.0136% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QG2   VAL   43   8.99 +/- 2.81   0.960% *  0.0220% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD2   LEU   31   6.50 +/- 1.05   1.213% *  0.0063% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.12 +/- 1.07   0.383% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.82 +/- 1.50   0.241% *  0.0245% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  11.53 +/- 1.87   0.272% *  0.0143% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.48 +/- 2.94   0.561% *  0.0039% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  13.94 +/- 2.31   0.175% *  0.0070% (0.05   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 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.9:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.68 +/- 0.29  89.869% * 97.1917% (1.00  10.0 10.00   2.64  39.92) =  99.982%  kept
        T QG    GLU-  14 - HA    ASP-  44  17.66 +/- 2.75   0.436% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T QG    GLU-  15 - HA    ASP-  44  17.95 +/- 3.42   0.411% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PHE   72 - HA    ASP-  44   8.46 +/- 1.69   4.036% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HG12  ILE  119 - HA    ASP-  44  11.34 +/- 1.98   2.094% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - HA    ASP-  44  11.67 +/- 1.40   1.413% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASP-  44  24.72 +/- 3.45   0.195% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  44  12.06 +/- 1.46   1.233% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  18.19 +/- 1.63   0.313% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.13, residual support = 39.6:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.60 +/- 0.25  77.612% * 77.1865% (1.00  10.0 10.00   4.16  39.92) =  99.253%  kept
        T QB    ALA   84 - HA    ASP-  44   9.57 +/- 1.40   1.974% * 22.2560% (0.80   1.0 10.00   0.72   0.02) =   0.728%  kept
          HB2   LEU   63 - HA    ASP-  44   7.79 +/- 2.11   5.618% *  0.0757% (0.98   1.0  1.00   0.02   0.02) =   0.007%
          HB3   PRO   93 - HA    ASP-  44   7.59 +/- 1.55   6.172% *  0.0590% (0.76   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   98 - HA    ASP-  44  10.84 +/- 1.99   1.458% *  0.0692% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    ASP-  44  11.79 +/- 2.42   1.352% *  0.0713% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    ASP-  44  15.64 +/- 2.84   0.670% *  0.0560% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ASP-  44  10.25 +/- 2.18   1.896% *  0.0172% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    ASP-  44  15.39 +/- 2.13   0.499% *  0.0618% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    ASP-  44  13.51 +/- 2.52   1.943% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.49 +/- 2.38   0.257% *  0.0745% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.25 +/- 1.56   0.348% *  0.0346% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  19.92 +/- 1.21   0.200% *  0.0263% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.9:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.68 +/- 0.29  89.566% * 98.1053% (1.00  10.0 10.00   2.64  39.92) =  99.990%  kept
        T HA    MET   11 - HB2   ASP-  44  26.37 +/- 4.21   0.199% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   77 - HB2   ASP-  44  11.15 +/- 2.43   1.783% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  14 - HB2   ASP-  44  18.59 +/- 3.20   0.399% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HA    ILE  103 - HB2   ASP-  44  13.65 +/- 1.58   0.870% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   ASP-  44   9.70 +/- 2.17   3.699% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   ASP-  44  13.16 +/- 1.71   1.067% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   ASP-  44  15.87 +/- 1.13   0.501% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   ASP-  44  15.17 +/- 1.17   0.571% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.06 +/- 2.42   0.672% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.20 +/- 1.48   0.468% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  24.09 +/- 3.73   0.204% *  0.0478% (0.49   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 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 = 2.75, residual support = 39.9:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  88.100% * 99.2040% (1.00  10.0 10.00   2.76  39.92) =  99.989%  kept
          HB2   LEU   63 - HB2   ASP-  44   6.65 +/- 2.11   5.739% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HB2   ASP-  44   8.59 +/- 2.20   3.381% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - HB2   ASP-  44  12.37 +/- 2.97   0.486% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB2   ASP-  44  10.74 +/- 1.19   0.437% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.95 +/- 2.11   0.384% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.99 +/- 2.05   0.174% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  16.97 +/- 2.90   0.135% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.29 +/- 2.48   0.093% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.20 +/- 2.27   0.390% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  13.96 +/- 2.83   0.494% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.79 +/- 2.29   0.117% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  19.40 +/- 1.64   0.070% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 39.9:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.60 +/- 0.25  88.646% * 99.3093% (1.00  10.0 10.00   4.16  39.92) =  99.993%  kept
          HB    THR   77 - HB3   ASP-  44  10.90 +/- 2.89   2.550% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - HB3   ASP-  44  13.07 +/- 2.04   1.595% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   ASP-  44   9.36 +/- 2.23   3.699% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   ASP-  44  14.08 +/- 1.48   0.620% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   ASP-  44  15.56 +/- 1.33   0.486% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   ASP-  44  14.27 +/- 2.39   1.032% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.09 +/- 1.08   0.412% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.11 +/- 1.45   0.441% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  27.19 +/- 4.33   0.113% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  19.54 +/- 3.19   0.274% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  24.96 +/- 3.77   0.133% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 39.9:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  96.834% * 99.4398% (1.00  10.0 10.00   2.76  39.92) =  99.997%  kept
          HB3   PHE   72 - HB3   ASP-  44   8.33 +/- 1.63   1.406% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   ASP-  44  11.26 +/- 2.45   0.726% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  12.86 +/- 1.27   0.270% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  17.19 +/- 2.88   0.139% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  17.55 +/- 3.44   0.127% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.40 +/- 1.63   0.330% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  24.11 +/- 3.46   0.059% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  17.88 +/- 2.15   0.107% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.0:
    * O T HB2   PHE   45 - HA    PHE   45   2.79 +/- 0.22  95.939% * 99.8680% (1.00  10.0 10.00   3.31  80.03) =  99.997%  kept
          QE    LYS+ 111 - HA    PHE   45  14.56 +/- 3.02   1.561% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - HA    PHE   45  12.62 +/- 3.40   2.501% *  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 = 80.0:
    * O T HB3   PHE   45 - HA    PHE   45   2.79 +/- 0.28  86.446% * 99.6736% (1.00  10.0 10.00   3.99  80.03) =  99.993%  kept
          QE    LYS+ 112 - HA    PHE   45  11.85 +/- 3.07   2.580% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  107 - HA    PHE   45  10.51 +/- 0.91   1.852% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - HA    PHE   45  11.66 +/- 3.40   6.803% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HA    PHE   45  11.92 +/- 1.47   1.759% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    PHE   45  20.55 +/- 2.17   0.259% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  19.69 +/- 2.02   0.300% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.0:
    * O T HA    PHE   45 - HB2   PHE   45   2.79 +/- 0.22  98.645% * 99.9145% (1.00  10.0 10.00   3.31  80.03) =  99.999%  kept
          HA    VAL   41 - HB2   PHE   45  13.60 +/- 0.94   0.989% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB2   PHE   45  19.06 +/- 2.64   0.367% *  0.0249% (0.25   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 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.0:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  96.657% * 99.6736% (1.00  10.0 10.00   3.31  80.03) =  99.998%  kept
          QE    LYS+ 112 - HB2   PHE   45  11.52 +/- 3.29   1.452% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - HB2   PHE   45   9.51 +/- 0.78   0.645% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HB2   PHE   45  11.01 +/- 1.33   0.446% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  12.59 +/- 3.17   0.679% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  21.92 +/- 2.35   0.055% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  20.79 +/- 2.27   0.066% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 80.0:
    * O T HA    PHE   45 - HB3   PHE   45   2.79 +/- 0.28  98.472% * 99.9145% (1.00  10.0 10.00   3.99  80.03) =  99.999%  kept
          HA    VAL   41 - HB3   PHE   45  13.34 +/- 0.83   1.002% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB3   PHE   45  18.93 +/- 3.24   0.526% *  0.0249% (0.25   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 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.0:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  98.991% * 99.8680% (1.00  10.0 10.00   3.31  80.03) =  99.999%  kept
          QE    LYS+ 111 - HB3   PHE   45  12.93 +/- 3.31   0.687% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB3   PHE   45  14.33 +/- 3.58   0.322% *  0.0375% (0.38   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 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.93, residual support = 34.1:
    * O T HB    THR   46 - HA    THR   46   2.58 +/- 0.16  97.190% * 98.0423% (1.00  10.0 10.00   2.93  34.14) =  99.996%  kept
        T HB    THR   46 - HA    SER   37  25.43 +/- 2.28   0.118% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   13  25.73 +/- 4.65   0.169% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HA    THR   46  11.58 +/- 2.15   1.566% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    THR   46  17.95 +/- 2.15   0.345% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  22.53 +/- 5.83   0.262% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  24.40 +/- 5.97   0.181% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  29.60 +/- 3.32   0.102% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  30.93 +/- 3.53   0.067% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T QG2   THR   46 - HA    THR   46   2.94 +/- 0.38  61.965% * 97.3989% (1.00  10.0 10.00   3.00  34.14) =  99.955%  kept
          QD1   ILE   19 - HA    SER   37  10.82 +/- 2.93   5.052% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.007%
        T QG2   THR   46 - HA    SER   13  20.99 +/- 3.69   0.507% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE   19 - HA    SER   13   9.00 +/- 2.05   5.532% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   41 - HA    SER   13  14.80 +/- 3.75   7.056% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.004%
          QG2   VAL   18 - HA    SER   13  10.93 +/- 2.39   4.516% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    THR   46   9.29 +/- 1.21   2.796% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.004%
        T QG2   THR   46 - HA    SER   37  20.69 +/- 2.11   0.230% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   41 - HA    SER   37   8.39 +/- 0.86   3.264% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   18 - HA    THR   46  12.97 +/- 3.90   1.517% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    SER   37  15.11 +/- 2.35   0.657% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    THR   46  14.65 +/- 1.96   0.864% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   37  14.99 +/- 4.14   0.763% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    THR   46  15.47 +/- 2.52   0.709% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    THR   46  15.86 +/- 1.90   0.550% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  14.95 +/- 1.16   0.535% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    SER   13  20.14 +/- 5.17   0.875% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   13  18.23 +/- 3.75   0.664% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    SER   37  12.83 +/- 0.67   0.858% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  18.13 +/- 3.22   0.422% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  17.30 +/- 3.33   0.668% *  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 = 2.93, residual support = 34.1:
    * O T HA    THR   46 - HB    THR   46   2.58 +/- 0.16  90.672% * 98.0777% (1.00  10.0 10.00   2.93  34.14) =  99.992%  kept
          HA    PRO   58 - HB    THR   46  11.67 +/- 3.10   5.075% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   42 - HB    THR   46  12.62 +/- 2.06   3.026% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   37 - HB    THR   46  25.43 +/- 2.28   0.109% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   13 - HB    THR   46  25.73 +/- 4.65   0.158% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB    THR   46  18.47 +/- 4.81   0.398% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.35 +/- 2.25   0.386% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  22.22 +/- 3.57   0.176% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T QG2   THR   46 - HB    THR   46   2.15 +/- 0.01  95.754% * 99.5878% (1.00  10.0 10.00   3.00  34.14) =  99.996%  kept
          QG1   VAL   43 - HB    THR   46   9.45 +/- 1.44   1.539% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB    THR   46  12.07 +/- 4.05   1.271% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB    THR   46  14.52 +/- 2.17   0.482% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  15.00 +/- 2.17   0.349% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  15.64 +/- 2.33   0.363% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  17.72 +/- 3.00   0.241% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T HA    THR   46 - QG2   THR   46   2.94 +/- 0.38  78.316% * 98.0777% (1.00  10.0 10.00   3.00  34.14) =  99.975%  kept
          HA    PRO   58 - QG2   THR   46   9.81 +/- 2.93  15.639% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.012%
        T HA    SER   13 - QG2   THR   46  20.99 +/- 3.69   0.681% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.006%
        T HA    SER   37 - QG2   THR   46  20.69 +/- 2.11   0.290% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   42 - QG2   THR   46  10.34 +/- 1.57   2.611% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QG2   THR   46  15.04 +/- 3.78   1.137% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QG2   THR   46  14.91 +/- 2.16   0.852% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  18.15 +/- 2.86   0.475% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T HB    THR   46 - QG2   THR   46   2.15 +/- 0.01  97.425% * 99.8459% (1.00  10.0 10.00   3.00  34.14) =  99.998%  kept
          HA    LYS+ 112 - QG2   THR   46  10.42 +/- 2.50   2.164% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - QG2   THR   46  14.40 +/- 2.35   0.411% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 10.8:
    * O T QB    ALA   47 - HA    ALA   47   2.13 +/- 0.02  97.888% * 99.0048% (0.95  10.0 10.00   2.00  10.76) =  99.992%  kept
        T QG1   VAL   42 - HA    ALA   47  12.16 +/- 1.82   0.763% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.007%
          HG2   LYS+ 112 - HA    ALA   47  13.74 +/- 3.52   0.729% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  12.50 +/- 1.89   0.620% *  0.0323% (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 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.932, support = 2.02, residual support = 10.7:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.02  64.302% * 89.8868% (0.95  10.0 10.00   2.00  10.76) =  97.417%  kept
          HA    CYS   50 - QB    ALA   47   3.73 +/- 1.17  24.136% *  5.3611% (0.42   1.0  1.00   2.66   6.88) =   2.181%  kept
          HA    TRP   49 - QB    ALA   47   4.70 +/- 0.23   6.186% *  3.7683% (0.26   1.0  1.00   3.02  15.67) =   0.393%  kept
        T HA    ALA   47 - QG1   VAL   42  12.16 +/- 1.82   0.521% *  0.6885% (0.72   1.0 10.00   0.02   0.02) =   0.006%
          HA    VAL  108 - QB    ALA   47  10.80 +/- 2.68   0.866% *  0.0881% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QG1   VAL   42  10.77 +/- 2.15   0.613% *  0.0675% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QB    ALA   47  12.13 +/- 3.25   0.601% *  0.0370% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  15.44 +/- 3.43   0.890% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  13.42 +/- 2.21   0.385% *  0.0309% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  15.67 +/- 2.95   0.671% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  13.82 +/- 2.02   0.276% *  0.0283% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.42 +/- 1.69   0.554% *  0.0106% (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 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.7, residual support = 9.18:
    * O T QB    SER   48 - HA    SER   48   2.25 +/- 0.08  78.176% * 96.0221% (1.00  10.0 10.00   1.70   9.18) =  99.957%  kept
        T QB    SER   85 - HB2   SER   82   5.42 +/- 0.40   6.070% *  0.2561% (0.27   1.0 10.00   0.02   2.89) =   0.021%
        T QB    SER   85 - HA    SER   48  15.29 +/- 3.94   0.988% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.008%
          HA2   GLY   51 - HA    SER   48   8.46 +/- 1.46   3.192% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T QB    SER   48 - HB2   SER   82  15.43 +/- 4.28   0.518% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.003%
        T QB    SER  117 - HA    SER   48  19.45 +/- 3.21   0.230% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HA    SER   48  11.63 +/- 1.31   0.705% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA2   GLY   16 - HA    SER   48  25.02 +/- 5.67   0.087% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   48 - HA    VAL   70  19.01 +/- 3.97   0.223% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    VAL   70  11.35 +/- 6.17   2.922% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HB2   SER   82  28.34 +/- 6.21   0.863% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  23.98 +/- 3.26   0.125% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  19.10 +/- 3.02   0.169% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  17.17 +/- 4.26   0.426% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  13.91 +/- 1.45   0.368% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70   9.68 +/- 1.14   1.289% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  21.78 +/- 2.16   0.100% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  13.20 +/- 3.18   0.827% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  24.62 +/- 3.56   0.122% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  23.38 +/- 3.43   0.107% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  18.48 +/- 5.18   0.331% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  16.87 +/- 2.24   0.303% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  29.15 +/- 4.88   0.156% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  19.02 +/- 4.84   0.288% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  26.92 +/- 7.15   0.217% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  22.57 +/- 4.76   0.185% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  23.48 +/- 3.64   0.095% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  22.44 +/- 3.53   0.112% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.93 +/- 1.76   0.692% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  21.40 +/- 2.96   0.110% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 4.15, residual support = 79.0:
    * O T HB2   TRP   49 - HA    TRP   49   2.45 +/- 0.16  87.192% * 50.9151% (1.00  10.0 10.00   4.23  85.95) =  91.486%  kept
        T HB2   TRP   49 - HA    CYS   50   5.44 +/- 0.31   8.599% * 47.9899% (0.94   1.0 10.00   3.34   4.86) =   8.504%  kept
        T HA2   GLY  109 - HA    CYS   50  16.05 +/- 3.74   0.579% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.005%
        T HA2   GLY  109 - HA    TRP   49  18.31 +/- 3.78   0.340% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   84 - HA    CYS   50  15.85 +/- 3.94   0.648% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HA    TRP   49  16.40 +/- 3.42   0.472% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  22.02 +/- 3.57   0.355% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  17.29 +/- 2.12   0.284% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  18.94 +/- 2.66   0.245% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  20.46 +/- 2.66   0.210% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  14.63 +/- 3.15   0.653% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  15.75 +/- 2.17   0.423% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.83, support = 4.12, residual support = 77.1:
    * O T HB3   TRP   49 - HA    TRP   49   2.51 +/- 0.23  86.955% * 51.4295% (0.84  10.0 10.00   4.23  85.95) =  89.063%  kept
        T HB3   TRP   49 - HA    CYS   50   5.69 +/- 0.69  11.327% * 48.4748% (0.79   1.0 10.00   3.28   4.86) =  10.935%  kept
          HB3   PHE   59 - HA    CYS   50  12.06 +/- 1.82   1.091% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   59 - HA    TRP   49  15.19 +/- 2.08   0.627% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.96 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 = 79.0:
    * O T HA    TRP   49 - HB2   TRP   49   2.45 +/- 0.16  85.970% * 51.0809% (1.00  10.0 10.00   4.23  85.95) =  91.462%  kept
        T HA    CYS   50 - HB2   TRP   49   5.44 +/- 0.31   8.478% * 48.3205% (0.95   1.0 10.00   3.34   4.86) =   8.532%  kept
        T HA1   GLY  109 - HB2   TRP   49  18.06 +/- 4.52   0.386% *  0.4930% (0.97   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   47 - HB2   TRP   49   7.10 +/- 0.43   3.686% *  0.0142% (0.28   1.0  1.00   0.02  15.67) =   0.001%
          HA    CYS   21 - HB2   TRP   49  21.59 +/- 4.55   0.775% *  0.0483% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HB2   TRP   49  26.91 +/- 6.09   0.177% *  0.0330% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  17.07 +/- 3.88   0.528% *  0.0101% (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 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 = 3.11, residual support = 85.9:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00  99.840% * 99.9042% (0.84  10.0 10.00   3.11  85.95) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  15.64 +/- 1.68   0.160% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.83, support = 4.12, residual support = 77.1:
    * O T HA    TRP   49 - HB3   TRP   49   2.51 +/- 0.23  82.754% * 51.3085% (0.84  10.0 10.00   4.23  85.95) =  89.034%  kept
        T HA    CYS   50 - HB3   TRP   49   5.69 +/- 0.69  10.772% * 48.5358% (0.79   1.0 10.00   3.28   4.86) =  10.963%  kept
          HA    ALA   47 - HB3   TRP   49   6.68 +/- 0.37   4.825% *  0.0143% (0.23   1.0  1.00   0.02  15.67) =   0.001%
          HA    CYS   21 - HB3   TRP   49  21.65 +/- 4.23   0.630% *  0.0485% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - HB3   TRP   49  18.19 +/- 4.42   0.361% *  0.0495% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  27.00 +/- 5.73   0.156% *  0.0332% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  17.14 +/- 3.84   0.502% *  0.0102% (0.17   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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.11, residual support = 85.9:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.307% * 99.6151% (0.84  10.0 10.00   3.11  85.95) =  99.999%  kept
          HA    ALA   84 - HB3   TRP   49  16.41 +/- 3.52   0.173% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  18.08 +/- 4.23   0.171% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  22.61 +/- 3.72   0.138% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  21.30 +/- 2.72   0.078% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  16.53 +/- 1.88   0.132% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.994, support = 1.93, residual support = 7.3:
    * O T QB    CYS   50 - HA    CYS   50   2.26 +/- 0.13  84.225% * 51.3514% (1.00  10.0 10.00   1.80   7.59) =  89.510%  kept
        T QB    CYS   50 - HA    TRP   49   4.66 +/- 0.30  10.469% * 48.4012% (0.94   1.0 10.00   3.06   4.86) =  10.487%  kept
          QE    LYS+  74 - HA    CYS   50  13.39 +/- 3.94   0.787% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    TRP   49  14.31 +/- 3.45   0.807% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    TRP   49  14.31 +/- 5.48   1.464% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    CYS   50  15.01 +/- 6.16   0.946% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  19.15 +/- 4.20   0.762% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  24.50 +/- 5.28   0.140% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  22.40 +/- 3.65   0.122% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  17.40 +/- 2.35   0.278% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 1.93, residual support = 7.3:
    * O T HA    CYS   50 - QB    CYS   50   2.26 +/- 0.13  81.321% * 50.1534% (1.00  10.0 10.00   1.80   7.59) =  89.189%  kept
        T HA    TRP   49 - QB    CYS   50   4.66 +/- 0.30  10.103% * 47.4431% (0.95   1.0 10.00   3.06   4.86) =  10.482%  kept
          HA    ALA   47 - QB    CYS   50   5.60 +/- 0.58   6.593% *  2.2737% (0.45   1.0  1.00   2.02   6.88) =   0.328%  kept
          HA1   GLY  109 - QB    CYS   50  14.93 +/- 3.16   0.474% *  0.0500% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QB    CYS   50  13.55 +/- 2.86   0.937% *  0.0171% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  16.66 +/- 3.15   0.377% *  0.0402% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  22.43 +/- 4.13   0.194% *  0.0225% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYS   50 - QB    CYS   50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 223.0:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  85.346% * 99.8323% (1.00  10.0 10.00   7.05 222.99) =  99.993%  kept
          HA    LYS+ 111 - HD2   PRO   52  12.61 +/- 2.72   4.124% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HD2   PRO   52  12.13 +/- 4.34   8.111% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    TRP   27 - HD2   PRO   52  22.09 +/- 3.79   0.756% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  16.03 +/- 2.32   1.662% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 223.0:
    * O T HB2   PRO   52 - HD2   PRO   52   3.94 +/- 0.09  95.083% * 99.5699% (1.00  10.0 10.00   6.60 222.99) =  99.993%  kept
        T HG2   MET   96 - HD2   PRO   52  18.17 +/- 2.42   1.334% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.005%
          HB2   ASP-  62 - HD2   PRO   52  15.11 +/- 2.97   3.584% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.997, support = 6.64, residual support = 222.1:
    * O T HB3   PRO   52 - HD2   PRO   52   3.95 +/- 0.09  64.181% * 96.3055% (1.00  10.0 10.00   6.66 222.99) =  99.610%  kept
          HG2   ARG+  54 - HD2   PRO   52   7.22 +/- 0.70  11.534% *  1.9489% (0.38   1.0  1.00   1.08   1.92) =   0.362%  kept
        T HG    LEU  123 - HD2   PRO   52  20.31 +/- 3.37   0.670% *  0.9631% (1.00   1.0 10.00   0.02   0.02) =   0.010%
          HG2   PRO   93 - HD2   PRO   52   9.89 +/- 3.29  10.181% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.005%
        T QB    LYS+  81 - HD2   PRO   52  16.11 +/- 4.37   1.941% *  0.1486% (0.15   1.0 10.00   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HD2   PRO   52  19.51 +/- 3.82   4.823% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HD2   PRO   52  16.75 +/- 3.24   1.670% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   PRO   52  24.91 +/- 3.48   0.357% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD2   PRO   52  21.83 +/- 3.03   0.531% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   52  21.43 +/- 3.43   0.618% *  0.0736% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   PRO   52  15.75 +/- 3.87   1.700% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HD2   PRO   52  23.27 +/- 3.59   0.552% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  22.70 +/- 3.45   0.595% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  23.88 +/- 3.67   0.647% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 223.0:
    * O T HG2   PRO   52 - HD2   PRO   52   2.36 +/- 0.17  93.251% * 99.6094% (1.00  10.0 10.00   6.44 222.99) =  99.995%  kept
          HG2   MET   92 - HD2   PRO   52  10.31 +/- 4.54   4.631% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HD2   PRO   52  17.06 +/- 4.88   0.693% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD2   PRO   52  13.36 +/- 2.15   0.738% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   52  27.48 +/- 5.45   0.137% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.24 +/- 1.22   0.498% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  31.56 +/- 3.87   0.052% *  0.0644% (0.65   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 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 223.0:
    * O T HG3   PRO   52 - HD2   PRO   52   2.81 +/- 0.17  93.625% * 98.5427% (1.00  10.0 10.00   6.44 222.99) =  99.985%  kept
        T HG2   PRO   58 - HD2   PRO   52  12.75 +/- 1.16   1.166% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.012%
          HB2   PRO   93 - HD2   PRO   52   9.54 +/- 2.78   3.964% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLN   32 - HD2   PRO   52  25.34 +/- 4.19   0.360% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HD2   PRO   52  35.80 +/- 6.31   0.121% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  29.10 +/- 4.35   0.106% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  24.22 +/- 3.94   0.257% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  21.98 +/- 4.99   0.401% *  0.0152% (0.15   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 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 223.0:
    * O T HB2   PRO   52 - HA    PRO   52   2.54 +/- 0.21  98.944% * 99.5699% (1.00  10.0 10.00   5.23 222.99) =  99.998%  kept
        T HG2   MET   96 - HA    PRO   52  19.15 +/- 2.29   0.285% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HA    PRO   52  14.49 +/- 2.36   0.771% *  0.0564% (0.57   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 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.18, residual support = 222.7:
    * O T HB3   PRO   52 - HA    PRO   52   2.50 +/- 0.21  75.862% * 98.8795% (1.00  10.0 10.00   6.19 222.99) =  99.887%  kept
          HG2   ARG+  54 - HA    PRO   52   5.91 +/- 1.46  18.607% *  0.4401% (0.38   1.0  1.00   0.24   1.92) =   0.109%  kept
          HG2   PRO   93 - HA    PRO   52   9.79 +/- 3.49   2.453% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    PRO   52  18.31 +/- 3.90   0.305% *  0.1526% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    PRO   52  16.50 +/- 3.10   0.681% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   52  18.38 +/- 3.68   0.331% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  19.50 +/- 3.14   0.461% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  23.06 +/- 4.18   0.305% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  22.28 +/- 3.05   0.170% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  22.83 +/- 2.74   0.130% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  17.42 +/- 3.71   0.316% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  23.55 +/- 2.94   0.130% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  25.68 +/- 3.34   0.103% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  24.59 +/- 3.15   0.150% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.0:
    * O T HG2   PRO   52 - HA    PRO   52   3.96 +/- 0.03  76.948% * 99.6094% (1.00  10.0 10.00   5.98 222.99) =  99.981%  kept
          HG2   MET   92 - HA    PRO   52  11.40 +/- 4.58  14.888% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.013%
          QG    GLU- 114 - HA    PRO   52  12.50 +/- 1.76   3.130% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    PRO   52  19.20 +/- 4.44   1.637% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HA    PRO   52  28.80 +/- 5.77   0.707% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PRO   52  12.88 +/- 1.14   2.516% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HA    PRO   52  32.30 +/- 3.65   0.174% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.27 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 222.9:
    * O T HG3   PRO   52 - HA    PRO   52   3.89 +/- 0.03  83.955% * 98.7160% (1.00  10.0 10.00   5.95 222.99) =  99.946%  kept
        T HG2   PRO   58 - HA    PRO   52  11.10 +/- 1.19   4.184% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.050%
          HB2   PRO   93 - HA    PRO   52   9.80 +/- 2.69   9.173% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PRO   68 - HA    PRO   52  24.08 +/- 4.50   0.791% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   52  29.55 +/- 4.28   0.259% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  36.37 +/- 5.74   0.178% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.37 +/- 5.26   0.922% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  26.27 +/- 3.88   0.537% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.68 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 223.0:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  87.058% * 99.4673% (1.00  10.0 10.00   7.05 222.99) =  99.991%  kept
          HA    SER   48 - HA    PRO   52  10.76 +/- 1.76   6.113% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          HA    ALA   88 - HA    PRO   52  20.41 +/- 2.96   0.807% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    PRO   52  18.71 +/- 2.34   1.039% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    PRO   52  20.14 +/- 2.74   0.795% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  29.24 +/- 4.05   0.390% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  21.77 +/- 3.73   0.851% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  18.52 +/- 2.83   1.193% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  26.88 +/- 4.73   0.406% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.96 +/- 3.24   0.480% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  28.49 +/- 4.67   0.598% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  30.00 +/- 3.65   0.270% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.67 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 223.0:
    * O T HA    PRO   52 - HB2   PRO   52   2.54 +/- 0.21  88.163% * 99.4915% (1.00  10.0 10.00   5.23 222.99) =  99.995%  kept
          HA    LYS+ 111 - HB2   PRO   52  10.58 +/- 3.82   3.674% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HB2   PRO   52  12.60 +/- 5.07   2.946% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - HG2   MET   96  19.15 +/- 2.29   0.254% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   MET   96   8.85 +/- 0.95   2.500% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  14.88 +/- 2.62   0.649% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  22.93 +/- 4.27   0.202% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.97 +/- 2.09   0.513% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  15.70 +/- 2.86   0.517% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  14.42 +/- 1.48   0.584% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 0.997, support = 6.44, residual support = 222.1:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  73.394% * 96.6743% (1.00  10.0 10.00   6.45 222.99) =  99.595%  kept
          HG12  ILE  103 - HG2   MET   96   4.60 +/- 1.85  13.213% *  2.1596% (0.26   1.0  1.00   1.70   6.81) =   0.401%  kept
          HG2   PRO   93 - HB2   PRO   52   8.96 +/- 4.53   3.886% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HB2   PRO   52   7.94 +/- 1.32   1.215% *  0.0363% (0.38   1.0  1.00   0.02   1.92) =   0.001%
          HB    ILE  103 - HG2   MET   96   5.93 +/- 1.63   3.074% *  0.0117% (0.12   1.0  1.00   0.02   6.81) =   0.001%
        T HB3   PRO   52 - HG2   MET   96  18.32 +/- 2.39   0.080% *  0.2840% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   MET   96   9.78 +/- 2.87   1.044% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  17.77 +/- 4.27   0.112% *  0.1492% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   7.51 +/- 1.13   1.142% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  18.49 +/- 3.77   0.106% *  0.0967% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  14.29 +/- 2.20   0.205% *  0.0438% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  16.65 +/- 3.20   0.141% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  18.79 +/- 3.43   0.146% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  21.66 +/- 3.21   0.057% *  0.0739% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.06 +/- 2.88   0.256% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  21.91 +/- 2.77   0.046% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   8.92 +/- 1.16   0.732% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  16.43 +/- 4.35   0.159% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.42 +/- 1.68   0.281% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  23.14 +/- 3.77   0.057% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  18.95 +/- 3.25   0.070% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  22.61 +/- 2.92   0.044% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  13.31 +/- 1.83   0.213% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.99 +/- 3.58   0.088% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  25.36 +/- 3.70   0.031% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  23.84 +/- 3.15   0.048% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  17.18 +/- 2.37   0.097% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  20.35 +/- 3.07   0.063% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 222.9:
    * O T HG2   PRO   52 - HB2   PRO   52   2.59 +/- 0.32  85.782% * 99.0079% (1.00  10.0 10.00   6.18 222.99) =  99.975%  kept
          HG2   MET   92 - HB2   PRO   52  10.64 +/- 5.16   6.668% *  0.2631% (0.65   1.0  1.00   0.08   0.02) =   0.021%
        T HG2   PRO   52 - HG2   MET   96  17.45 +/- 2.36   0.448% *  0.2908% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HB2   PRO   52  11.67 +/- 2.41   1.478% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB2   PRO   52  18.73 +/- 4.80   0.475% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  14.14 +/- 3.35   1.573% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  12.28 +/- 1.20   0.907% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  28.61 +/- 5.86   0.190% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.30 +/- 1.60   0.766% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.44 +/- 1.19   0.487% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  22.64 +/- 3.74   0.211% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  31.86 +/- 3.79   0.064% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  21.84 +/- 3.16   0.188% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  17.09 +/- 3.34   0.761% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 222.9:
    * O T HG3   PRO   52 - HB2   PRO   52   2.59 +/- 0.26  85.568% * 98.0617% (1.00  10.0 10.00   6.16 222.99) =  99.977%  kept
        T HG2   PRO   58 - HB2   PRO   52  11.56 +/- 1.54   1.476% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.017%
          HB2   PRO   93 - HB2   PRO   52   9.01 +/- 3.85   8.099% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   PRO   58 - HG2   MET   96  17.06 +/- 2.99   0.375% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG2   MET   96  18.52 +/- 2.77   0.327% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HG2   MET   96  22.71 +/- 4.69   0.643% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.26 +/- 1.38   1.456% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  29.41 +/- 4.72   0.098% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  36.41 +/- 5.98   0.073% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  24.14 +/- 4.13   0.155% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  23.10 +/- 5.49   0.312% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  31.33 +/- 6.03   0.110% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.56 +/- 2.65   0.267% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  25.91 +/- 4.13   0.131% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  17.22 +/- 4.58   0.518% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  17.13 +/- 2.60   0.392% *  0.0057% (0.06   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 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 223.0:
    * O T HD2   PRO   52 - HB2   PRO   52   3.94 +/- 0.09  71.799% * 99.0230% (1.00  10.0 10.00   6.60 222.99) =  99.984%  kept
          HA    SER   48 - HB2   PRO   52  10.91 +/- 1.64   4.218% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   PRO   52 - HG2   MET   96  18.17 +/- 2.42   1.005% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   88 - HG2   MET   96  11.34 +/- 1.66   3.763% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   PRO   52  19.33 +/- 3.70   0.891% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB2   PRO   52  18.85 +/- 2.58   0.804% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   MET   96  12.40 +/- 1.60   2.819% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   PRO   52  19.29 +/- 3.37   0.779% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG2   MET   96  17.27 +/- 3.32   1.766% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HG2   MET   96  18.27 +/- 3.30   1.023% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  28.80 +/- 4.32   0.298% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  18.41 +/- 2.97   1.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  21.75 +/- 4.24   0.689% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  15.41 +/- 2.56   1.759% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  16.81 +/- 1.64   1.056% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  26.91 +/- 5.03   0.329% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  21.38 +/- 4.44   1.071% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  23.21 +/- 3.79   0.432% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  16.78 +/- 3.75   1.537% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  28.17 +/- 4.91   0.385% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  19.34 +/- 2.90   0.772% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  18.05 +/- 3.31   0.921% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  29.61 +/- 4.04   0.219% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  19.79 +/- 2.56   0.666% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.0:
    * O T HA    PRO   52 - HB3   PRO   52   2.50 +/- 0.21  90.579% * 99.6990% (1.00  10.0 10.00   6.19 222.99) =  99.996%  kept
          HA    LYS+ 111 - HB3   PRO   52  10.34 +/- 3.56   3.296% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB3   PRO   52  12.38 +/- 4.55   1.813% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - QB    LYS+  81  18.31 +/- 3.90   0.360% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  14.81 +/- 2.37   0.609% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.20 +/- 4.30   0.208% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.99 +/- 2.99   1.792% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  16.56 +/- 4.80   0.578% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  18.85 +/- 3.33   0.334% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  17.59 +/- 2.14   0.431% *  0.0023% (0.02   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 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 223.0:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.117% * 99.4073% (1.00  10.0 10.00   6.45 222.99) =  99.999%  kept
        T HG2   MET   96 - HB3   PRO   52  18.32 +/- 2.39   0.108% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  17.77 +/- 4.27   0.151% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  14.83 +/- 2.82   0.255% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  14.29 +/- 2.20   0.275% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  19.58 +/- 2.79   0.095% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.21, residual support = 222.8:
    * O T HG2   PRO   52 - HB3   PRO   52   2.66 +/- 0.32  71.180% * 99.2087% (1.00  10.0 10.00   6.21 222.99) =  99.934%  kept
          HG2   MET   92 - HB3   PRO   52  10.40 +/- 4.78  14.691% *  0.2922% (0.65   1.0  1.00   0.09   0.02) =   0.061%
          QG    GLU- 114 - HB3   PRO   52  11.55 +/- 2.20   1.532% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   52 - QB    LYS+  81  16.25 +/- 4.30   0.630% *  0.1138% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - QB    LYS+  81   6.84 +/- 0.79   4.861% *  0.0091% (0.09   1.0  1.00   0.02   1.30) =   0.001%
          HB2   GLU-  79 - HB3   PRO   52  18.85 +/- 4.33   0.538% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QB    LYS+  81  12.31 +/- 4.09   4.189% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.38 +/- 1.66   0.781% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  28.88 +/- 5.76   0.122% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  18.79 +/- 6.88   0.758% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  32.24 +/- 3.78   0.048% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  17.54 +/- 2.34   0.351% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  21.16 +/- 2.57   0.164% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  26.09 +/- 4.68   0.155% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.17, residual support = 222.3:
    * O T HG3   PRO   52 - HB3   PRO   52   2.54 +/- 0.26  88.675% * 92.7586% (1.00  10.0 10.00   6.19 222.99) =  99.704%  kept
        T HB2   PRO   93 - HB3   PRO   52   9.22 +/- 2.83   3.967% *  5.8187% (0.31   1.0 10.00   0.41   0.02) =   0.280%  kept
        T HG2   PRO   58 - HB3   PRO   52  11.62 +/- 1.53   1.268% *  0.9276% (1.00   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   PRO   52 - QB    LYS+  81  16.76 +/- 4.68   0.533% *  0.1064% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - QB    LYS+  81  20.93 +/- 2.18   0.217% *  0.1064% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  29.79 +/- 4.96   0.084% *  0.0919% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  24.57 +/- 4.32   0.220% *  0.0348% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  13.83 +/- 7.11   3.091% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  36.86 +/- 6.12   0.047% *  0.0909% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  23.32 +/- 5.54   0.279% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  26.19 +/- 4.19   0.182% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  13.76 +/- 2.09   0.726% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  24.90 +/- 3.90   0.123% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  19.58 +/- 4.82   0.342% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  24.42 +/- 3.21   0.178% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  30.96 +/- 4.97   0.067% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.996, support = 6.65, residual support = 222.2:
    * O T HD2   PRO   52 - HB3   PRO   52   3.95 +/- 0.09  39.842% * 97.2469% (1.00  10.0 10.00   6.66 222.99) =  99.614%  kept
          HB2   SER   82 - QB    LYS+  81   5.31 +/- 0.61  18.758% *  0.7480% (0.04   1.0  1.00   3.93  13.26) =   0.361%  kept
          HA    SER   48 - HB3   PRO   52  10.94 +/- 1.84   2.862% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.005%
        T HA    GLN   32 - HB3   PRO   52  29.11 +/- 4.48   0.183% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   PRO   52 - QB    LYS+  81  16.11 +/- 4.37   0.973% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.003%
          HA    SER   48 - QB    LYS+  81  12.15 +/- 5.12  11.651% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QB    LYS+  81   5.47 +/- 0.54  16.135% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB3   PRO   52  28.47 +/- 4.93   0.234% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB3   PRO   52  19.24 +/- 3.05   0.463% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  22.25 +/- 5.11   0.355% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - QB    LYS+  81   9.27 +/- 1.13   3.409% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB3   PRO   52  19.17 +/- 2.73   0.460% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB3   PRO   52  19.19 +/- 2.86   0.435% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB3   PRO   52  29.95 +/- 4.08   0.127% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  22.02 +/- 4.37   0.503% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  20.76 +/- 5.25   0.453% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  18.46 +/- 3.04   0.595% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  27.22 +/- 5.24   0.199% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  23.15 +/- 3.32   0.240% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  23.53 +/- 4.56   0.397% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  19.26 +/- 3.47   0.596% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  24.59 +/- 5.21   0.402% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  19.32 +/- 4.43   0.461% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  25.20 +/- 3.05   0.269% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.52 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.0:
    * O T HA    PRO   52 - HG2   PRO   52   3.96 +/- 0.03  77.332% * 99.8323% (1.00  10.0 10.00   5.98 222.99) =  99.988%  kept
          HA    LYS+ 111 - HG2   PRO   52  11.03 +/- 3.30   7.344% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   91 - HG2   PRO   52  11.40 +/- 4.89  12.705% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL  107 - HG2   PRO   52  14.79 +/- 2.48   1.923% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  22.20 +/- 4.24   0.696% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 223.0:
    * O T HB2   PRO   52 - HG2   PRO   52   2.59 +/- 0.32  98.451% * 99.5699% (1.00  10.0 10.00   6.18 222.99) =  99.997%  kept
        T HG2   MET   96 - HG2   PRO   52  17.45 +/- 2.36   0.514% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  62 - HG2   PRO   52  14.96 +/- 2.89   1.035% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 223.0:
    * O T HB3   PRO   52 - HG2   PRO   52   2.66 +/- 0.32  77.762% * 99.2796% (1.00  10.0 10.00   6.21 222.99) =  99.989%  kept
          HG2   PRO   93 - HG2   PRO   52   8.85 +/- 4.01  15.111% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.006%
        T QB    LYS+  81 - HG2   PRO   52  16.25 +/- 4.30   0.712% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   52   8.50 +/- 0.92   2.676% *  0.0373% (0.38   1.0  1.00   0.02   1.92) =   0.001%
          HB3   ASP- 105 - HG2   PRO   52  18.64 +/- 3.66   0.995% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  19.54 +/- 3.56   0.331% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  16.86 +/- 3.14   0.450% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  21.09 +/- 3.56   0.239% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  21.17 +/- 2.69   0.197% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  15.16 +/- 4.12   0.869% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  21.93 +/- 2.93   0.189% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  23.35 +/- 3.44   0.155% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  24.91 +/- 3.74   0.129% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  23.31 +/- 3.25   0.185% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.0:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  97.450% * 98.7160% (1.00  10.0 10.00   5.97 222.99) =  99.996%  kept
        T HG2   PRO   58 - HG2   PRO   52  12.42 +/- 1.28   0.325% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HG2   PRO   52   8.72 +/- 3.41   1.939% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HG2   PRO   52  29.20 +/- 4.69   0.029% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  36.19 +/- 6.31   0.027% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  24.33 +/- 3.78   0.056% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  22.15 +/- 5.41   0.110% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  25.33 +/- 4.28   0.064% *  0.0195% (0.20   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 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 223.0:
    * O T HD2   PRO   52 - HG2   PRO   52   2.36 +/- 0.17  95.553% * 99.4673% (1.00  10.0 10.00   6.44 222.99) =  99.997%  kept
          HA    SER   48 - HG2   PRO   52   9.08 +/- 1.59   2.517% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HG2   PRO   52  17.98 +/- 3.30   0.323% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  18.78 +/- 2.84   0.268% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  17.93 +/- 3.12   0.287% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  28.18 +/- 4.58   0.108% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  21.42 +/- 4.28   0.246% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  21.64 +/- 3.62   0.166% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  26.83 +/- 5.00   0.106% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  19.38 +/- 2.76   0.225% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  27.48 +/- 4.97   0.128% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  29.11 +/- 4.16   0.074% *  0.0153% (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 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 222.9:
    * O T HA    PRO   52 - HG3   PRO   52   3.89 +/- 0.03  70.655% * 98.8988% (1.00  10.0 10.00   5.95 222.99) =  99.945%  kept
        T HA    PRO   52 - HG2   PRO   58  11.10 +/- 1.19   3.533% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.040%
          HA    LYS+ 111 - HG3   PRO   52  11.60 +/- 3.52   6.137% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   91 - HG3   PRO   52  11.94 +/- 5.00   8.627% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HG2   PRO   58  12.73 +/- 2.55   3.744% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - HG2   PRO   58  13.04 +/- 3.71   3.531% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG2   PRO   58  19.99 +/- 3.80   0.890% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG3   PRO   52  23.18 +/- 4.74   0.631% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  15.80 +/- 2.47   1.341% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  17.99 +/- 2.56   0.912% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.19 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.0:
    * O T HB2   PRO   52 - HG3   PRO   52   2.59 +/- 0.26  91.748% * 98.4337% (1.00  10.0 10.00   6.16 222.99) =  99.980%  kept
        T HB2   PRO   52 - HG2   PRO   58  11.56 +/- 1.54   1.583% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.014%
          HB2   ASP-  62 - HG2   PRO   58   7.53 +/- 1.20   5.262% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   MET   96 - HG3   PRO   52  18.52 +/- 2.77   0.351% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   96 - HG2   PRO   58  17.06 +/- 2.99   0.402% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG3   PRO   52  16.04 +/- 2.96   0.654% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 0.999, support = 6.18, residual support = 222.9:
    * O T HB3   PRO   52 - HG3   PRO   52   2.54 +/- 0.26  73.997% * 97.4419% (1.00  10.0 10.00   6.19 222.99) =  99.941%  kept
        T HG2   PRO   93 - HG3   PRO   52   9.69 +/- 3.87   7.276% *  0.3008% (0.31   1.0 10.00   0.02   0.02) =   0.030%
        T HB3   PRO   52 - HG2   PRO   58  11.62 +/- 1.53   1.056% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   PRO   93 - HG2   PRO   58  12.05 +/- 3.76   1.749% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU  123 - HG2   PRO   58  10.17 +/- 2.81   3.645% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HG3   PRO   52   8.93 +/- 1.08   2.495% *  0.0366% (0.38   1.0  1.00   0.02   1.92) =   0.001%
        T QB    LYS+  81 - HG3   PRO   52  16.76 +/- 4.68   0.444% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   58  12.39 +/- 2.44   1.008% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG2   PRO   58  14.74 +/- 4.83   1.625% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG3   PRO   52  19.70 +/- 3.89   1.163% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.34 +/- 1.33   1.296% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG3   PRO   52  17.66 +/- 3.53   0.458% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  20.93 +/- 2.18   0.181% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  20.48 +/- 3.77   0.222% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  20.05 +/- 3.60   0.305% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  22.07 +/- 3.94   0.273% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  22.21 +/- 3.20   0.186% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  19.18 +/- 2.85   0.264% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  15.69 +/- 4.29   0.546% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  20.61 +/- 3.80   0.264% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  18.75 +/- 2.24   0.233% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  22.96 +/- 3.36   0.202% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  24.17 +/- 3.99   0.182% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  24.19 +/- 3.73   0.272% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  22.09 +/- 3.73   0.159% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.02 +/- 2.72   0.187% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  25.74 +/- 4.09   0.107% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  21.43 +/- 3.47   0.207% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 0.958, support = 5.89, residual support = 219.4:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  67.957% * 86.8129% (1.00  10.0 10.00   5.97 222.99) =  95.223%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.43 +/- 0.25  27.254% * 10.8440% (0.12  10.0 10.00   4.29 148.05) =   4.770%  kept
          HG2   MET   92 - HG3   PRO   52  10.16 +/- 5.02   3.040% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   PRO   52 - HG2   PRO   58  12.42 +/- 1.28   0.228% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HG2   PRO   58  10.92 +/- 2.30   0.543% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  12.76 +/- 2.44   0.345% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  14.98 +/- 1.65   0.130% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  18.15 +/- 5.23   0.179% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  28.32 +/- 4.13   0.020% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  32.34 +/- 4.35   0.014% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  16.00 +/- 3.67   0.150% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  19.82 +/- 3.13   0.063% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  26.55 +/- 5.70   0.044% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.61 +/- 6.15   0.034% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 222.9:
    * O T HD2   PRO   52 - HG3   PRO   52   2.81 +/- 0.17  81.560% * 96.1754% (1.00  10.0 10.00   6.44 222.99) =  99.976%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.75 +/- 1.16   0.998% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.010%
          HA    SER   48 - HG2   PRO   58  15.86 +/- 3.56   7.314% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.005%
          HA    SER   48 - HG3   PRO   52   9.75 +/- 1.50   2.319% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   PRO   52  29.14 +/- 5.04   0.138% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG2   PRO   58  25.52 +/- 3.78   0.146% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG2   PRO   58  10.56 +/- 2.17   2.882% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HG3   PRO   52  28.42 +/- 5.43   0.166% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   PRO   52  18.69 +/- 3.49   0.415% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  25.09 +/- 4.31   0.185% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  13.87 +/- 1.85   0.800% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  18.48 +/- 3.42   0.399% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  25.97 +/- 3.88   0.140% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  19.71 +/- 3.16   0.306% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  22.53 +/- 2.75   0.196% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  30.04 +/- 4.61   0.093% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  17.65 +/- 2.71   0.464% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  22.38 +/- 3.14   0.204% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  22.35 +/- 4.89   0.288% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  22.15 +/- 2.19   0.195% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  22.31 +/- 3.98   0.221% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  27.65 +/- 5.69   0.131% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  20.35 +/- 2.94   0.292% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  25.43 +/- 3.07   0.149% *  0.0266% (0.28   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 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 2.96, residual support = 44.5:
    * O T HB2   CYS   53 - HA    CYS   53   2.96 +/- 0.13  80.330% * 89.5548% (1.00  10.0 10.00   2.96  44.34) =  98.775%  kept
          HD3   PRO   52 - HA    CYS   53   6.21 +/- 0.05   8.803% * 10.0754% (0.69   1.0  1.00   3.28  55.41) =   1.218%  kept
          HD2   PRO   58 - HA    CYS   53   6.95 +/- 1.15   9.903% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   SER   82 - HA    CYS   53  21.96 +/- 2.65   0.237% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    CYS   53  23.28 +/- 3.14   0.266% *  0.0684% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  19.85 +/- 2.42   0.329% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.01 +/- 2.18   0.132% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.36, residual support = 43.7:
    * O T HB3   CYS   53 - HA    CYS   53   2.54 +/- 0.20  64.950% * 79.0144% (1.00  10.0 10.00   3.38  44.34) =  97.909%  kept
          QB    PHE   55 - HA    CYS   53   4.46 +/- 0.57  14.120% *  4.0582% (0.87   1.0  1.00   1.18   0.02) =   1.093%  kept
          HD2   ARG+  54 - HA    CYS   53   7.48 +/- 0.54   2.678% * 16.1592% (0.99   1.0  1.00   4.13  31.75) =   0.825%  kept
          HD3   PRO   93 - HA    CYS   53   9.13 +/- 4.78  13.622% *  0.6474% (0.95   1.0  1.00   0.17   0.02) =   0.168%  kept
          HB2   PHE   59 - HA    CYS   53   7.56 +/- 1.72   4.384% *  0.0479% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          HD3   PRO   68 - HA    CYS   53  18.59 +/- 2.07   0.247% *  0.0729% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.3:
    * O T HA    CYS   53 - HB2   CYS   53   2.96 +/- 0.13  97.059% * 98.9901% (1.00  10.0 10.00   2.96  44.34) =  99.992%  kept
        T HA    GLU-  25 - HB2   CYS   53  23.98 +/- 4.32   0.838% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.006%
        T HA    SER   82 - HB2   CYS   53  20.70 +/- 3.42   0.463% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB2   CYS   53  19.71 +/- 2.40   0.392% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  23.61 +/- 3.86   0.458% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  15.52 +/- 2.01   0.791% *  0.0196% (0.20   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 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.46, residual support = 44.2:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  92.616% * 79.2578% (1.00  10.0 10.00   3.46  44.34) =  99.458%  kept
          HD2   ARG+  54 - HB2   CYS   53   6.86 +/- 0.92   1.908% * 17.3714% (0.99   1.0  1.00   4.42  31.75) =   0.449%  kept
          QB    PHE   55 - HB2   CYS   53   6.25 +/- 0.34   2.103% *  3.1746% (0.87   1.0  1.00   0.92   0.02) =   0.090%
          HD3   PRO   93 - HB2   CYS   53   9.80 +/- 4.38   1.997% *  0.0750% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   CYS   53   9.27 +/- 1.87   1.269% *  0.0481% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HB2   CYS   53  18.92 +/- 2.51   0.107% *  0.0732% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.38, residual support = 44.3:
    * O T HA    CYS   53 - HB3   CYS   53   2.54 +/- 0.20  98.311% * 99.7562% (1.00  10.0 10.00   3.38  44.34) =  99.999%  kept
          HA    ILE   19 - HB3   CYS   53  19.47 +/- 2.74   0.273% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  23.76 +/- 4.12   0.285% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  14.88 +/- 2.04   0.630% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  23.37 +/- 3.81   0.196% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  20.26 +/- 3.15   0.307% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.46, residual support = 44.4:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  95.330% * 86.6347% (1.00  10.0 10.00   3.46  44.34) =  99.573%  kept
          HD3   PRO   52 - HB3   CYS   53   5.96 +/- 0.66   2.686% * 13.1619% (0.69   1.0  1.00   4.42  55.41) =   0.426%  kept
          HD2   PRO   58 - HB3   CYS   53   8.34 +/- 1.72   1.703% *  0.0456% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HB3   CYS   53  22.80 +/- 3.10   0.074% *  0.0662% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  18.96 +/- 2.63   0.100% *  0.0388% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  20.88 +/- 3.01   0.073% *  0.0171% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  25.73 +/- 2.30   0.034% *  0.0356% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 170.3:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.82 +/- 0.16  72.307% * 98.6035% (1.00  10.0 10.00   5.73 170.28) =  99.981%  kept
          HB2   PRO   93 - HA    ARG+  54  10.46 +/- 3.31   4.770% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HB    ILE  119 - HA    LEU  115   6.06 +/- 0.99  10.975% *  0.0263% (0.27   1.0  1.00   0.02  10.06) =   0.004%
        T HB2   ARG+  54 - HA    LEU  115  14.64 +/- 1.22   0.566% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HA    LEU  115   9.01 +/- 3.02   4.881% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    ARG+  54  13.28 +/- 1.97   1.063% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115   9.50 +/- 2.00   2.376% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ARG+  54  17.75 +/- 3.20   0.501% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    ARG+  54  21.91 +/- 3.44   0.282% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  26.86 +/- 3.78   0.106% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  21.85 +/- 3.40   0.271% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  33.55 +/- 5.69   0.085% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  21.06 +/- 3.98   0.590% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.28 +/- 3.27   0.280% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  28.79 +/- 3.37   0.081% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  21.80 +/- 3.54   0.273% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  27.14 +/- 3.15   0.098% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  23.38 +/- 2.39   0.143% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  35.35 +/- 4.35   0.048% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  20.74 +/- 3.54   0.304% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.14 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 0.995, support = 5.64, residual support = 168.9:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.70 +/- 0.61  66.212% * 86.8951% (1.00  10.0 10.00   5.69 170.28) =  99.165%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.72 +/- 0.37   4.215% *  8.9052% (0.38   1.0 10.00   0.55   1.92) =   0.647%  kept
          HB    ILE   56 - HA    ARG+  54   6.54 +/- 0.86   8.512% *  1.0611% (0.41   1.0  1.00   0.59   0.11) =   0.156%  kept
        T HG3   PRO   68 - HA    ARG+  54  20.41 +/- 4.15   0.663% *  0.8613% (0.99   1.0 10.00   0.02   0.02) =   0.010%
        T QB    LYS+  81 - HA    ARG+  54  18.77 +/- 3.64   0.400% *  0.7538% (0.87   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   ARG+  54 - HA    LEU  115  14.71 +/- 1.74   0.750% *  0.2674% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   PRO   68 - HA    LEU  115  19.75 +/- 4.30   0.582% *  0.2650% (0.30   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   52 - HA    LEU  115  12.52 +/- 2.08   1.258% *  0.1004% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HA    ARG+  54  16.40 +/- 2.86   1.113% *  0.0726% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LEU  115  10.22 +/- 3.29   2.549% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  115   9.06 +/- 1.97   2.719% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    LEU  115  19.54 +/- 2.12   0.261% *  0.2319% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LEU  115   8.22 +/- 1.17   3.696% *  0.0110% (0.13   1.0  1.00   0.02   0.10) =   0.001%
          HB3   GLN   90 - HA    ARG+  54  19.10 +/- 3.96   0.477% *  0.0802% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ARG+  54  23.78 +/- 3.62   0.391% *  0.0839% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ARG+  54  18.79 +/- 2.97   0.336% *  0.0867% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    ARG+  54  23.16 +/- 3.37   0.251% *  0.0867% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  16.35 +/- 2.92   0.545% *  0.0326% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.95 +/- 1.33   1.669% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.90 +/- 2.52   0.486% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  16.92 +/- 2.75   0.464% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  21.87 +/- 3.70   0.805% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.58 +/- 4.04   0.290% *  0.0258% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  22.25 +/- 3.35   0.333% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  28.17 +/- 4.72   0.146% *  0.0242% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  15.95 +/- 2.35   0.518% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  25.39 +/- 3.09   0.136% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.46 +/- 3.09   0.226% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.14 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.984, support = 5.41, residual support = 146.6:
    *   T HD2   ARG+  54 - HA    ARG+  54   4.00 +/- 0.72  34.335% * 72.3436% (1.00 10.00   5.63 170.28) =  84.351%  kept
          HB3   CYS   53 - HA    ARG+  54   5.26 +/- 0.49  16.409% * 14.8654% (0.99  1.00   4.15  31.75) =   8.283%  kept
          QB    PHE   55 - HA    ARG+  54   5.09 +/- 0.11  17.511% * 12.3118% (0.80  1.00   4.25   4.27) =   7.321%  kept
          HD3   PRO   93 - HA    ARG+  54  11.67 +/- 4.35   9.914% *  0.0649% (0.90  1.00   0.02   0.02) =   0.022%
          HB2   PHE   59 - HA    ARG+  54   8.64 +/- 1.57   5.185% *  0.0381% (0.53  1.00   0.02   0.02) =   0.007%
        T HD2   ARG+  54 - HA    LEU  115  15.50 +/- 1.53   0.717% *  0.2226% (0.31 10.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HA    LEU  115   7.38 +/- 0.82   6.034% *  0.0117% (0.16  1.00   0.02  29.62) =   0.002%
          QB    PHE   55 - HA    LEU  115   9.79 +/- 1.74   3.553% *  0.0178% (0.25  1.00   0.02   4.96) =   0.002%
          HD3   PRO   68 - HA    ARG+  54  18.50 +/- 3.60   0.940% *  0.0628% (0.87  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HA    LEU  115  11.37 +/- 2.51   2.291% *  0.0200% (0.28  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - HA    LEU  115  12.09 +/- 2.27   2.051% *  0.0221% (0.30  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    LEU  115  18.04 +/- 4.03   1.061% *  0.0193% (0.27  1.00   0.02   0.02) =   0.001%
    Distance limit 4.70 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 = 170.3:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.82 +/- 0.16  87.767% * 98.5625% (1.00  10.0 10.00   5.73 170.28) =  99.992%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.64 +/- 1.22   0.687% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HA    ASN   28 - HB2   ARG+  54  24.97 +/- 5.18   1.909% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HB2   ARG+  54  19.84 +/- 4.31   0.576% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  23.72 +/- 3.17   0.204% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  26.86 +/- 3.78   0.130% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  16.96 +/- 3.77   1.498% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.23 +/- 2.82   1.657% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  27.14 +/- 3.15   0.119% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  33.55 +/- 5.69   0.104% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  15.92 +/- 3.32   1.184% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  16.75 +/- 1.75   0.510% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  26.66 +/- 3.78   0.143% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  26.66 +/- 7.25   0.285% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  32.33 +/- 4.26   0.075% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  21.10 +/- 5.38   0.715% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  35.35 +/- 4.35   0.059% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  21.46 +/- 6.67   0.829% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  28.88 +/- 3.78   0.102% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  20.41 +/- 4.06   0.494% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  23.76 +/- 4.71   0.211% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.68 +/- 4.17   0.129% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.53 +/- 8.02   0.335% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  34.69 +/- 8.36   0.084% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  33.76 +/- 5.34   0.078% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  31.14 +/- 3.40   0.078% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  39.19 +/- 4.54   0.040% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.992, support = 4.96, residual support = 161.0:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.84 +/- 0.60  64.222% * 74.0102% (1.00  10.0 10.00   5.05 170.28) =  93.990%  kept
          QB    PHE   55 - HB2   ARG+  54   4.75 +/- 0.56  16.817% * 10.4477% (0.80   1.0  1.00   3.53   4.27) =   3.474%  kept
          HB3   CYS   53 - HB2   ARG+  54   6.16 +/- 0.63   9.079% * 13.6570% (0.99   1.0  1.00   3.72  31.75) =   2.452%  kept
        T HD3   PRO   93 - HB2   ARG+  54  11.90 +/- 4.50   5.641% *  0.6637% (0.90   1.0 10.00   0.02   0.02) =   0.074%
        T HD3   PRO   68 - HB2   ARG+  54  20.13 +/- 4.16   0.488% *  0.6420% (0.87   1.0 10.00   0.02   0.02) =   0.006%
        T HD3   PRO   68 - HB2   GLU-  14  15.82 +/- 3.63   0.737% *  0.0944% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HB2   ARG+  54  10.70 +/- 1.34   1.784% *  0.0389% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HG2   MET   11  23.13 +/- 3.76   0.207% *  0.0621% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  29.19 +/- 4.50   0.097% *  0.1088% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  28.91 +/- 3.08   0.099% *  0.0976% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  35.39 +/- 6.34   0.059% *  0.0716% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  36.15 +/- 4.60   0.054% *  0.0642% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  26.56 +/- 3.59   0.112% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  23.12 +/- 3.08   0.211% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  25.52 +/- 3.14   0.138% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  33.50 +/- 5.87   0.102% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  31.80 +/- 4.45   0.073% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  30.98 +/- 4.02   0.081% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 170.2:
    *   T HA    ARG+  54 - HD2   ARG+  54   4.00 +/- 0.72  88.910% * 99.0328% (1.00 10.00   5.63 170.28) =  99.981%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.50 +/- 1.53   2.056% *  0.6007% (0.61 10.00   0.02   0.02) =   0.014%
          HA    ASN   28 - HD2   ARG+  54  26.11 +/- 5.14   4.245% *  0.0641% (0.65  1.00   0.02   0.02) =   0.003%
          HA    LYS+  81 - HD2   ARG+  54  21.24 +/- 4.18   1.006% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HD2   ARG+  54  24.11 +/- 3.06   0.593% *  0.0971% (0.98  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HD2   ARG+  54  17.40 +/- 2.17   2.096% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  27.61 +/- 3.69   0.502% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  33.24 +/- 4.17   0.274% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  29.99 +/- 4.08   0.319% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.04 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 170.2:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.84 +/- 0.60  93.369% * 97.9068% (1.00  10.0 10.00   5.05 170.28) =  99.969%  kept
        T HB2   PRO   93 - HD2   ARG+  54  12.53 +/- 2.76   2.921% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.027%
        T HG3   GLN   30 - HD2   ARG+  54  24.53 +/- 3.38   0.228% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HD2   ARG+  54  19.80 +/- 3.13   0.801% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD2   ARG+  54  15.60 +/- 1.80   0.864% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HD2   ARG+  54  22.70 +/- 5.56   1.238% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  29.19 +/- 4.50   0.148% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  24.66 +/- 3.33   0.232% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  35.39 +/- 6.34   0.089% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  31.21 +/- 4.15   0.112% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 0.997, support = 4.86, residual support = 169.5:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.71 +/- 0.21  88.834% * 88.7169% (1.00  10.0 10.00   4.88 170.28) =  99.523%  kept
        T HB3   PRO   52 - HD2   ARG+  54   8.49 +/- 1.26   3.904% *  9.0919% (0.38   1.0 10.00   0.55   1.92) =   0.448%  kept
        T HG3   PRO   68 - HD2   ARG+  54  22.10 +/- 5.54   1.990% *  0.8793% (0.99   1.0 10.00   0.02   0.02) =   0.022%
        T QB    LYS+  81 - HD2   ARG+  54  20.26 +/- 4.13   0.359% *  0.7696% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HD2   ARG+  54   9.41 +/- 1.17   2.541% *  0.0365% (0.41   1.0  1.00   0.02   0.11) =   0.001%
          HB3   ASP- 105 - HD2   ARG+  54  21.31 +/- 3.38   0.417% *  0.0885% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  18.50 +/- 3.19   0.425% *  0.0741% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  20.71 +/- 3.67   0.376% *  0.0819% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  26.09 +/- 3.63   0.171% *  0.0856% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  25.65 +/- 3.95   0.155% *  0.0885% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  18.52 +/- 2.69   0.358% *  0.0333% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  24.58 +/- 3.73   0.229% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  24.77 +/- 3.65   0.151% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  30.59 +/- 5.16   0.091% *  0.0247% (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 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 = 0.994, support = 3.77, residual support = 20.5:
    * O T QB    PHE   55 - HA    PHE   55   2.42 +/- 0.13  75.574% * 87.4375% (1.00  10.0 10.00   3.78  21.00) =  97.266%  kept
          HD2   ARG+  54 - HA    PHE   55   5.39 +/- 1.24  15.508% * 11.9367% (0.80   1.0  1.00   3.41   4.27) =   2.725%  kept
          HB3   CYS   53 - HA    PHE   55   7.96 +/- 0.32   2.193% *  0.0758% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PHE   55   8.43 +/- 1.16   2.104% *  0.0784% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HA    PHE   55  12.03 +/- 4.11   1.574% *  0.0857% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QB    PHE   55 - HA    VAL   42  16.22 +/- 1.95   0.313% *  0.2058% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    PHE   55  19.40 +/- 3.67   0.231% *  0.0867% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.50 +/- 2.58   0.876% *  0.0204% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.83 +/- 2.48   0.691% *  0.0185% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.67 +/- 1.77   0.380% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.76 +/- 2.05   0.348% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  20.35 +/- 3.38   0.209% *  0.0165% (0.19   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 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.78, residual support = 21.0:
    * O T HA    PHE   55 - QB    PHE   55   2.42 +/- 0.13  92.988% * 98.8943% (1.00  10.0 10.00   3.78  21.00) =  99.967%  kept
          HA    ALA  110 - QB    PHE   55  10.63 +/- 4.48   6.155% *  0.4522% (0.87   1.0  1.00   0.11   0.10) =   0.030%
        T HA    VAL   42 - QB    PHE   55  16.22 +/- 1.95   0.390% *  0.5599% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    PHE   55  15.92 +/- 3.16   0.468% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 557 (3.33, 3.33, 38.95 ppm):
    1 diagonal assignment:
    *     QB    PHE   55 - QB    PHE   55  (1.00)  kept
 
    Peak 558 (4.38, 4.38, 60.23 ppm):
    1 diagonal assignment:
    *     HA    ILE   56 - HA    ILE   56  (1.00)  kept
 
    Peak 559 (1.88, 4.38, 60.23 ppm):
    13 chemical-shift based assignments, quality = 0.992, support = 4.32, residual support = 123.0:
    * O T HB    ILE   56 - HA    ILE   56   2.52 +/- 0.20  86.540% * 82.4636% (1.00  10.0 10.00   4.38 125.03) =  98.401%  kept
        T HB3   PRO   58 - HA    ILE   56   6.31 +/- 0.84   6.813% * 16.9784% (0.49   1.0 10.00   0.85   0.02) =   1.595%  kept
          HG2   ARG+  54 - HA    ILE   56   7.72 +/- 0.74   3.359% *  0.0339% (0.41   1.0  1.00   0.02   0.11) =   0.002%
          HB2   MET   92 - HA    ILE   56  14.04 +/- 3.67   0.854% *  0.0566% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ILE   56  14.28 +/- 2.32   0.599% *  0.0630% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ILE   56  15.53 +/- 3.06   0.506% *  0.0370% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  21.10 +/- 3.20   0.227% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  19.99 +/- 2.37   0.206% *  0.0599% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  19.61 +/- 2.80   0.229% *  0.0533% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.21 +/- 2.63   0.258% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  22.80 +/- 3.15   0.153% *  0.0467% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.61 +/- 3.28   0.085% *  0.0796% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  21.01 +/- 2.48   0.172% *  0.0309% (0.38   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 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 125.0:
    * O   QG2   ILE   56 - HA    ILE   56   2.63 +/- 0.41  95.109% * 98.4757% (1.00  10.0  1.00   4.74 125.03) =  99.996%  kept
        T HG3   LYS+  38 - HA    ILE   56  27.54 +/- 3.45   0.127% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   56  13.24 +/- 2.30   1.227% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    ILE   56  23.07 +/- 2.75   0.214% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    ILE   56  18.84 +/- 2.11   0.360% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  18.93 +/- 4.36   0.475% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.11 +/- 2.62   0.351% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  15.55 +/- 3.40   0.935% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  19.95 +/- 3.15   0.467% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.47 +/- 3.00   0.735% *  0.0172% (0.18   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 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 125.0:
    * O T QG1   ILE   56 - HA    ILE   56   3.12 +/- 0.45  93.722% * 97.9351% (1.00  10.0 10.00   3.88 125.03) =  99.987%  kept
        T QD    LYS+ 106 - HA    ILE   56  15.62 +/- 2.22   1.050% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LYS+  99 - HA    ILE   56  21.77 +/- 2.58   0.342% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - HA    ILE   56  20.07 +/- 2.67   0.482% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   92 - HA    ILE   56  12.73 +/- 3.74   2.626% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - HA    ILE   56  17.42 +/- 2.34   0.643% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  16.79 +/- 3.56   1.135% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.18 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.37, residual support = 124.8:
    * O T HA    ILE   56 - HB    ILE   56   2.52 +/- 0.20  90.593% * 96.5837% (1.00  10.0 10.00   4.38 125.03) =  99.847%  kept
        T HA    PRO   58 - HB    ILE   56   6.83 +/- 1.04   5.849% *  2.1315% (0.28   1.0 10.00   0.16   0.02) =   0.142%  kept
        T HA    LEU  123 - HB    ILE   56  13.70 +/- 2.91   0.839% *  0.9467% (0.98   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASP- 113 - HB    ILE   56  10.21 +/- 2.07   1.984% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB    ILE   56  20.77 +/- 2.31   0.182% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  25.50 +/- 2.40   0.097% *  0.0964% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  19.52 +/- 2.72   0.235% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  23.53 +/- 2.48   0.130% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  27.33 +/- 3.69   0.093% *  0.0241% (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 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 125.0:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  97.382% * 98.4757% (1.00  10.0 10.00   5.52 125.03) =  99.998%  kept
          QB    ALA   91 - HB    ILE   56  12.16 +/- 2.53   0.789% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HB    ILE   56  26.55 +/- 3.23   0.058% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    ILE   56  21.98 +/- 2.66   0.099% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  17.99 +/- 1.88   0.181% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  18.51 +/- 3.75   0.246% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.25 +/- 2.47   0.189% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.20 +/- 3.00   0.346% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  14.81 +/- 2.98   0.480% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  19.71 +/- 2.94   0.232% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.6, residual support = 125.0:
    * O T QG1   ILE   56 - HB    ILE   56   2.25 +/- 0.12  96.402% * 98.7886% (1.00  10.0 10.00   4.60 125.03) =  99.995%  kept
        T QD    LYS+ 106 - HB    ILE   56  14.33 +/- 2.34   0.517% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HB    ILE   56  19.11 +/- 2.71   0.204% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HB    ILE   56  11.66 +/- 4.11   1.822% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  15.93 +/- 2.86   0.400% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  15.94 +/- 3.30   0.510% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  20.63 +/- 2.54   0.145% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 125.0:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  87.891% * 98.4311% (1.00  10.0 10.00   5.52 125.03) =  99.992%  kept
          HB3   PRO   58 - QG2   ILE   56   6.67 +/- 0.88   3.460% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - QG2   ILE   56   6.68 +/- 1.10   3.525% *  0.0405% (0.41   1.0  1.00   0.02   0.11) =   0.002%
          HB2   MET   92 - QG2   ILE   56  10.37 +/- 3.38   1.693% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QG2   ILE   56  21.80 +/- 2.86   0.100% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   ILE   56  10.95 +/- 2.20   1.186% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG2   ILE   56  12.39 +/- 2.63   0.559% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  14.84 +/- 2.78   0.368% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  15.51 +/- 2.24   0.302% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  17.14 +/- 2.62   0.216% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  15.81 +/- 2.59   0.309% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  18.60 +/- 2.82   0.165% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  16.57 +/- 2.31   0.226% *  0.0369% (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 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 = 4.85, residual support = 125.0:
    * O T QG1   ILE   56 - QG2   ILE   56   2.20 +/- 0.19  93.581% * 98.7886% (1.00  10.0 10.00   4.85 125.03) =  99.991%  kept
        T QD    LYS+ 106 - QG2   ILE   56  12.02 +/- 2.10   1.129% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  99 - QG2   ILE   56  16.42 +/- 2.43   0.289% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QG2   ILE   56   9.33 +/- 3.45   3.256% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QG2   ILE   56  13.09 +/- 2.58   0.664% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  13.51 +/- 3.08   0.870% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  17.66 +/- 2.45   0.212% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.86, residual support = 124.4:
    * O T HA    ILE   56 - QG1   ILE   56   3.12 +/- 0.45  74.660% * 95.8742% (1.00  10.0 10.00   3.88 125.03) =  99.459%  kept
          HA    PRO   58 - QG1   ILE   56   6.09 +/- 0.86  14.653% *  2.3218% (0.28   1.0  1.00   1.74   0.02) =   0.473%  kept
        T HA    ASP- 113 - QG1   ILE   56   9.05 +/- 2.32   6.815% *  0.6202% (0.65   1.0 10.00   0.02   0.02) =   0.059%
        T HA    LYS+  99 - QG1   ILE   56  17.64 +/- 2.07   0.538% *  0.9069% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HA    LEU  123 - QG1   ILE   56  12.42 +/- 1.73   1.765% *  0.0940% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - QG1   ILE   56  16.62 +/- 2.45   0.695% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  21.86 +/- 2.44   0.274% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  20.25 +/- 2.06   0.358% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  23.69 +/- 2.92   0.243% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.59, residual support = 124.7:
    * O T HB    ILE   56 - QG1   ILE   56   2.25 +/- 0.12  87.868% * 93.5166% (1.00  10.0 10.00   4.60 125.03) =  99.712%  kept
          HB3   PRO   58 - QG1   ILE   56   6.68 +/- 0.84   4.332% *  5.2074% (0.49   1.0  1.00   2.29   0.02) =   0.274%  kept
        T QB    LYS+ 106 - QG1   ILE   56  10.97 +/- 2.17   1.138% *  0.7147% (0.76   1.0 10.00   0.02   0.02) =   0.010%
          HG2   ARG+  54 - QG1   ILE   56   7.74 +/- 1.20   2.687% *  0.0384% (0.41   1.0  1.00   0.02   0.11) =   0.001%
          HB2   MET   92 - QG1   ILE   56  10.99 +/- 3.15   1.345% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG1   ILE   56  12.15 +/- 2.42   0.751% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  17.07 +/- 2.57   0.291% *  0.0781% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  15.59 +/- 2.67   0.371% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  16.30 +/- 2.00   0.304% *  0.0679% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  15.89 +/- 2.14   0.339% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  18.83 +/- 2.70   0.194% *  0.0529% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.10 +/- 2.77   0.110% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.71 +/- 2.08   0.270% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 125.0:
    * O T QG2   ILE   56 - QG1   ILE   56   2.20 +/- 0.19  94.934% * 98.4757% (1.00  10.0 10.00   4.85 125.03) =  99.996%  kept
          QB    ALA   91 - QG1   ILE   56  10.38 +/- 2.18   1.470% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QG1   ILE   56  22.90 +/- 2.94   0.102% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QG1   ILE   56  18.83 +/- 2.34   0.175% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  15.31 +/- 1.88   0.397% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  15.83 +/- 3.11   0.460% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.65 +/- 2.30   0.406% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.29 +/- 2.74   0.721% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  12.30 +/- 2.51   0.999% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.87 +/- 2.35   0.335% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (1.72, 1.72, 31.79 ppm):
    1 diagonal assignment:
    *     QG1   ILE   56 - QG1   ILE   56  (1.00)  kept
 
    Peak 583 (4.41, 3.81, 50.93 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 6.52, residual support = 143.2:
    * O T HA    PRO   58 - HD2   PRO   58   3.86 +/- 0.09  36.067% * 97.3860% (0.95  10.0 10.00   6.69 148.05) =  96.698%  kept
          HA    ILE   56 - HD2   PRO   58   3.20 +/- 0.67  57.271% *  2.0883% (0.26   1.0  1.00   1.54   0.02) =   3.293%  kept
          HA    THR   46 - HD2   PRO   58  11.90 +/- 2.51   1.870% *  0.0591% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HD2   PRO   58  13.47 +/- 3.09   2.955% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - HD2   PRO   58  20.19 +/- 3.45   0.389% *  0.0940% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD2   PRO   58  23.12 +/- 2.94   0.293% *  0.0972% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   58  19.36 +/- 2.99   0.419% *  0.0512% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HD2   PRO   58  26.61 +/- 4.36   0.166% *  0.0972% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  27.11 +/- 3.22   0.124% *  0.0512% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  21.82 +/- 2.97   0.298% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  25.87 +/- 3.32   0.150% *  0.0243% (0.24   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 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.93, residual support = 148.0:
    * O T HB2   PRO   58 - HD2   PRO   58   3.97 +/- 0.19  81.248% * 99.3830% (0.95  10.0 10.00   6.93 148.05) =  99.988%  kept
          HB2   GLN  116 - HD2   PRO   58   9.99 +/- 2.42  10.911% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.008%
        T HB2   GLU- 100 - HD2   PRO   58  26.06 +/- 2.97   0.341% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HD2   PRO   58  16.48 +/- 3.24   1.962% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   52 - HD2   PRO   58  10.97 +/- 1.30   4.897% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   58  26.38 +/- 5.48   0.641% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.84, residual support = 142.1:
    * O T HB3   PRO   58 - HD2   PRO   58   3.79 +/- 0.26  49.185% * 92.4807% (0.79  10.0 10.00   7.08 148.05) =  95.945%  kept
          HB    ILE   56 - HD2   PRO   58   4.35 +/- 1.33  37.843% *  5.0532% (0.79   1.0  1.00   1.09   0.02) =   4.034%  kept
        T HB3   GLN   30 - HD2   PRO   58  20.44 +/- 3.45   0.395% *  1.1072% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   LYS+  38 - HD2   PRO   58  25.99 +/- 3.99   0.191% *  1.0474% (0.89   1.0 10.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HD2   PRO   58   8.37 +/- 1.78   7.810% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HB2   MET   92 - HD2   PRO   58  15.41 +/- 3.28   1.213% *  0.1069% (0.91   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HD2   PRO   58  14.96 +/- 2.29   0.940% *  0.0455% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD2   PRO   58  15.83 +/- 4.03   1.215% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  20.34 +/- 2.52   0.406% *  0.0416% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  20.65 +/- 2.51   0.360% *  0.0342% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  22.18 +/- 3.46   0.296% *  0.0276% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  32.52 +/- 5.43   0.145% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.08 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.6, residual support = 148.0:
    * O T HG2   PRO   58 - HD2   PRO   58   2.69 +/- 0.29  94.259% * 98.7160% (0.95  10.0 10.00   6.60 148.05) =  99.983%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.84 +/- 1.49   1.485% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.016%
          HB2   PRO   93 - HD2   PRO   58  10.86 +/- 3.00   2.717% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HD2   PRO   58  24.84 +/- 3.89   0.177% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.70 +/- 2.05   0.310% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  21.19 +/- 4.84   0.751% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  32.00 +/- 5.11   0.099% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  23.17 +/- 3.39   0.200% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.28, residual support = 147.9:
    * O T HB2   PRO   58 - HA    PRO   58   2.67 +/- 0.15  93.714% * 97.5002% (1.00  10.0 10.00   6.28 148.05) =  99.919%  kept
        T HB2   GLN  116 - HA    PRO   58  11.65 +/- 2.40   3.103% *  2.3432% (0.57   1.0 10.00   0.08   0.02) =   0.080%
          HB3   PHE   97 - HA    PRO   58  15.41 +/- 3.97   1.623% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    PRO   58  13.51 +/- 1.90   1.136% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  24.23 +/- 3.90   0.185% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  24.59 +/- 5.61   0.239% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.22, residual support = 148.0:
    * O T HB3   PRO   58 - HA    PRO   58   2.37 +/- 0.15  89.766% * 98.4544% (0.84  10.0 10.00   6.22 148.05) =  99.940%  kept
        T HB    ILE   56 - HA    PRO   58   6.83 +/- 1.04   5.167% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.058%
          HB3   GLN   30 - HA    PRO   58  18.10 +/- 3.74   0.427% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    PRO   58  16.96 +/- 3.04   0.347% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  15.06 +/- 4.52   1.802% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  14.99 +/- 2.45   0.519% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    PRO   58  11.04 +/- 1.50   1.156% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  23.30 +/- 4.39   0.155% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  20.53 +/- 2.74   0.172% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  19.91 +/- 3.61   0.254% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.73 +/- 2.54   0.139% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  29.79 +/- 5.43   0.097% *  0.0206% (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 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 148.0:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.02  85.204% * 98.7160% (1.00  10.0 10.00   5.98 148.05) =  99.965%  kept
        T HG3   PRO   52 - HA    PRO   58  14.45 +/- 2.17   2.524% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.030%
          HB2   PRO   93 - HA    PRO   58  12.13 +/- 3.10   6.626% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    PRO   58  22.02 +/- 4.17   0.858% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   58  17.26 +/- 1.70   1.144% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    PRO   58  19.68 +/- 4.91   2.455% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  29.27 +/- 5.08   0.352% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  21.10 +/- 3.68   0.839% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.13 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.69, residual support = 148.0:
    * O T HD2   PRO   58 - HA    PRO   58   3.86 +/- 0.09  92.439% * 98.5403% (0.95  10.0 10.00   6.69 148.05) =  99.988%  kept
        T HA    GLU- 100 - HA    PRO   58  23.87 +/- 3.68   0.550% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LYS+  38 - HA    PRO   58  22.36 +/- 3.94   0.741% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HA    PRO   58  10.65 +/- 1.63   5.600% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HA    PRO   58  22.02 +/- 3.00   0.671% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.05 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 6.28, residual support = 148.0:
    * O T HA    PRO   58 - HB2   PRO   58   2.67 +/- 0.15  85.953% * 98.8234% (1.00  10.0 10.00   6.28 148.05) =  99.931%  kept
          HA    ILE   56 - HB2   PRO   58   6.07 +/- 0.82   8.618% *  0.6431% (0.28   1.0  1.00   0.47   0.02) =   0.065%
          HA    THR   46 - HB2   PRO   58  13.67 +/- 2.45   1.343% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   PRO   58  11.69 +/- 2.75   2.007% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   PRO   58  18.96 +/- 4.02   0.533% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB2   PRO   58  21.82 +/- 3.21   0.309% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  18.21 +/- 3.20   0.421% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  25.36 +/- 4.54   0.164% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  25.76 +/- 3.61   0.128% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  20.50 +/- 4.06   0.365% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  24.49 +/- 4.12   0.160% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.53, residual support = 148.0:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  95.295% * 98.9371% (0.84  10.0 10.00   4.53 148.05) =  99.996%  kept
          HB    ILE   56 - HB2   PRO   58   6.68 +/- 1.13   2.295% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HB2   PRO   58  21.16 +/- 2.57   0.068% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  14.68 +/- 5.29   1.129% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  17.04 +/- 3.06   0.153% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  14.66 +/- 3.24   0.324% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  19.45 +/- 3.86   0.123% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  11.67 +/- 1.36   0.378% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  24.54 +/- 4.43   0.060% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  21.07 +/- 3.91   0.089% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  21.93 +/- 2.82   0.061% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  31.38 +/- 5.44   0.026% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 148.0:
    * O T HG2   PRO   58 - HB2   PRO   58   2.43 +/- 0.25  93.607% * 98.7160% (1.00  10.0 10.00   4.29 148.05) =  99.993%  kept
        T HG3   PRO   52 - HB2   PRO   58  14.98 +/- 1.65   0.507% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.005%
          HB2   PRO   93 - HB2   PRO   58  12.32 +/- 3.29   4.732% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HB2   PRO   58  23.47 +/- 4.25   0.161% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  18.39 +/- 1.96   0.260% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  30.84 +/- 5.12   0.091% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  20.71 +/- 5.07   0.431% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  22.15 +/- 3.97   0.211% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.93, residual support = 148.0:
    * O T HD2   PRO   58 - HB2   PRO   58   3.97 +/- 0.19  93.410% * 98.5403% (0.95  10.0 10.00   6.93 148.05) =  99.989%  kept
        T HA    GLU- 100 - HB2   PRO   58  24.44 +/- 3.91   0.566% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LYS+  38 - HB2   PRO   58  23.60 +/- 4.10   0.672% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HB2   PRO   58  11.41 +/- 1.30   4.657% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   PRO   58  22.63 +/- 3.22   0.695% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.831, support = 6.18, residual support = 146.9:
    * O T HA    PRO   58 - HB3   PRO   58   2.37 +/- 0.15  89.687% * 89.0469% (0.84  10.0 10.00   6.22 148.05) =  99.210%  kept
        T HA    ILE   56 - HB3   PRO   58   6.31 +/- 0.84   6.051% * 10.4724% (0.23   1.0 10.00   0.85   0.02) =   0.787%  kept
          HA    THR   46 - HB3   PRO   58  14.08 +/- 2.99   1.449% *  0.0540% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   PRO   58  12.10 +/- 3.07   1.469% *  0.0334% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   PRO   58  19.35 +/- 4.03   0.310% *  0.0859% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  22.03 +/- 3.55   0.218% *  0.0888% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  18.48 +/- 3.53   0.283% *  0.0468% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  25.40 +/- 4.96   0.121% *  0.0888% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  25.91 +/- 3.82   0.090% *  0.0468% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  21.12 +/- 4.09   0.215% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  24.75 +/- 4.19   0.106% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.53, residual support = 148.0:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  95.160% * 99.1367% (0.84  10.0 10.00   4.53 148.05) =  99.994%  kept
        T HB3   PHE   97 - HB3   PRO   58  16.13 +/- 4.40   0.446% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN  116 - HB3   PRO   58  10.77 +/- 3.08   4.027% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   52 - HB3   PRO   58  14.09 +/- 1.74   0.244% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  25.96 +/- 6.06   0.076% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  25.31 +/- 4.28   0.047% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.23, residual support = 148.0:
    * O T HG2   PRO   58 - HB3   PRO   58   2.83 +/- 0.26  93.291% * 97.0168% (0.84  10.0 10.00   4.23 148.05) =  99.985%  kept
        T HG3   PRO   52 - HB3   PRO   58  15.00 +/- 1.94   0.832% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   GLU-  14 - HB3   PRO   58  23.65 +/- 4.59   0.330% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PRO   93 - HB3   PRO   58  12.83 +/- 3.42   3.626% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HB3   PRO   58  30.81 +/- 5.43   0.112% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HB3   PRO   58  21.07 +/- 5.21   1.157% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  18.69 +/- 2.06   0.371% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  22.38 +/- 4.09   0.280% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.39 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.08, residual support = 148.0:
    * O T HD2   PRO   58 - HB3   PRO   58   3.79 +/- 0.26  93.610% * 98.5403% (0.79  10.0 10.00   7.08 148.05) =  99.990%  kept
        T HA    GLU- 100 - HB3   PRO   58  25.04 +/- 3.96   0.510% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LYS+  38 - HB3   PRO   58  23.86 +/- 4.29   0.645% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HB3   PRO   58  11.47 +/- 1.64   4.638% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB3   PRO   58  23.23 +/- 3.25   0.597% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.996, support = 5.95, residual support = 147.3:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.02  39.669% * 97.8010% (1.00  10.0 10.00   5.98 148.05) =  99.519%  kept
          HA    ILE   56 - HG2   PRO   58   4.17 +/- 0.96  39.315% *  0.4298% (0.28   1.0  1.00   0.32   0.02) =   0.433%  kept
        T HA    PRO   58 - HG3   PRO   52  14.45 +/- 2.17   1.255% *  0.7918% (0.81   1.0 10.00   0.02   0.02) =   0.025%
          HA    THR   46 - HG3   PRO   52   9.08 +/- 2.24   5.659% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.007%
          HA    LEU  123 - HG2   PRO   58  12.03 +/- 2.89   3.924% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          HA    THR   46 - HG2   PRO   58  12.95 +/- 2.27   2.168% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HA    ILE   56 - HG3   PRO   52  10.22 +/- 1.48   3.184% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HG3   PRO   52  24.08 +/- 4.34   0.689% *  0.0764% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   PRO   58  19.96 +/- 3.58   0.553% *  0.0944% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   PRO   58  23.29 +/- 2.98   0.348% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG2   PRO   58  19.64 +/- 2.82   0.430% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG2   PRO   58  26.86 +/- 4.41   0.198% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  28.38 +/- 4.98   0.174% *  0.0790% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  24.72 +/- 5.12   0.259% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  22.59 +/- 3.47   0.309% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  31.73 +/- 5.55   0.112% *  0.0790% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  26.96 +/- 3.24   0.161% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  25.22 +/- 4.31   0.675% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  21.23 +/- 3.52   0.432% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  31.29 +/- 4.56   0.130% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  25.63 +/- 3.61   0.196% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  29.87 +/- 4.47   0.160% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.792, support = 4.69, residual support = 165.8:
    * O T HB2   PRO   58 - HG2   PRO   58   2.43 +/- 0.25  27.771% * 87.8577% (1.00  10.0 10.00   4.29 148.05) =  76.237%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  69.273% * 10.9746% (0.12  10.0 10.00   5.97 222.99) =  23.755%  kept
        T HB2   PRO   58 - HG3   PRO   52  14.98 +/- 1.65   0.133% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN  116 - HG2   PRO   58   8.90 +/- 2.37   1.780% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   PRO   52 - HG2   PRO   58  12.42 +/- 1.28   0.232% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HG2   PRO   58  15.62 +/- 3.98   0.245% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  19.86 +/- 3.69   0.201% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  14.86 +/- 3.35   0.217% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  29.18 +/- 4.51   0.041% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  25.44 +/- 3.64   0.029% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  26.55 +/- 5.70   0.045% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.61 +/- 6.15   0.035% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.22, residual support = 147.7:
    * O T HB3   PRO   58 - HG2   PRO   58   2.83 +/- 0.26  59.755% * 96.3496% (0.84  10.0 10.00   4.23 148.05) =  99.730%  kept
          HB    ILE   56 - HG2   PRO   58   4.99 +/- 1.30  17.752% *  0.7648% (0.84   1.0  1.00   0.16   0.02) =   0.235%  kept
          HB2   MET   92 - HG3   PRO   52  10.19 +/- 5.24   9.103% *  0.0901% (0.78   1.0  1.00   0.02   0.02) =   0.014%
        T HB3   PRO   58 - HG3   PRO   52  15.00 +/- 1.94   0.522% *  0.7800% (0.68   1.0 10.00   0.02   0.02) =   0.007%
          HB    ILE   56 - HG3   PRO   52  10.11 +/- 1.65   2.513% *  0.0780% (0.68   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HG3   PRO   52  16.76 +/- 4.68   0.510% *  0.3505% (0.30   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HG2   PRO   58  20.93 +/- 2.18   0.177% *  0.4329% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG2   PRO   58  15.97 +/- 3.20   0.465% *  0.1113% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HG2   PRO   58  14.29 +/- 2.97   0.780% *  0.0474% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.93 +/- 1.08   2.551% *  0.0144% (0.12   1.0  1.00   0.02   1.92) =   0.001%
          HB3   ASP- 105 - HG2   PRO   58  14.74 +/- 4.83   1.539% *  0.0202% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   PRO   58  20.51 +/- 3.57   0.257% *  0.1154% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.34 +/- 1.33   1.544% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  15.69 +/- 4.29   0.608% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  15.84 +/- 2.19   0.421% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  24.15 +/- 4.60   0.157% *  0.0934% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  25.73 +/- 4.01   0.129% *  0.1091% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  32.88 +/- 5.41   0.053% *  0.2020% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.70 +/- 3.89   0.584% *  0.0164% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  37.34 +/- 7.05   0.046% *  0.1635% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.02 +/- 2.72   0.176% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  30.24 +/- 4.48   0.065% *  0.0883% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  22.09 +/- 3.73   0.187% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  25.74 +/- 4.09   0.107% *  0.0233% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.31 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.942, support = 6.59, residual support = 147.6:
    * O T HD2   PRO   58 - HG2   PRO   58   2.69 +/- 0.29  88.091% * 92.8744% (0.95  10.0 10.00   6.60 148.05) =  99.469%  kept
          HB2   CYS   53 - HG3   PRO   52   6.57 +/- 0.55   7.145% *  5.9406% (0.28   1.0  1.00   4.38  55.41) =   0.516%  kept
        T HD2   PRO   58 - HG3   PRO   52  11.84 +/- 1.49   1.386% *  0.7519% (0.77   1.0 10.00   0.02   0.02) =   0.013%
          HB2   CYS   53 - HG2   PRO   58  10.13 +/- 1.16   2.300% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG3   PRO   52  20.39 +/- 3.20   0.282% *  0.0779% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  22.61 +/- 2.97   0.196% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  28.77 +/- 4.29   0.185% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  25.22 +/- 3.38   0.137% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  24.75 +/- 3.65   0.146% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  29.07 +/- 4.41   0.133% *  0.0221% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 57.8:
    * O T HB2   PHE   59 - HA    PHE   59   2.83 +/- 0.22  90.889% * 99.6348% (1.00  10.0 10.00   3.25  57.80) =  99.993%  kept
          QB    PHE   55 - HA    PHE   59   9.37 +/- 0.81   2.843% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - HA    PHE   59  10.63 +/- 1.79   2.407% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    PHE   59  13.17 +/- 2.23   1.319% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    PHE   59  13.38 +/- 2.53   1.306% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  13.13 +/- 1.69   1.236% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 57.8:
    * O T HB3   PHE   59 - HA    PHE   59   2.85 +/- 0.19  99.521% * 99.9552% (1.00  10.0 10.00   3.94  57.80) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  18.09 +/- 2.05   0.479% *  0.0448% (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 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 57.8:
    * O T HA    PHE   59 - HB2   PHE   59   2.83 +/- 0.22  96.685% * 99.8386% (1.00  10.0 10.00   3.25  57.80) =  99.998%  kept
          HA    ASP- 113 - HB2   PHE   59  10.64 +/- 1.64   2.197% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - HB2   PHE   59  18.85 +/- 2.86   0.425% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.67 +/- 3.10   0.481% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  23.39 +/- 2.85   0.212% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 57.8:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00  99.850% * 99.9552% (1.00  10.0 10.00   3.44  57.80) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  16.46 +/- 2.17   0.150% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 57.8:
    * O T HA    PHE   59 - HB3   PHE   59   2.85 +/- 0.19  96.226% * 99.8386% (1.00  10.0 10.00   3.94  57.80) =  99.998%  kept
          HA    ASP- 113 - HB3   PHE   59  10.54 +/- 1.51   2.652% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   87 - HB3   PHE   59  18.70 +/- 2.64   0.438% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.64 +/- 2.70   0.476% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  23.44 +/- 2.89   0.208% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 57.8:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  95.680% * 99.6348% (1.00  10.0 10.00   3.44  57.80) =  99.997%  kept
          QB    PHE   55 - HB3   PHE   59   7.51 +/- 1.02   1.441% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HB3   PHE   59   8.69 +/- 1.95   1.723% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HB3   PHE   59  11.61 +/- 2.75   0.534% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.45 +/- 1.55   0.417% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  14.27 +/- 1.69   0.205% *  0.0832% (0.84   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 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.7:
    * O T HB2   PHE   60 - HA    PHE   60   2.81 +/- 0.24  99.420% * 99.9010% (1.00  10.0 10.00   4.00  72.74) =  99.999%  kept
          HB2   TRP   87 - HA    PHE   60  16.14 +/- 1.47   0.580% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.7:
    * O T HB3   PHE   60 - HA    PHE   60   2.58 +/- 0.29  95.677% * 99.7797% (1.00  10.0 10.00   4.00  72.74) =  99.997%  kept
          HB3   TRP   27 - HA    PHE   60  13.98 +/- 3.50   1.974% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    PHE   60  14.48 +/- 1.95   0.798% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    PHE   60  12.64 +/- 2.53   1.366% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    PHE   60  21.97 +/- 2.41   0.186% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.7:
    * O T HA    PHE   60 - HB2   PHE   60   2.81 +/- 0.24  88.808% * 99.8400% (1.00  10.0 10.00   4.00  72.74) =  99.997%  kept
          QB    SER   48 - HB2   PHE   60  12.79 +/- 3.51   6.254% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   PHE   60  13.19 +/- 1.30   1.034% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   60  12.47 +/- 1.88   1.273% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   PHE   60  11.39 +/- 2.49   1.944% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.21 +/- 1.62   0.688% *  0.0278% (0.28   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 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.7:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  98.646% * 99.7797% (1.00  10.0 10.00   4.00  72.74) =  99.999%  kept
          HB3   TRP   27 - HB2   PHE   60  14.27 +/- 3.51   0.731% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.67 +/- 2.90   0.381% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   PHE   60  15.17 +/- 2.04   0.185% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  22.45 +/- 3.11   0.057% *  0.0249% (0.25   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 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.7:
    * O T HA    PHE   60 - HB3   PHE   60   2.58 +/- 0.29  90.885% * 99.8400% (1.00  10.0 10.00   4.00  72.74) =  99.998%  kept
          QB    SER   48 - HB3   PHE   60  12.69 +/- 3.53   4.886% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB3   PHE   60  13.50 +/- 1.57   0.741% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  12.44 +/- 2.07   1.194% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   PHE   60  11.39 +/- 2.57   1.783% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.61 +/- 1.83   0.511% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.7:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00  99.872% * 99.9010% (1.00  10.0 10.00   4.00  72.74) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  16.81 +/- 1.74   0.128% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.01  82.209% * 98.4786% (1.00  10.0 10.00   2.21  17.93) =  99.985%  kept
        T QB    ALA  110 - HA    ALA   61  14.92 +/- 2.64   0.337% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   73 - HA    ALA   61   9.55 +/- 2.64   4.556% *  0.0637% (0.65   1.0  1.00   0.02   0.17) =   0.004%
          HB3   LEU   67 - HA    ALA   61   8.02 +/- 0.94   1.760% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    ALA   61   7.97 +/- 1.01   1.874% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    ALA   61   9.29 +/- 2.97   4.489% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - HA    ALA   61  11.89 +/- 2.86   0.771% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    ALA   61  11.13 +/- 3.31   2.579% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    ALA   61  17.36 +/- 3.83   0.259% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  16.46 +/- 3.29   0.271% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  12.12 +/- 1.39   0.510% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  15.35 +/- 2.32   0.299% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  22.37 +/- 2.92   0.086% *  0.0518% (0.53   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 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  87.752% * 98.9510% (1.00  10.0 10.00   2.21  17.93) =  99.992%  kept
        T HA    ALA   61 - QB    ALA  110  14.92 +/- 2.64   0.360% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.003%
          HD3   PRO   58 - QB    ALA   61   6.39 +/- 1.10   4.349% *  0.0444% (0.45   1.0  1.00   0.02   0.86) =   0.002%
          HD2   PRO   68 - QB    ALA   61  10.38 +/- 0.90   0.844% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QB    ALA   61   9.02 +/- 2.60   3.368% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA  110  11.56 +/- 3.32   1.409% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QB    ALA  110  19.54 +/- 4.52   0.440% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  13.00 +/- 3.15   1.068% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  15.96 +/- 2.69   0.299% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  20.88 +/- 2.95   0.110% *  0.0163% (0.16   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 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   2.72 +/- 0.20  99.388% * 99.9434% (1.00  10.0 10.00   3.00  41.00) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  15.94 +/- 2.38   0.612% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.81 +/- 0.29  97.804% * 99.7306% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
          HG3   MET   96 - HA    ASP-  62  15.22 +/- 2.70   0.882% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    ASP-  62  21.38 +/- 4.66   0.722% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  20.95 +/- 3.19   0.336% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  23.75 +/- 3.68   0.256% *  0.0658% (0.65   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 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   2.72 +/- 0.20  97.757% * 99.8236% (1.00  10.0 10.00   3.00  41.00) =  99.998%  kept
          HB    THR   26 - HB2   ASP-  62  18.51 +/- 4.97   0.974% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER  117 - HB2   ASP-  62  13.26 +/- 1.36   1.011% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB2   ASP-  62  23.27 +/- 3.23   0.257% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00  99.412% * 99.7306% (0.98  10.0 10.00   3.00  41.00) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  14.95 +/- 3.12   0.311% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  21.06 +/- 3.56   0.124% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  22.57 +/- 4.89   0.108% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  24.97 +/- 3.57   0.045% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 636 (4.22, 2.45, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB3   ASP-  62   2.81 +/- 0.29  97.534% * 99.8236% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
          HB    THR   26 - HB3   ASP-  62  18.36 +/- 4.76   0.955% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER  117 - HB3   ASP-  62  13.30 +/- 1.65   1.251% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB3   ASP-  62  22.75 +/- 3.35   0.260% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00  99.729% * 99.4370% (0.98  10.0 10.00   3.00  41.00) =  99.998%  kept
        T HB2   PRO   52 - HB3   ASP-  62  14.53 +/- 2.85   0.271% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (2.45, 2.45, 41.28 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  62 - HB3   ASP-  62  (0.96)  kept
 
    Peak 639 (3.50, 3.50, 57.67 ppm):
    1 diagonal assignment:
    *     HA    LEU   63 - HA    LEU   63  (1.00)  kept
 
    Peak 640 (1.34, 3.50, 57.67 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 239.6:
    * O T HB2   LEU   63 - HA    LEU   63   2.85 +/- 0.20  83.622% * 99.1997% (1.00  10.0 10.00   6.28 239.63) =  99.985%  kept
          HB3   ASP-  44 - HA    LEU   63   8.41 +/- 2.44   6.187% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.007%
          HB3   PRO   93 - HA    LEU   63  12.27 +/- 2.69   2.497% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    LEU   63  14.89 +/- 3.43   1.181% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   63  14.96 +/- 3.07   1.149% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    LEU   63  18.93 +/- 3.73   1.037% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LEU   63  17.42 +/- 3.43   0.691% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    LEU   63  16.97 +/- 4.03   0.859% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   63  17.88 +/- 2.76   0.452% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   63  15.56 +/- 1.58   0.583% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  19.50 +/- 2.93   0.378% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  15.12 +/- 3.25   0.969% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  17.70 +/- 2.02   0.394% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 239.6:
    * O T HB3   LEU   63 - HA    LEU   63   2.50 +/- 0.23  75.666% * 99.7424% (1.00  10.0 10.00   5.98 239.63) =  99.985%  kept
          QG1   VAL   70 - HA    LEU   63   6.37 +/- 1.25   7.630% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU  123 - HA    LEU   63   9.73 +/- 3.10  12.495% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   18 - HA    LEU   63   9.40 +/- 2.64   2.828% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HA    LEU   63  11.57 +/- 1.26   0.938% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  15.68 +/- 2.39   0.444% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 238.7:
    * O T HG    LEU   63 - HA    LEU   63   3.23 +/- 0.65  76.753% * 98.1528% (1.00  10.0 10.00   5.98 239.63) =  99.605%  kept
          QG2   VAL   24 - HA    LEU   63  15.17 +/- 4.92  16.911% *  1.7570% (0.97   1.0  1.00   0.37   0.92) =   0.393%  kept
          HG3   LYS+ 112 - HA    LEU   63  14.32 +/- 3.06   1.750% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  107 - HA    LEU   63  10.66 +/- 2.65   4.586% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.12 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.804, support = 5.67, residual support = 239.5:
    *   T QD1   LEU   63 - HA    LEU   63   3.41 +/- 0.74  33.812% * 63.1462% (1.00 10.00   5.61 239.63) =  54.862%  kept
        T QD2   LEU   63 - HA    LEU   63   2.87 +/- 0.51  49.067% * 35.7505% (0.57 10.00   5.76 239.63) =  45.074%  kept
        T QD1   LEU   73 - HA    LEU   63  11.01 +/- 2.03   1.624% *  0.6315% (1.00 10.00   0.02   0.14) =   0.026%
        T QD1   LEU  104 - HA    LEU   63  12.22 +/- 3.26   2.257% *  0.3575% (0.57 10.00   0.02   0.02) =   0.021%
          QD2   LEU  115 - HA    LEU   63   8.83 +/- 2.28  11.829% *  0.0527% (0.84  1.00   0.02   0.02) =   0.016%
          QD2   LEU   80 - HA    LEU   63  15.70 +/- 2.15   0.437% *  0.0506% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU   63  15.05 +/- 2.53   0.973% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.09 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.878, support = 5.71, residual support = 239.6:
    *   T QD2   LEU   63 - HA    LEU   63   2.87 +/- 0.51  49.263% * 63.5438% (1.00 10.00   5.76 239.63) =  71.916%  kept
        T QD1   LEU   63 - HA    LEU   63   3.41 +/- 0.74  33.955% * 35.9756% (0.57 10.00   5.61 239.63) =  28.064%  kept
        T QD1   LEU   73 - HA    LEU   63  11.01 +/- 2.03   1.632% *  0.3598% (0.57 10.00   0.02   0.14) =   0.013%
          QD2   LEU  115 - HA    LEU   63   8.83 +/- 2.28  11.871% *  0.0158% (0.25  1.00   0.02   0.02) =   0.004%
          QG2   VAL   41 - HA    LEU   63  11.65 +/- 1.61   1.188% *  0.0385% (0.61  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    LEU   63  12.54 +/- 2.76   1.204% *  0.0261% (0.41  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HA    LEU   63  15.98 +/- 2.62   0.447% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  15.70 +/- 2.15   0.441% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.09 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 239.6:
    * O T HA    LEU   63 - HB2   LEU   63   2.85 +/- 0.20  96.953% * 99.2046% (1.00  10.0 10.00   6.28 239.63) =  99.979%  kept
        T HB2   HIS   22 - HB2   LEU   63  17.45 +/- 4.86   2.703% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.021%
          HA2   GLY  101 - HB2   LEU   63  20.53 +/- 2.99   0.344% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 239.6:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  93.505% * 99.7424% (1.00  10.0 10.00   6.31 239.63) =  99.996%  kept
          QG1   VAL   70 - HB2   LEU   63   6.51 +/- 1.37   3.205% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HB2   LEU   63   9.04 +/- 2.55   1.363% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   63   9.91 +/- 2.26   1.344% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  11.41 +/- 1.44   0.402% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  15.04 +/- 2.22   0.181% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 6.31, residual support = 239.4:
    * O T HG    LEU   63 - HB2   LEU   63   2.58 +/- 0.27  90.971% * 98.0109% (1.00  10.0 10.00   6.31 239.63) =  99.912%  kept
          QG2   VAL   24 - HB2   LEU   63  14.65 +/- 4.41   4.013% *  1.8991% (0.97   1.0  1.00   0.40   0.92) =   0.085%
          HG3   LYS+ 112 - HB2   LEU   63  13.40 +/- 3.18   2.235% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  107 - HB2   LEU   63  10.19 +/- 2.21   2.780% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.872, support = 6.14, residual support = 238.5:
    * O T QD1   LEU   63 - HB2   LEU   63   2.51 +/- 0.34  50.282% * 57.4440% (1.00  10.0 10.00   6.14 239.63) =  69.994%  kept
      O T QD2   LEU   63 - HB2   LEU   63   2.87 +/- 0.40  37.456% * 32.5222% (0.57  10.0 10.00   6.25 239.63) =  29.519%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.15 +/- 2.54   2.022% *  9.6045% (1.00   1.0 10.00   0.33   0.14) =   0.471%  kept
          QD2   LEU  115 - HB2   LEU   63   8.29 +/- 2.06   8.924% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.010%
        T QD1   LEU  104 - HB2   LEU   63  12.37 +/- 2.63   0.645% *  0.3252% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   80 - HB2   LEU   63  15.13 +/- 2.88   0.299% *  0.0460% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  14.46 +/- 2.94   0.371% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.812, support = 6.18, residual support = 238.9:
    * O T QD2   LEU   63 - HB2   LEU   63   2.87 +/- 0.40  37.125% * 60.1426% (1.00  10.0 10.00   6.25 239.63) =  56.650%  kept
      O T QD1   LEU   63 - HB2   LEU   63   2.51 +/- 0.34  49.838% * 34.0500% (0.57  10.0 10.00   6.14 239.63) =  43.055%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.15 +/- 2.54   2.004% *  5.6931% (0.57   1.0 10.00   0.33   0.14) =   0.290%  kept
          QD2   LEU  115 - HB2   LEU   63   8.29 +/- 2.06   8.846% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   41 - HB2   LEU   63  11.19 +/- 1.71   0.737% *  0.0365% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   LEU   63  12.29 +/- 2.94   0.796% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  15.37 +/- 3.40   0.357% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.13 +/- 2.88   0.297% *  0.0134% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 239.6:
    * O T HA    LEU   63 - HB3   LEU   63   2.50 +/- 0.23  98.234% * 99.8862% (1.00  10.0 10.00   5.98 239.63) =  99.999%  kept
          HB2   HIS   22 - HB3   LEU   63  17.87 +/- 4.89   1.485% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HB3   LEU   63  20.22 +/- 3.72   0.281% *  0.0375% (0.38   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 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 239.6:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  92.168% * 99.1997% (1.00  10.0 10.00   6.31 239.63) =  99.993%  kept
          HB3   ASP-  44 - HB3   LEU   63   7.63 +/- 2.83   5.170% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - HB3   LEU   63  11.70 +/- 2.95   0.542% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  14.44 +/- 3.69   0.396% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  16.70 +/- 4.27   0.280% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  15.58 +/- 2.97   0.232% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  18.75 +/- 3.92   0.205% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  17.34 +/- 3.55   0.147% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  16.85 +/- 4.44   0.205% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  15.02 +/- 1.56   0.164% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  18.93 +/- 3.21   0.102% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  14.72 +/- 3.54   0.279% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  17.11 +/- 1.65   0.109% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 239.0:
    * O T HG    LEU   63 - HB3   LEU   63   2.83 +/- 0.20  82.390% * 98.0406% (1.00  10.0 10.00   6.00 239.63) =  99.735%  kept
          QG2   VAL   24 - HB3   LEU   63  14.77 +/- 4.97  11.370% *  1.8694% (0.97   1.0  1.00   0.40   0.92) =   0.262%  kept
          HG3   LYS+ 112 - HB3   LEU   63  14.21 +/- 3.68   2.276% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  107 - HB3   LEU   63  10.61 +/- 2.81   3.963% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.85, residual support = 238.2:
    * O T QD1   LEU   63 - HB3   LEU   63   2.53 +/- 0.41  41.844% * 52.5793% (1.00  10.0 10.00   5.85 239.63) =  61.847%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.47 +/- 0.43  44.893% * 29.7680% (0.57  10.0 10.00   5.95 239.63) =  37.567%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.54 +/- 2.53   1.168% * 17.2597% (1.00   1.0 10.00   0.66   0.14) =   0.567%  kept
          QD2   LEU  115 - HB3   LEU   63   8.97 +/- 2.50  10.900% *  0.0439% (0.84   1.0  1.00   0.02   0.02) =   0.013%
        T QD1   LEU  104 - HB3   LEU   63  12.19 +/- 2.98   0.694% *  0.2977% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   80 - HB3   LEU   63  15.31 +/- 3.01   0.228% *  0.0421% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  14.56 +/- 3.11   0.273% *  0.0092% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.849, support = 5.9, residual support = 238.9:
    * O T QD2   LEU   63 - HB3   LEU   63   2.47 +/- 0.43  44.531% * 57.0158% (1.00  10.0 10.00   5.95 239.63) =  65.246%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.53 +/- 0.41  41.510% * 32.2797% (0.57  10.0 10.00   5.85 239.63) =  34.433%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.54 +/- 2.53   1.159% * 10.5962% (0.57   1.0 10.00   0.66   0.14) =   0.316%  kept
          QD2   LEU  115 - HB3   LEU   63   8.97 +/- 2.50  10.813% *  0.0142% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          QG2   VAL   41 - HB3   LEU   63  11.08 +/- 2.04   0.639% *  0.0346% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   63  12.09 +/- 3.39   0.888% *  0.0234% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HB3   LEU   63  15.59 +/- 3.35   0.234% *  0.0234% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.31 +/- 3.01   0.226% *  0.0127% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 239.6:
    * O T HA    LEU   63 - HG    LEU   63   3.23 +/- 0.65  94.299% * 99.8862% (1.00  10.0 10.00   5.98 239.63) =  99.996%  kept
          HB2   HIS   22 - HG    LEU   63  17.53 +/- 5.09   4.926% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HA2   GLY  101 - HG    LEU   63  20.08 +/- 3.24   0.775% *  0.0375% (0.38   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 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 239.6:
    * O T HB2   LEU   63 - HG    LEU   63   2.58 +/- 0.27  77.061% * 99.1997% (1.00  10.0 10.00   6.31 239.63) =  99.975%  kept
          HB3   ASP-  44 - HG    LEU   63   7.44 +/- 2.55  12.927% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.016%
          HB3   PRO   93 - HG    LEU   63  11.28 +/- 3.37   3.249% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HG    LEU   63  18.09 +/- 4.28   1.753% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HG    LEU   63  15.48 +/- 2.95   0.803% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG    LEU   63  14.25 +/- 3.32   0.830% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG    LEU   63  16.65 +/- 3.54   0.571% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HG    LEU   63  17.17 +/- 3.40   0.394% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   63  14.78 +/- 1.50   0.488% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  16.72 +/- 3.83   0.510% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  19.00 +/- 3.22   0.304% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  14.16 +/- 3.44   0.771% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  16.77 +/- 1.84   0.339% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 239.6:
    * O T HB3   LEU   63 - HG    LEU   63   2.83 +/- 0.20  68.129% * 99.7424% (1.00  10.0 10.00   6.00 239.63) =  99.976%  kept
          QG1   VAL   70 - HG    LEU   63   6.27 +/- 1.82  18.165% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.015%
          QG1   VAL   18 - HG    LEU   63   9.20 +/- 2.33   4.375% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HG    LEU   63  10.19 +/- 2.75   7.372% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL  108 - HG    LEU   63  14.86 +/- 2.79   0.711% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HG    LEU   63  11.47 +/- 1.86   1.247% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.842, support = 5.64, residual support = 239.6:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  47.834% * 63.0834% (1.00  10.0 10.00   5.59 239.63) =  63.600%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  48.335% * 35.7149% (0.57  10.0 10.00   5.73 239.63) =  36.385%  kept
        T QD1   LEU   73 - HG    LEU   63  10.50 +/- 2.01   0.635% *  0.6308% (1.00   1.0 10.00   0.02   0.14) =   0.008%
        T QD1   LEU  104 - HG    LEU   63  11.95 +/- 2.94   0.502% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HG    LEU   63   8.44 +/- 2.36   2.318% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QG1   VAL   83 - HG    LEU   63  14.43 +/- 2.62   0.206% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.20 +/- 2.79   0.171% *  0.0505% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.844, support = 5.68, residual support = 239.6:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  47.965% * 63.5438% (1.00  10.0 10.00   5.73 239.63) =  64.087%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  47.468% * 35.9756% (0.57  10.0 10.00   5.59 239.63) =  35.907%  kept
        T QD1   LEU   73 - HG    LEU   63  10.50 +/- 2.01   0.630% *  0.3598% (0.57   1.0 10.00   0.02   0.14) =   0.005%
          QD2   LEU  115 - HG    LEU   63   8.44 +/- 2.36   2.300% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HG    LEU   63  11.88 +/- 3.33   0.760% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  10.94 +/- 2.17   0.505% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  15.42 +/- 3.39   0.202% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  15.20 +/- 2.79   0.170% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.57, residual support = 237.9:
    *   T HA    LEU   63 - QD1   LEU   63   3.41 +/- 0.74  64.471% * 93.2546% (1.00 10.00   5.61 239.63) =  99.276%  kept
          HB2   HIS   22 - QD1   LEU   73   8.05 +/- 1.52   7.360% *  3.6984% (0.76  1.00   1.04   0.02) =   0.449%  kept
          HB2   HIS   22 - QD1   LEU   63  14.96 +/- 4.49   6.226% *  1.7902% (0.76  1.00   0.50   0.02) =   0.184%  kept
        T HA    LEU   63 - QD1   LEU   73  11.01 +/- 2.03   4.674% *  0.9325% (1.00 10.00   0.02   0.14) =   0.072%
        T HA    LEU   63 - QD1   LEU  104  12.22 +/- 3.26   4.047% *  0.2283% (0.24 10.00   0.02   0.02) =   0.015%
          HA2   GLY  101 - QD1   LEU   73  13.95 +/- 3.70   2.575% *  0.0350% (0.38  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   7.47 +/- 1.31   8.778% *  0.0086% (0.09  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   63  16.95 +/- 2.78   0.760% *  0.0350% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  19.25 +/- 4.81   1.110% *  0.0174% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 0.994, support = 6.03, residual support = 234.7:
    * O T HB2   LEU   63 - QD1   LEU   63   2.51 +/- 0.34  40.948% * 73.8852% (1.00  10.0 10.00   6.14 239.63) =  97.920%  kept
        T HB2   LEU   63 - QD1   LEU   73  10.15 +/- 2.54   2.360% * 12.3534% (1.00   1.0 10.00   0.33   0.14) =   0.943%  kept
          HB2   LEU   31 - QD1   LEU   73   7.44 +/- 2.37   2.728% *  6.3889% (0.90   1.0  1.00   1.93   1.82) =   0.564%  kept
          HG2   LYS+  99 - QD1   LEU  104   4.68 +/- 1.46   8.671% *  0.9518% (0.14   1.0  1.00   1.86  18.82) =   0.267%  kept
          HG    LEU   98 - QD1   LEU  104   6.23 +/- 0.79   3.988% *  0.8754% (0.20   1.0  1.00   1.21   9.76) =   0.113%  kept
          HB2   LEU   31 - QD1   LEU   63  14.00 +/- 3.91   1.018% *  2.7205% (0.90   1.0  1.00   0.82   0.02) =   0.090%
          HB3   ASP-  44 - QD1   LEU   63   6.40 +/- 2.91  16.754% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.039%
        T HB3   LEU   80 - QD1   LEU   73  10.81 +/- 3.72   0.933% *  0.7242% (0.98   1.0 10.00   0.02   0.02) =   0.022%
        T HB3   LEU   80 - QD1   LEU   63  14.55 +/- 3.57   0.387% *  0.7242% (0.98   1.0 10.00   0.02   0.02) =   0.009%
          HB3   ASP-  44 - QD1   LEU   73   8.15 +/- 1.95   3.578% *  0.0724% (0.98   1.0  1.00   0.02   3.89) =   0.008%
          HG    LEU   98 - QD1   LEU   73  10.11 +/- 3.34   1.641% *  0.0592% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   63 - QD1   LEU  104  12.37 +/- 2.63   0.527% *  0.1809% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD1   LEU   63   9.39 +/- 3.27   1.695% *  0.0478% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - QD1   LEU   63  15.12 +/- 3.91   1.214% *  0.0617% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU   80 - QD1   LEU  104  16.74 +/- 3.09   0.238% *  0.1773% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   73  13.31 +/- 2.31   0.830% *  0.0478% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   63  12.09 +/- 3.05   0.650% *  0.0592% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  11.11 +/- 2.11   0.648% *  0.0508% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   63  12.97 +/- 2.18   0.463% *  0.0663% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   73  13.04 +/- 3.01   0.566% *  0.0418% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   73  16.93 +/- 4.02   0.354% *  0.0663% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   63  12.45 +/- 1.97   0.417% *  0.0508% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD1   LEU   63  16.12 +/- 2.64   0.549% *  0.0331% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   73  19.58 +/- 3.61   0.236% *  0.0617% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  14.24 +/- 3.37   0.341% *  0.0418% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  13.26 +/- 1.80   0.408% *  0.0331% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  13.35 +/- 3.86   0.792% *  0.0162% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  13.43 +/- 5.07   0.715% *  0.0162% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  13.16 +/- 2.77   0.790% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.54 +/- 2.61   0.485% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  11.89 +/- 3.40   0.706% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.48 +/- 0.85   2.075% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  13.71 +/- 2.19   0.408% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  13.64 +/- 2.36   0.372% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  13.98 +/- 1.97   0.278% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  13.58 +/- 4.21   0.417% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.34 +/- 1.77   0.235% *  0.0117% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  18.52 +/- 2.90   0.140% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  12.98 +/- 2.03   0.445% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 5.75, residual support = 234.9:
    * O T HB3   LEU   63 - QD1   LEU   63   2.53 +/- 0.41  49.552% * 71.8761% (1.00  10.0 10.00   5.85 239.63) =  98.016%  kept
        T HB3   LEU   63 - QD1   LEU   73  10.54 +/- 2.53   2.092% * 23.5941% (1.00   1.0 10.00   0.66   0.14) =   1.358%  kept
          QG1   VAL   18 - QD1   LEU   73   6.66 +/- 2.36   5.330% *  3.9866% (0.69   1.0  1.00   1.61   0.97) =   0.585%  kept
          QG1   VAL   70 - QD1   LEU   63   5.55 +/- 1.30  12.098% *  0.0407% (0.57   1.0  1.00   0.02   0.02) =   0.014%
        T HB3   LEU   63 - QD1   LEU  104  12.19 +/- 2.98   1.464% *  0.1759% (0.24   1.0 10.00   0.02   0.02) =   0.007%
          QD1   LEU   71 - QD1   LEU   73   7.60 +/- 1.72   8.292% *  0.0245% (0.34   1.0  1.00   0.02   1.48) =   0.006%
          QG1   VAL   18 - QD1   LEU   63   8.01 +/- 2.04   3.577% *  0.0494% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - QD1   LEU   63   8.61 +/- 2.06   3.312% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - QD1   LEU   73   8.76 +/- 1.30   1.836% *  0.0407% (0.57   1.0  1.00   0.02   0.78) =   0.002%
          QG1   VAL   70 - QD1   LEU  104   8.74 +/- 3.55   5.050% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   63  12.41 +/- 2.88   0.793% *  0.0465% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   63  10.03 +/- 1.43   1.149% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   73  13.34 +/- 3.78   0.973% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   73  14.40 +/- 2.52   0.458% *  0.0465% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU  104  12.21 +/- 3.11   0.882% *  0.0121% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104  11.00 +/- 3.38   1.521% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  11.58 +/- 4.20   1.111% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.14 +/- 0.72   0.511% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 5.09, residual support = 214.4:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  65.828% * 50.6663% (1.00  10.0 10.00   5.59 239.63) =  89.406%  kept
        T QG2   VAL   24 - QD1   LEU   63  12.24 +/- 4.44  13.811% * 20.5790% (0.97   1.0 10.00   0.84   0.92) =   7.619%  kept
        T QG2   VAL   24 - QD1   LEU   73   6.25 +/- 1.44   4.049% * 25.9012% (0.97   1.0 10.00   1.06   1.36) =   2.811%  kept
        T QG1   VAL  107 - QD1   LEU   63   8.39 +/- 2.71   2.492% *  1.9188% (0.15   1.0 10.00   0.49   0.02) =   0.128%  kept
        T QG2   VAL   24 - QD1   LEU  104  13.94 +/- 3.99   4.076% *  0.1197% (0.24   1.0 10.00   0.02   0.02) =   0.013%
        T HG    LEU   63 - QD1   LEU   73  10.50 +/- 2.01   0.812% *  0.5067% (1.00   1.0 10.00   0.02   0.14) =   0.011%
          HG3   LYS+ 112 - QD1   LEU   63  11.27 +/- 3.51   5.649% *  0.0387% (0.76   1.0  1.00   0.02   0.02) =   0.006%
        T QG1   VAL  107 - QD1   LEU   73  12.15 +/- 2.78   1.224% *  0.0782% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   63 - QD1   LEU  104  11.95 +/- 2.94   0.716% *  0.1240% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL  107 - QD1   LEU  104   9.28 +/- 1.38   1.007% *  0.0191% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   73  17.00 +/- 3.62   0.193% *  0.0387% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.27 +/- 1.90   0.143% *  0.0095% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.74, residual support = 238.7:
    *   T HA    LEU   63 - QD2   LEU   63   2.87 +/- 0.51  83.584% * 97.9446% (1.00 10.00   5.76 239.63) =  99.619%  kept
          HB2   HIS   22 - QD2   LEU   63  14.84 +/- 4.28  15.487% *  2.0187% (0.76  1.00   0.54   0.02) =   0.380%  kept
          HA2   GLY  101 - QD2   LEU   63  16.01 +/- 3.25   0.929% *  0.0368% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.21 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 6.25, residual support = 239.5:
    * O T HB2   LEU   63 - QD2   LEU   63   2.87 +/- 0.40  64.862% * 98.3391% (1.00  10.0 10.00   6.25 239.63) =  99.948%  kept
          HB3   ASP-  44 - QD2   LEU   63   6.65 +/- 2.09  13.185% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.020%
        T HB3   LEU   80 - QD2   LEU   63  14.36 +/- 2.87   0.805% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.012%
          HB3   PRO   93 - QD2   LEU   63   9.96 +/- 3.08   6.777% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   98 - QD2   LEU   63  11.26 +/- 3.28   3.715% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   31 - QD2   LEU   63  13.44 +/- 3.36   1.345% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD2   LEU   63  12.93 +/- 2.79   1.308% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - QD2   LEU   63  15.45 +/- 3.85   1.127% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD2   LEU   63  13.15 +/- 3.58   1.530% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   63  12.44 +/- 1.55   0.913% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   63  11.42 +/- 3.45   2.955% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD2   LEU   63  15.18 +/- 2.86   0.762% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD2   LEU   63  13.92 +/- 2.04   0.718% *  0.0172% (0.18   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 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 239.6:
    * O T HB3   LEU   63 - QD2   LEU   63   2.47 +/- 0.43  61.798% * 99.7424% (1.00  10.0 10.00   5.95 239.63) =  99.967%  kept
          QG1   VAL   70 - QD2   LEU   63   4.79 +/- 1.72  25.887% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.024%
          QG1   VAL   18 - QD2   LEU   63   7.71 +/- 1.71   3.756% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - QD2   LEU   63   8.73 +/- 2.58   6.429% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL  108 - QD2   LEU   63  12.40 +/- 2.63   0.856% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD2   LEU   63   9.28 +/- 1.39   1.275% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.48, residual support = 227.4:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.02  82.863% * 70.6859% (1.00  10.0 10.00   5.73 239.63) =  94.886%  kept
        T QG2   VAL   24 - QD2   LEU   63  12.23 +/- 3.90  10.812% * 29.1510% (0.97   1.0 10.00   0.85   0.92) =   5.106%  kept
        T QG1   VAL  107 - QD2   LEU   63   8.45 +/- 2.81   3.119% *  0.1091% (0.15   1.0 10.00   0.02   0.02) =   0.006%
          HG3   LYS+ 112 - QD2   LEU   63  11.92 +/- 3.25   3.206% *  0.0540% (0.76   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.7:
    * O T QB    ALA   64 - HA    ALA   64   2.13 +/- 0.02  99.571% * 99.9825% (1.00  10.0 10.00   2.00  20.69) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  14.07 +/- 1.89   0.429% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.944, support = 2.11, residual support = 23.0:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.02  79.025% * 72.6945% (1.00  10.0 10.00   2.00  20.69) =  91.055%  kept
        T HB2   PHE   72 - QB    ALA   64   4.01 +/- 0.76  20.686% * 27.2831% (0.38   1.0 10.00   3.28  46.90) =   8.945%  kept
          HB3   ASN   35 - QB    ALA   64  14.99 +/- 1.85   0.289% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.52, residual support = 157.2:
    * O T QB    LYS+  65 - HA    LYS+  65   2.35 +/- 0.16  82.430% * 85.9896% (0.92  10.0 10.00   6.53 159.04) =  98.592%  kept
          QB    LYS+  66 - HA    LYS+  65   5.30 +/- 0.16   7.451% * 13.5209% (0.52   1.0  1.00   5.55  29.94) =   1.401%  kept
          HB3   GLN   17 - HA    LYS+  65  10.81 +/- 4.97   3.893% *  0.0522% (0.56   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HA    LYS+  65  10.59 +/- 2.22   1.911% *  0.0858% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  65 - HA    LYS+ 121  15.38 +/- 2.62   0.411% *  0.0970% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LYS+  65  17.25 +/- 2.62   0.283% *  0.0718% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  14.21 +/- 2.18   0.505% *  0.0323% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  19.96 +/- 2.73   0.167% *  0.0843% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  14.59 +/- 5.01   1.035% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  19.00 +/- 2.84   0.202% *  0.0214% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  16.77 +/- 5.98   0.409% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  20.36 +/- 4.20   0.203% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.47 +/- 2.69   0.207% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  18.72 +/- 6.23   0.418% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  17.21 +/- 5.76   0.352% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  23.24 +/- 4.52   0.122% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.848, support = 5.58, residual support = 163.9:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.81 +/- 0.62  31.341% * 53.0514% (0.92  10.0 10.00   5.39 159.04) =  87.632%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.40 +/- 0.66   2.455% * 38.5232% (0.67   1.0 10.00   5.47  29.94) =   4.985%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.87 +/- 0.62  14.030% *  5.9339% (0.10   1.0 10.00   7.76 313.76) =   4.388%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.53 +/- 0.23  37.567% *  1.4928% (0.03  10.0 10.00   8.20 313.76) =   2.956%  kept
          HB2   LYS+  74 - HA    LYS+  65   9.35 +/- 3.64   7.510% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.018%
        T HD3   LYS+  74 - HA    LYS+  65   9.62 +/- 4.25   2.388% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.010%
          QG2   THR   26 - HA    LYS+  65  12.73 +/- 3.25   1.674% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.005%
        T HD2   LYS+ 121 - HA    LYS+  65  16.81 +/- 2.23   0.149% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LYS+ 121 - HA    LYS+  65  17.67 +/- 2.99   0.159% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HA    LYS+ 121  15.45 +/- 5.04   0.478% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  18.90 +/- 3.25   0.158% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.52 +/- 1.43   0.262% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.21 +/- 3.09   0.186% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  13.99 +/- 7.24   0.787% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  22.30 +/- 3.91   0.094% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  20.91 +/- 4.80   0.140% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.50 +/- 2.90   0.080% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.71 +/- 4.03   0.107% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  17.89 +/- 6.74   0.292% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.86 +/- 1.61   0.142% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.912, support = 5.28, residual support = 160.5:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.19 +/- 0.54  44.754% * 94.0974% (0.92  10.0 10.00   5.27 159.04) =  98.794%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.37 +/- 0.58  21.949% *  2.1015% (0.02   1.0 10.00   6.68 313.76) =   1.082%  kept
        T HG3   LYS+  33 - HA    LYS+  65  16.42 +/- 3.81   3.864% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.085%
          HB3   LEU   73 - HA    LYS+  65  10.39 +/- 2.23   3.623% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HA    LYS+  65   9.75 +/- 3.54  11.552% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 106 - HA    LYS+  65  18.73 +/- 2.02   0.276% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - HA    LYS+ 121  23.73 +/- 6.99   1.723% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HA    LYS+  65  23.37 +/- 3.08   0.157% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    LYS+  65  10.51 +/- 1.38   1.425% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - HA    LYS+ 121  14.40 +/- 4.92   0.995% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - HA    LYS+  65  17.52 +/- 2.42   0.363% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HA    LYS+ 121  18.45 +/- 3.40   0.493% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HA    LYS+ 121  19.81 +/- 7.31   0.491% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+  65  17.10 +/- 4.03   0.452% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+  65  18.44 +/- 2.59   0.334% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  65  15.35 +/- 1.54   0.475% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  15.42 +/- 2.41   0.626% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  15.25 +/- 5.25   1.610% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  16.48 +/- 2.96   0.627% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.14 +/- 4.71   0.651% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  17.04 +/- 2.02   0.364% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  15.53 +/- 5.22   0.952% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.84 +/- 0.70   0.400% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  17.69 +/- 5.71   0.634% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  26.83 +/- 4.96   0.167% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  20.41 +/- 3.09   0.432% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.84 +/- 2.85   0.330% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.66 +/- 4.28   0.281% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.785, support = 5.32, residual support = 183.8:
    *   T QD    LYS+  65 - HA    LYS+  65   3.70 +/- 0.53  27.433% * 85.6949% (0.92   1.0 10.00   4.75 159.04) =  83.211%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.95 +/- 0.11  48.027% *  9.6493% (0.10  10.0 10.00   8.30 313.76) =  16.403%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.89 +/- 0.78   6.764% *  1.3957% (0.04   1.0 10.00   0.85   2.31) =   0.334%  kept
          HD2   LYS+  74 - HA    LYS+  65   9.01 +/- 4.07  10.777% *  0.0485% (0.52   1.0  1.00   0.02   0.02) =   0.019%
        T HB2   LYS+ 121 - HA    LYS+  65  16.71 +/- 2.62   0.346% *  0.8550% (0.92   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  38 - HA    LYS+  65  17.83 +/- 2.45   0.287% *  0.7911% (0.85   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   LEU  123 - HA    LYS+  65  17.33 +/- 3.67   0.369% *  0.2923% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HA    LYS+  65  21.55 +/- 2.68   0.147% *  0.4852% (0.52   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HA    LYS+ 121  16.52 +/- 2.66   0.478% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HA    LYS+  65  18.27 +/- 3.31   0.372% *  0.0849% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  65  11.57 +/- 2.11   1.144% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+  65  24.60 +/- 3.07   0.118% *  0.2137% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 121  21.72 +/- 6.30   0.262% *  0.0893% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HA    LYS+ 121  17.78 +/- 6.23   0.415% *  0.0548% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  65  23.56 +/- 3.19   0.147% *  0.1322% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+  65  17.28 +/- 2.57   0.299% *  0.0322% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  24.26 +/- 5.36   0.982% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  19.28 +/- 1.76   0.191% *  0.0241% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  18.39 +/- 1.56   0.215% *  0.0149% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  14.10 +/- 2.47   0.868% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.65 +/- 3.75   0.162% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.17 +/- 2.90   0.199% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.87, residual support = 158.7:
    *   T QE    LYS+  65 - HA    LYS+  65   4.44 +/- 0.68  58.816% * 97.2340% (0.92 10.00   4.88 159.04) =  99.780%  kept
        T QE    LYS+  33 - HA    LYS+  65  15.27 +/- 4.16  10.041% *  0.8720% (0.83 10.00   0.02   0.02) =   0.153%  kept
        T HB2   ASN   28 - HA    LYS+  65  18.63 +/- 3.94   1.738% *  0.9384% (0.89 10.00   0.02   0.02) =   0.028%
        T QE    LYS+  33 - HA    LYS+ 121  22.24 +/- 6.43   8.870% *  0.0984% (0.09 10.00   0.02   0.02) =   0.015%
        T HB2   ASN   35 - HA    LYS+  65  20.84 +/- 3.46   1.227% *  0.5898% (0.56 10.00   0.02   0.02) =   0.013%
        T QE    LYS+  65 - HA    LYS+ 121  17.27 +/- 2.90   2.295% *  0.1097% (0.10 10.00   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HA    LYS+  65  16.89 +/- 4.91   5.993% *  0.0365% (0.35  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HA    LYS+  65  20.56 +/- 3.12   1.098% *  0.0898% (0.85  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HA    LYS+ 121  23.92 +/- 5.31   2.450% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  26.12 +/- 5.18   5.189% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  26.09 +/- 6.09   0.918% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  25.21 +/- 7.84   1.365% *  0.0067% (0.06  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 = 6.53, residual support = 159.0:
    * O T HA    LYS+  65 - QB    LYS+  65   2.35 +/- 0.16  88.714% * 98.7802% (0.92  10.0 10.00   6.53 159.04) =  99.988%  kept
          QB    SER   48 - QB    LYS+  65  14.25 +/- 4.16   4.339% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - QB    LYS+  65  15.38 +/- 2.62   0.443% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - QB    LYS+  65  13.39 +/- 4.78   1.606% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QB    LYS+  65  15.96 +/- 3.13   1.622% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QB    LYS+  65  14.31 +/- 2.76   0.620% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QB    LYS+  65  13.45 +/- 2.49   0.825% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QB    LYS+  65  15.36 +/- 2.88   0.740% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  19.12 +/- 2.85   0.207% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  15.00 +/- 1.40   0.393% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  18.77 +/- 3.08   0.324% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  20.60 +/- 3.07   0.165% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.80, 1.80, 33.13 ppm):
    1 diagonal assignment:
    *     QB    LYS+  65 - QB    LYS+  65  (1.00)  kept
 
    Peak 689 (1.50, 1.80, 33.13 ppm):
    10 chemical-shift based assignments, quality = 0.971, support = 5.77, residual support = 145.4:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.42 +/- 0.12  61.569% * 57.5064% (1.00  10.0 10.00   5.82 159.04) =  89.417%  kept
        T QD    LYS+  66 - QB    LYS+  65   5.31 +/- 0.95  10.002% * 41.7582% (0.73   1.0 10.00   5.35  29.94) =  10.548%  kept
          HB2   LYS+  74 - QB    LYS+  65   9.00 +/- 3.32  14.376% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.017%
          QG2   THR   26 - QB    LYS+  65  12.08 +/- 3.28   6.875% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.010%
        T HD2   LYS+ 121 - QB    LYS+  65  13.94 +/- 2.00   0.403% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HD3   LYS+  74 - QB    LYS+  65   8.94 +/- 3.80   5.369% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  65  14.73 +/- 2.57   0.424% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.23 +/- 1.39   0.418% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  16.43 +/- 2.98   0.352% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.80 +/- 2.26   0.214% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 159.0:
    * O T QD    LYS+  65 - QB    LYS+  65   2.14 +/- 0.13  84.390% * 97.4795% (1.00  10.0 10.00   5.28 159.04) =  99.985%  kept
          HD2   LYS+  74 - QB    LYS+  65   8.56 +/- 3.64  11.524% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.008%
        T QD    LYS+  38 - QB    LYS+  65  17.23 +/- 2.28   0.223% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   93 - QB    LYS+  65  14.31 +/- 2.46   0.412% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QB    LYS+  65  19.51 +/- 2.74   0.144% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+  65  13.83 +/- 2.33   0.488% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  65   9.27 +/- 1.90   1.578% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QB    LYS+  65  16.49 +/- 3.12   0.430% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QB    LYS+  65  20.56 +/- 2.53   0.122% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.63 +/- 2.61   0.152% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  14.14 +/- 3.19   0.537% *  0.0333% (0.34   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 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.42, residual support = 159.0:
    *   T QE    LYS+  65 - QB    LYS+  65   3.13 +/- 0.51  87.361% * 98.8300% (1.00 10.00   5.42 159.04) =  99.964%  kept
        T QE    LYS+  33 - QB    LYS+  65  14.99 +/- 3.46   2.981% *  0.8863% (0.90 10.00   0.02   0.02) =   0.031%
          HB2   ASP-  78 - QB    LYS+  65  14.79 +/- 4.51   7.105% *  0.0371% (0.38  1.00   0.02   0.02) =   0.003%
          HB2   ASN   28 - QB    LYS+  65  17.49 +/- 4.01   1.121% *  0.0954% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  65  18.50 +/- 2.94   0.905% *  0.0912% (0.92  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+  65  19.97 +/- 2.99   0.527% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.39, residual support = 159.0:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.81 +/- 0.62  90.819% * 97.8884% (0.92  10.0 10.00   5.39 159.04) =  99.982%  kept
        T HA    ALA  120 - HG2   LYS+  65  17.83 +/- 3.21   0.695% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - HG2   LYS+  65  18.90 +/- 3.25   0.574% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - HG2   LYS+  65  14.61 +/- 5.68   1.673% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HG2   LYS+  65  16.31 +/- 4.65   2.041% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG2   LYS+  65  15.88 +/- 3.19   0.941% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   LYS+  65  21.51 +/- 3.50   0.377% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  18.70 +/- 3.72   0.729% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  18.11 +/- 3.49   0.738% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  20.90 +/- 3.99   0.678% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  18.30 +/- 1.65   0.449% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  23.51 +/- 3.73   0.285% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.96, support = 5.69, residual support = 147.1:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.42 +/- 0.12  79.869% * 63.6862% (1.00  10.0 10.00   5.82 159.04) =  90.738%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.48 +/- 1.36  14.393% * 36.0562% (0.57   1.0 10.00   4.47  29.94) =   9.258%  kept
          HB3   GLN   17 - HG2   LYS+  65  11.67 +/- 4.71   3.214% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HG2   LYS+  65  12.68 +/- 2.55   1.343% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - HG2   LYS+  65  17.13 +/- 3.06   0.397% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.06 +/- 3.24   0.185% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  15.92 +/- 2.25   0.376% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  20.06 +/- 3.39   0.223% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.53, residual support = 158.9:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.38 +/- 0.15  89.110% * 96.4735% (1.00  10.0 10.00   4.53 159.04) =  99.945%  kept
        T HD2   LYS+  74 - HG2   LYS+  65   9.41 +/- 3.93   7.107% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.045%
        T HB2   LYS+ 121 - HG2   LYS+  65  17.16 +/- 2.91   0.412% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HG2   LYS+  65  19.44 +/- 2.67   0.234% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   LYS+  65  22.62 +/- 3.08   0.148% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  65  18.44 +/- 3.80   0.572% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  65  11.30 +/- 2.50   1.347% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  24.40 +/- 2.86   0.104% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  23.39 +/- 2.95   0.126% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  17.09 +/- 3.11   0.415% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  17.60 +/- 3.81   0.426% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 159.0:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.61 +/- 0.47  92.217% * 98.8300% (1.00  10.0 10.00   4.56 159.04) =  99.957%  kept
        T QE    LYS+  33 - HG2   LYS+  65  16.53 +/- 4.18   4.152% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.040%
          HB2   ASN   28 - HG2   LYS+  65  19.20 +/- 4.73   0.986% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HG2   LYS+  65  16.28 +/- 5.27   1.657% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG2   LYS+  65  22.41 +/- 3.96   0.617% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  20.92 +/- 3.56   0.370% *  0.0912% (0.92   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 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 158.9:
    *   T HA    LYS+  65 - QD    LYS+  65   3.70 +/- 0.53  44.718% * 96.9449% (0.92 10.00   4.75 159.04) =  99.940%  kept
        T HA    LYS+ 121 - QD    LYS+  65  16.52 +/- 2.66   0.955% *  0.5946% (0.57 10.00   0.02   0.02) =   0.013%
          QB    SER   48 - QD    LYS+  65  14.54 +/- 4.48   3.567% *  0.0803% (0.76  1.00   0.02   0.02) =   0.007%
          HA2   GLY   16 - QD    LYS+  65  13.99 +/- 4.78   2.408% *  0.1014% (0.97  1.00   0.02   0.02) =   0.006%
          HB    THR   94 - QD    LYS+  65  14.26 +/- 3.49   2.245% *  0.0679% (0.65  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - QD    LYS+ 102  17.78 +/- 6.23   0.814% *  0.1503% (0.14 10.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - QD    LYS+  65  16.16 +/- 3.50   2.203% *  0.0511% (0.49  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - QD    LYS+  38  17.83 +/- 2.45   0.564% *  0.1771% (0.17 10.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QD    LYS+  65  15.41 +/- 2.56   0.990% *  0.0993% (0.95  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - QD    LYS+ 102  21.55 +/- 2.68   0.330% *  0.2450% (0.23 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - QD    LYS+  38  21.72 +/- 6.30   0.652% *  0.1086% (0.10 10.00   0.02   0.02) =   0.002%
          QB    SER   85 - QD    LYS+  65  19.58 +/- 3.82   0.640% *  0.1014% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+ 111  19.28 +/- 1.76   0.388% *  0.1472% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD3   LYS+ 111  24.60 +/- 3.07   0.231% *  0.2400% (0.23 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    LYS+  65  15.68 +/- 3.27   1.406% *  0.0358% (0.34  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD2   LYS+ 111  23.56 +/- 3.19   0.290% *  0.1485% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD2   LYS+ 111  18.39 +/- 1.56   0.442% *  0.0911% (0.09 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+ 102  22.11 +/- 4.71   1.309% *  0.0256% (0.24  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+ 111  14.36 +/- 2.86   1.896% *  0.0168% (0.16  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD2   LYS+ 111  13.74 +/- 2.97   2.456% *  0.0104% (0.10  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+  38  14.91 +/- 3.31   1.364% *  0.0185% (0.18  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD    LYS+ 102  16.44 +/- 2.88   0.922% *  0.0256% (0.24  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    LYS+  38  23.18 +/- 6.52   1.226% *  0.0181% (0.17  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QD    LYS+  65  19.63 +/- 3.60   0.943% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.93 +/- 1.75   0.734% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111  10.16 +/- 1.31   2.953% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  17.72 +/- 3.41   0.759% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   9.46 +/- 1.10   3.596% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38   9.71 +/- 1.45   3.538% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  19.99 +/- 3.66   0.471% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  17.90 +/- 1.42   0.476% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  21.69 +/- 4.10   0.525% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  17.39 +/- 3.54   0.855% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  17.21 +/- 3.32   0.824% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  20.66 +/- 4.62   0.395% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.68 +/- 1.64   0.576% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  15.01 +/- 2.90   1.089% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  21.27 +/- 4.30   0.518% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.98 +/- 1.28   0.560% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.81 +/- 3.38   1.000% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  14.58 +/- 3.03   1.319% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  19.89 +/- 3.48   0.452% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  17.42 +/- 4.88   0.900% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  23.43 +/- 4.23   0.322% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.43 +/- 3.95   0.090% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  22.79 +/- 2.75   0.247% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  17.40 +/- 3.57   0.659% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  26.59 +/- 4.41   0.323% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  16.71 +/- 2.84   0.724% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.62 +/- 1.62   0.257% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  19.03 +/- 4.05   0.664% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  24.65 +/- 3.47   0.326% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  32.21 +/- 4.09   0.101% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  22.43 +/- 4.21   0.393% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  31.16 +/- 4.22   0.118% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  18.89 +/- 3.87   0.644% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  28.11 +/- 4.89   0.165% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  27.01 +/- 3.80   0.171% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  24.69 +/- 2.41   0.199% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  31.60 +/- 3.95   0.100% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.20 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.853, support = 5.15, residual support = 156.2:
    * O T QB    LYS+  65 - QD    LYS+  65   2.14 +/- 0.13  39.706% * 69.3534% (1.00  10.0 10.00   5.28 159.04) =  79.652%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.23 +/- 0.25  36.369% * 17.1822% (0.25  10.0 10.00   4.75 160.16) =  18.075%  kept
          QB    LYS+  66 - QD    LYS+  65   5.22 +/- 1.24   8.108% *  8.5771% (0.57   1.0  1.00   4.37  29.94) =   2.011%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.66 +/- 3.74   6.485% *  0.9977% (0.13   1.0 10.00   0.22   0.02) =   0.187%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.40 +/- 1.00   2.420% *  0.8543% (0.06   1.0  1.00   3.91  23.49) =   0.060%
        T HG2   PRO   93 - QD    LYS+  65  15.04 +/- 3.22   0.249% *  0.5793% (0.84   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+ 102 - QD    LYS+  38  13.94 +/- 4.54   0.661% *  0.1242% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - QD    LYS+  65  19.33 +/- 3.53   0.092% *  0.6798% (0.98   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - QD    LYS+  65  15.12 +/- 2.31   0.152% *  0.2603% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65  11.44 +/- 3.82   0.744% *  0.0421% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HD3   LYS+ 111  10.28 +/- 3.74   1.675% *  0.0143% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  65  12.58 +/- 2.09   0.308% *  0.0692% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+ 102  12.80 +/- 3.31   0.284% *  0.0658% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  38  10.83 +/- 1.39   0.390% *  0.0476% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - QD    LYS+  38  17.23 +/- 2.28   0.098% *  0.1267% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  19.51 +/- 2.74   0.065% *  0.1753% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  20.56 +/- 2.53   0.057% *  0.1717% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.63 +/- 2.61   0.071% *  0.1062% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  20.87 +/- 1.80   0.050% *  0.1464% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.38 +/- 1.97   0.516% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.52 +/- 2.44   0.041% *  0.1041% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  24.90 +/- 3.53   0.035% *  0.1058% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  18.43 +/- 3.81   0.133% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  18.15 +/- 3.48   0.093% *  0.0175% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.85 +/- 3.30   0.036% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.28 +/- 2.82   0.186% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  21.15 +/- 3.97   0.105% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.85 +/- 3.32   0.103% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  16.11 +/- 2.70   0.131% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  20.20 +/- 3.95   0.148% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.11 +/- 4.73   0.070% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  23.10 +/- 2.78   0.039% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  16.27 +/- 3.26   0.151% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  27.90 +/- 4.09   0.025% *  0.0171% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  26.93 +/- 4.20   0.030% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  21.73 +/- 3.02   0.052% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  24.74 +/- 3.21   0.031% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  30.42 +/- 3.74   0.017% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  21.07 +/- 2.87   0.057% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  29.38 +/- 3.91   0.019% *  0.0064% (0.09   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 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.957, support = 4.52, residual support = 153.3:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.38 +/- 0.15  41.956% * 54.0927% (1.00  10.0 10.00   4.53 159.04) =  90.448%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.76 +/- 1.12   4.565% * 39.2794% (0.73   1.0 10.00   4.21  29.94) =   7.145%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.23 +/- 0.55  21.800% *  1.4512% (0.03  10.0  1.00   5.20 315.14) =   1.261%  kept
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.73 +/- 0.33  11.310% *  2.3452% (0.04  10.0  1.00   5.20 315.14) =   1.057%  kept
        T HB2   LYS+  74 - QD    LYS+  65   9.89 +/- 3.41   3.257% *  0.4518% (0.84   1.0 10.00   0.02   0.02) =   0.059%
        T HD3   LYS+  74 - QD    LYS+  65   9.63 +/- 4.05   2.659% *  0.0835% (0.15   1.0 10.00   0.02   0.02) =   0.009%
        T HD2   LYS+ 121 - QD    LYS+  65  15.07 +/- 2.50   0.261% *  0.5361% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          QG2   THR   26 - QD    LYS+  65  12.38 +/- 3.33   1.851% *  0.0536% (0.99   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  66 - QD    LYS+  38  16.70 +/- 3.52   0.607% *  0.0718% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 121 - QD    LYS+  65  15.90 +/- 2.66   0.277% *  0.1349% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+ 102  16.45 +/- 6.17   0.243% *  0.1355% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - QD    LYS+ 102  19.91 +/- 4.00   0.215% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD3   LYS+ 111  18.16 +/- 2.77   0.126% *  0.1327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QD    LYS+ 102   7.01 +/- 1.38   4.785% *  0.0034% (0.06   1.0  1.00   0.02   0.39) =   0.001%
        T QD    LYS+  66 - HD3   LYS+ 111  22.08 +/- 4.15   0.143% *  0.0972% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+  38  20.73 +/- 5.23   0.118% *  0.0979% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  19.44 +/- 2.67   0.110% *  0.0988% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  18.13 +/- 2.07   0.117% *  0.0825% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  22.62 +/- 3.08   0.068% *  0.1367% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  16.63 +/- 6.14   0.241% *  0.0341% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  24.40 +/- 2.86   0.047% *  0.1339% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  17.80 +/- 4.20   0.423% *  0.0136% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  24.50 +/- 3.64   0.051% *  0.1119% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  17.89 +/- 3.71   0.368% *  0.0135% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  23.39 +/- 2.95   0.058% *  0.0829% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  17.99 +/- 1.72   0.108% *  0.0334% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   7.92 +/- 1.24   1.537% *  0.0022% (0.04   1.0  1.00   0.02   0.78) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  21.17 +/- 5.51   0.115% *  0.0246% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  20.94 +/- 3.90   0.121% *  0.0211% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.74 +/- 1.41   0.256% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.68 +/- 1.60   0.204% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  20.10 +/- 2.36   0.097% *  0.0152% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  19.99 +/- 3.77   0.127% *  0.0114% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  24.18 +/- 4.37   0.061% *  0.0207% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  17.24 +/- 2.59   0.145% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  21.17 +/- 4.06   0.179% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.64 +/- 2.40   0.102% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  14.39 +/- 4.27   0.292% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  14.87 +/- 4.25   0.335% *  0.0025% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  25.53 +/- 3.50   0.040% *  0.0133% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  23.68 +/- 3.75   0.063% *  0.0069% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.84 +/- 3.65   0.046% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  17.12 +/- 1.55   0.125% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  22.80 +/- 3.80   0.070% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  22.01 +/- 3.39   0.071% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  22.23 +/- 2.72   0.059% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  26.32 +/- 3.16   0.036% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  23.38 +/- 4.36   0.076% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  25.33 +/- 3.23   0.042% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  27.80 +/- 3.51   0.032% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 159.0:
    * O T QE    LYS+  65 - QD    LYS+  65   2.09 +/- 0.03  87.754% * 97.0780% (1.00  10.0 10.00   4.13 159.04) =  99.985%  kept
        T QE    LYS+  33 - QD    LYS+  65  15.70 +/- 3.40   0.798% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.008%
        T QE    LYS+  33 - QD    LYS+  38   9.65 +/- 1.47   1.215% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - QD    LYS+ 102  17.58 +/- 3.52   0.205% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - QD    LYS+  65  14.99 +/- 4.91   1.140% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   6.73 +/- 1.26   3.642% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  19.52 +/- 5.76   1.645% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  17.99 +/- 4.50   0.374% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  21.28 +/- 3.65   0.135% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  18.80 +/- 2.26   0.152% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  19.22 +/- 3.99   0.294% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.77 +/- 2.28   0.090% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.88 +/- 2.43   0.106% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  15.16 +/- 2.85   0.489% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.44 +/- 4.18   0.044% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  21.04 +/- 3.43   0.158% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  17.16 +/- 5.34   0.477% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.66 +/- 4.32   0.052% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  15.37 +/- 2.26   0.317% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.10 +/- 3.54   0.096% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  21.19 +/- 3.43   0.122% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  22.19 +/- 5.29   0.174% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  21.71 +/- 3.47   0.105% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.41 +/- 4.52   0.103% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.08 +/- 4.14   0.033% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  22.94 +/- 4.42   0.110% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  25.21 +/- 3.57   0.082% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.32 +/- 4.12   0.036% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  33.86 +/- 3.88   0.023% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  33.01 +/- 3.85   0.026% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.885, support = 4.81, residual support = 152.4:
    *   T HA    LYS+  65 - QE    LYS+  65   4.44 +/- 0.68  37.938% * 88.0388% (0.92 10.00   4.88 159.04) =  95.440%  kept
        T HA    GLN   32 - QE    LYS+  33   6.61 +/- 1.22  15.671% *  9.7024% (0.10 10.00   3.59  14.92) =   4.345%  kept
        T HA    LYS+  65 - QE    LYS+  33  15.27 +/- 4.16   6.912% *  0.4526% (0.47 10.00   0.02   0.02) =   0.089%
        T HA    LYS+ 121 - QE    LYS+  33  22.24 +/- 6.43   5.406% *  0.2776% (0.29 10.00   0.02   0.02) =   0.043%
        T HA    LYS+ 121 - QE    LYS+  65  17.27 +/- 2.90   1.700% *  0.5399% (0.57 10.00   0.02   0.02) =   0.026%
          QB    SER   48 - QE    LYS+  65  14.70 +/- 4.81   5.810% *  0.0729% (0.76  1.00   0.02   0.02) =   0.012%
          HA2   GLY   16 - QE    LYS+  33  12.32 +/- 3.27   7.308% *  0.0473% (0.50  1.00   0.02   0.02) =   0.010%
          HA2   GLY   16 - QE    LYS+  65  14.22 +/- 4.63   2.754% *  0.0920% (0.97  1.00   0.02   0.02) =   0.007%
        T HA    GLN   32 - QE    LYS+  65  20.10 +/- 3.58   1.188% *  0.1887% (0.20 10.00   0.02   0.02) =   0.006%
          HA    ALA  120 - QE    LYS+  65  16.13 +/- 2.72   1.418% *  0.0902% (0.95  1.00   0.02   0.02) =   0.004%
          HB    THR   94 - QE    LYS+  65  14.77 +/- 3.41   1.976% *  0.0617% (0.65  1.00   0.02   0.02) =   0.003%
          QB    SER   85 - QE    LYS+  65  19.77 +/- 3.95   1.263% *  0.0920% (0.97  1.00   0.02   0.02) =   0.003%
          HA    ALA  120 - QE    LYS+  33  23.18 +/- 6.19   2.474% *  0.0464% (0.49  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - QE    LYS+  65  16.46 +/- 3.74   1.243% *  0.0464% (0.49  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - QE    LYS+  33  20.93 +/- 4.11   1.136% *  0.0375% (0.39  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QE    LYS+  65  16.06 +/- 3.59   1.197% *  0.0325% (0.34  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  33  20.65 +/- 3.50   0.542% *  0.0473% (0.50  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QE    LYS+  65  16.55 +/- 1.45   0.882% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QE    LYS+  33  19.89 +/- 1.91   0.478% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  22.57 +/- 4.47   1.019% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  21.65 +/- 4.31   0.710% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  25.99 +/- 3.61   0.347% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  25.00 +/- 3.47   0.328% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.38 +/- 2.65   0.300% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.13 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.979, support = 5.37, residual support = 152.9:
    *   T QB    LYS+  65 - QE    LYS+  65   3.13 +/- 0.51  50.962% * 88.1436% (1.00 10.00   5.42 159.04) =  95.290%  kept
          QB    LYS+  66 - QE    LYS+  65   5.67 +/- 1.55  20.309% * 10.8379% (0.57  1.00   4.34  29.94) =   4.669%  kept
        T QB    LYS+  65 - QE    LYS+  33  14.99 +/- 3.46   1.551% *  0.4531% (0.51 10.00   0.02   0.02) =   0.015%
          HB2   LEU   71 - QE    LYS+  33   9.08 +/- 3.83  11.098% *  0.0452% (0.51  1.00   0.02   0.02) =   0.011%
          HB3   GLN   17 - QE    LYS+  65  11.52 +/- 3.81   4.815% *  0.0535% (0.61  1.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - QE    LYS+  65  13.07 +/- 2.30   2.160% *  0.0879% (1.00  1.00   0.02   0.02) =   0.004%
          HB3   GLN   17 - QE    LYS+  33  11.49 +/- 2.60   2.359% *  0.0275% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QE    LYS+  65  15.51 +/- 2.75   0.684% *  0.0736% (0.84  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  33  15.46 +/- 3.69   1.622% *  0.0257% (0.29  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  65  19.90 +/- 3.64   0.396% *  0.0864% (0.98  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  33  10.67 +/- 1.94   1.926% *  0.0170% (0.19  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  33  16.38 +/- 3.44   0.513% *  0.0444% (0.50  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  15.82 +/- 2.03   0.507% *  0.0331% (0.38  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  19.08 +/- 3.82   0.498% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  23.48 +/- 2.67   0.170% *  0.0378% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  17.32 +/- 2.80   0.428% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 0.993, support = 4.55, residual support = 156.0:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.61 +/- 0.47  56.439% * 85.4170% (1.00  10.0 10.00   4.56 159.04) =  97.629%  kept
          QD    LYS+  66 - QE    LYS+  65   6.17 +/- 1.62   8.422% * 13.6117% (0.73   1.0  1.00   4.39  29.94) =   2.322%  kept
          QG2   THR   26 - QE    LYS+  65  12.40 +/- 3.72  11.140% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.019%
        T HG2   LYS+  65 - QE    LYS+  33  16.53 +/- 4.18   1.574% *  0.4391% (0.51   1.0 10.00   0.02   0.02) =   0.014%
          QG2   THR   26 - QE    LYS+  33   6.56 +/- 1.63   9.099% *  0.0435% (0.51   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LYS+  74 - QE    LYS+  65  10.10 +/- 3.11   2.528% *  0.0713% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HD3   LYS+  74 - QE    LYS+  65   9.71 +/- 3.95   3.785% *  0.0132% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  65  15.82 +/- 2.51   0.419% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QE    LYS+  33  16.20 +/- 3.73   0.856% *  0.0319% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  33  21.10 +/- 5.54   0.624% *  0.0435% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  33  13.48 +/- 1.99   0.513% *  0.0367% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  18.58 +/- 3.81   0.585% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.33 +/- 2.41   1.244% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.68 +/- 2.78   0.406% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  21.51 +/- 5.76   0.699% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.93 +/- 3.87   0.677% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.41 +/- 1.63   0.382% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.16 +/- 1.81   0.194% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  15.67 +/- 2.21   0.325% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  27.03 +/- 4.18   0.089% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 159.0:
    * O T QD    LYS+  65 - QE    LYS+  65   2.09 +/- 0.03  87.292% * 96.2302% (1.00  10.0 10.00   4.13 159.04) =  99.979%  kept
        T QD    LYS+  38 - QE    LYS+  33   9.65 +/- 1.47   1.209% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  65 - QE    LYS+  33  15.70 +/- 3.40   0.793% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.005%
          HD2   LYS+  74 - QE    LYS+  65   9.61 +/- 3.58   4.152% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - QE    LYS+  65  18.80 +/- 2.26   0.151% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   83 - QE    LYS+  65  17.26 +/- 3.98   1.291% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  65  21.28 +/- 3.65   0.134% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  33  17.58 +/- 3.52   0.204% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QE    LYS+  65  15.77 +/- 2.70   0.467% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65  10.05 +/- 2.45   1.530% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.77 +/- 2.28   0.089% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  21.12 +/- 5.53   0.374% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.88 +/- 2.43   0.106% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  15.42 +/- 2.87   0.347% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  15.88 +/- 3.39   0.380% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.68 +/- 2.29   0.365% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  18.42 +/- 4.07   0.195% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  22.98 +/- 6.61   0.527% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.44 +/- 4.18   0.044% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.66 +/- 4.32   0.051% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.07 +/- 2.90   0.219% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.50 +/- 2.94   0.078% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.989, support = 5.19, residual support = 115.8:
    * O T QB    LYS+  66 - HA    LYS+  66   2.33 +/- 0.15  82.517% * 86.0467% (1.00  10.0 10.00   5.19 118.02) =  97.533%  kept
          QB    LYS+  65 - HA    LYS+  66   4.38 +/- 0.36  13.708% * 13.0826% (0.57   1.0  1.00   5.37  29.94) =   2.463%  kept
        T HB3   PRO   52 - HA    LYS+  66  20.45 +/- 3.30   0.187% *  0.4872% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    LYS+  66  15.59 +/- 4.98   1.685% *  0.0487% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  66  12.10 +/- 2.10   0.906% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LYS+  66  15.77 +/- 1.90   0.309% *  0.0814% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  18.66 +/- 2.85   0.235% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  19.91 +/- 3.58   0.223% *  0.0719% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  20.26 +/- 3.65   0.231% *  0.0591% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.969, support = 4.37, residual support = 110.9:
    * O T QG    LYS+  66 - HA    LYS+  66   2.75 +/- 0.48  70.586% * 64.6470% (1.00  10.0 10.00   4.38 118.02) =  93.186%  kept
        T HG    LEU   67 - HA    LYS+  66   6.50 +/- 0.95   9.573% * 24.2627% (0.38   1.0 10.00   4.66  14.08) =   4.743%  kept
          HB3   LEU   67 - HA    LYS+  66   5.78 +/- 0.55   9.411% * 10.7298% (0.95   1.0  1.00   3.51  14.08) =   2.062%  kept
          QB    ALA   61 - HA    LYS+  66   8.48 +/- 1.31   3.225% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA  110 - HA    LYS+  66  18.59 +/- 3.94   1.932% *  0.0392% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HA    LYS+  66  12.45 +/- 1.68   1.459% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HA    LYS+  66  14.34 +/- 1.69   0.689% *  0.0612% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    LYS+  66  16.26 +/- 3.62   0.992% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+  66  14.09 +/- 2.43   0.790% *  0.0340% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HA    LYS+  66  23.62 +/- 3.94   0.348% *  0.0561% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  20.56 +/- 3.32   0.373% *  0.0418% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  19.76 +/- 3.34   0.623% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.982, support = 4.43, residual support = 112.4:
    *   T QD    LYS+  66 - HA    LYS+  66   2.99 +/- 0.69  61.715% * 85.3216% (1.00 10.00   4.43 118.02) =  93.573%  kept
          HG2   LYS+  65 - HA    LYS+  66   5.32 +/- 1.25  26.339% * 13.6976% (0.73  1.00   4.42  29.94) =   6.411%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  16.40 +/- 4.13   0.560% *  0.6832% (0.80 10.00   0.02   0.02) =   0.007%
          HD3   LYS+  74 - HA    LYS+  66  12.61 +/- 4.25   3.993% *  0.0449% (0.53  1.00   0.02   0.02) =   0.003%
          HG    LEU  104 - HA    LYS+  66  18.35 +/- 4.66   2.285% *  0.0586% (0.69  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    LYS+  66  12.73 +/- 3.29   2.903% *  0.0320% (0.38  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    LYS+  66  15.00 +/- 3.21   1.285% *  0.0552% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HA    LYS+  66  17.30 +/- 4.89   0.520% *  0.0586% (0.69  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+  66  22.24 +/- 3.92   0.400% *  0.0483% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 118.0:
    *   T QE    LYS+  66 - HA    LYS+  66   4.25 +/- 0.79  83.703% * 99.6609% (1.00 10.00   4.30 118.02) =  99.979%  kept
        T HB2   ASP-  76 - HA    LYS+  66  16.51 +/- 3.77   6.103% *  0.2219% (0.22 10.00   0.02   0.02) =   0.016%
          HB2   ASN   69 - HA    LYS+  66   9.61 +/- 1.56   8.737% *  0.0308% (0.31  1.00   0.02   0.22) =   0.003%
          HB3   ASN   35 - HA    LYS+  66  21.56 +/- 3.88   1.457% *  0.0864% (0.87  1.00   0.02   0.02) =   0.002%
    Distance limit 4.59 A violated in 0 structures by 0.13 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 118.0:
    * O T HA    LYS+  66 - QB    LYS+  66   2.33 +/- 0.15  97.001% * 99.9488% (1.00  10.0 10.00   5.19 118.02) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66  13.12 +/- 4.67   2.340% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  19.20 +/- 3.28   0.408% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.08 +/- 3.35   0.251% *  0.0223% (0.22   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 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 = 0.987, support = 4.58, residual support = 114.8:
    * O T QG    LYS+  66 - QB    LYS+  66   2.07 +/- 0.03  81.033% * 64.3864% (1.00  10.0 10.00   4.59 118.02) =  96.871%  kept
        T HG    LEU   67 - QB    LYS+  66   6.01 +/- 0.80   4.420% * 24.1649% (0.38   1.0 10.00   4.59  14.08) =   1.983%  kept
          HB3   LEU   67 - QB    LYS+  66   5.19 +/- 0.58   5.787% * 10.5869% (0.95   1.0  1.00   3.48  14.08) =   1.138%  kept
          QB    ALA   61 - QB    LYS+  66   7.45 +/- 1.28   2.447% *  0.0538% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 102 - QB    LYS+  66  20.42 +/- 3.80   0.169% *  0.5585% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  110 - QB    LYS+  66  15.53 +/- 3.52   1.825% *  0.0391% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QB    LYS+  66  13.07 +/- 3.74   2.015% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QB    LYS+  66  10.92 +/- 2.09   1.030% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+  66  12.96 +/- 1.74   0.417% *  0.0609% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  12.93 +/- 1.99   0.420% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  18.22 +/- 2.99   0.176% *  0.0417% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  17.44 +/- 2.77   0.261% *  0.0113% (0.18   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 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 0.977, support = 4.53, residual support = 110.7:
    * O T QD    LYS+  66 - QB    LYS+  66   2.21 +/- 0.14  81.945% * 57.5492% (1.00  10.0 10.00   4.54 118.02) =  91.640%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.48 +/- 1.36  10.278% * 41.7893% (0.73   1.0 10.00   4.47  29.94) =   8.347%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  13.31 +/- 4.22   1.004% *  0.4608% (0.80   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU  104 - QB    LYS+  66  15.54 +/- 4.57   2.349% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - QB    LYS+  66  14.08 +/- 4.94   1.171% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  66  11.46 +/- 3.11   1.153% *  0.0303% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QB    LYS+  66  13.54 +/- 3.12   0.822% *  0.0372% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QB    LYS+  66  11.61 +/- 2.32   0.892% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  18.44 +/- 3.82   0.386% *  0.0326% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.48, residual support = 118.0:
    *   T QE    LYS+  66 - QB    LYS+  66   3.24 +/- 0.44  87.272% * 99.6609% (1.00 10.00   4.48 118.02) =  99.990%  kept
        T HB2   ASP-  76 - QB    LYS+  66  14.62 +/- 2.74   2.433% *  0.2219% (0.22 10.00   0.02   0.02) =   0.006%
          HB2   ASN   69 - QB    LYS+  66   8.98 +/- 1.42   9.448% *  0.0308% (0.31  1.00   0.02   0.22) =   0.003%
          HB3   ASN   35 - QB    LYS+  66  19.41 +/- 3.53   0.847% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.99, support = 4.38, residual support = 116.9:
    * O T HA    LYS+  66 - QG    LYS+  66   2.75 +/- 0.48  76.696% * 92.8046% (1.00  10.0 10.00   4.38 118.02) =  98.953%  kept
        T HA    LYS+  66 - HG    LEU   67   6.50 +/- 0.95  10.538% *  7.1442% (0.08   1.0 10.00   4.66  14.08) =   1.047%  kept
          HA1   GLY   16 - QG    LYS+  66  13.49 +/- 5.05   2.094% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  19.33 +/- 3.41   0.754% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67  11.64 +/- 6.18   8.763% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  20.49 +/- 3.78   0.385% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  17.98 +/- 3.52   0.518% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  21.12 +/- 2.64   0.252% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.986, support = 4.63, residual support = 115.1:
    * O T QB    LYS+  66 - QG    LYS+  66   2.07 +/- 0.03  70.772% * 84.5252% (1.00  10.0 10.00   4.59 118.02) =  96.712%  kept
          QB    LYS+  65 - QG    LYS+  66   4.22 +/- 1.05  14.869% * 13.6110% (0.57   1.0  1.00   5.69  29.94) =   3.272%  kept
        T HB    VAL   41 - QG    LYS+  66  14.19 +/- 2.71   0.373% *  0.7996% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  66 - HG    LEU   67   6.01 +/- 0.80   3.872% *  0.0651% (0.08   1.0 10.00   0.02  14.08) =   0.004%
        T QB    LYS+ 102 - QG    LYS+  66  17.96 +/- 3.69   0.296% *  0.5806% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU  123 - QG    LYS+  66  12.87 +/- 4.67   2.175% *  0.0479% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QG    LYS+  66  15.28 +/- 3.02   0.548% *  0.0758% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG    LEU   67  11.70 +/- 2.60   0.659% *  0.0616% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QG    LYS+  66  17.41 +/- 4.00   0.463% *  0.0706% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QG    LYS+  66  11.92 +/- 1.85   0.475% *  0.0445% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  16.79 +/- 2.84   0.184% *  0.0479% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  17.66 +/- 3.15   0.172% *  0.0447% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   8.59 +/- 1.98   1.999% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.50 +/- 0.88   1.832% *  0.0037% (0.04   1.0  1.00   0.02   0.34) =   0.000%
          HG    LEU  123 - HG    LEU   67  17.05 +/- 4.44   0.502% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  18.28 +/- 3.85   0.288% *  0.0058% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  20.13 +/- 4.07   0.339% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  17.06 +/- 3.40   0.182% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.984, support = 4.24, residual support = 114.2:
    * O T QD    LYS+  66 - QG    LYS+  66   2.10 +/- 0.03  68.392% * 79.4467% (1.00  10.0 10.00   4.23 118.02) =  95.781%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.45 +/- 1.73  15.043% * 13.4287% (0.73   1.0  1.00   4.66  29.94) =   3.561%  kept
        T QD    LYS+  66 - HG    LEU   67   6.78 +/- 1.78   6.014% *  6.1159% (0.08   1.0 10.00   4.03  14.08) =   0.648%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  13.78 +/- 3.78   0.491% *  0.6362% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU  104 - QG    LYS+  66  16.16 +/- 4.37   1.052% *  0.0546% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QG    LYS+  66  11.66 +/- 3.48   0.816% *  0.0418% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QG    LYS+  66  14.54 +/- 4.48   0.531% *  0.0546% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HG    LEU   67  11.49 +/- 3.09   1.237% *  0.0230% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QG    LYS+  66  13.88 +/- 3.13   0.521% *  0.0514% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  18.19 +/- 3.85   0.562% *  0.0450% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  11.82 +/- 2.78   0.774% *  0.0298% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  16.62 +/- 4.56   0.341% *  0.0490% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.76 +/- 1.29   1.241% *  0.0044% (0.06   1.0  1.00   0.02   0.34) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  17.39 +/- 5.12   0.904% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  12.28 +/- 3.48   1.013% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  13.53 +/- 2.36   0.473% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  15.83 +/- 4.46   0.399% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  22.25 +/- 4.68   0.196% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 3.83, residual support = 117.6:
    * O T QE    LYS+  66 - QG    LYS+  66   2.14 +/- 0.14  79.986% * 92.5373% (1.00  10.0 10.00   3.83 118.02) =  99.555%  kept
        T QE    LYS+  66 - HG    LEU   67   7.58 +/- 1.96   4.616% *  7.1236% (0.08   1.0 10.00   3.74  14.08) =   0.442%  kept
        T HB2   ASP-  76 - QG    LYS+  66  14.70 +/- 3.03   0.552% *  0.2060% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   69 - QG    LYS+  66   9.52 +/- 1.55   1.640% *  0.0286% (0.31   1.0  1.00   0.02   0.22) =   0.001%
          HB2   ASN   69 - HG    LEU   67   6.84 +/- 1.96  12.375% *  0.0022% (0.02   1.0  1.00   0.02   3.22) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  19.84 +/- 3.78   0.184% *  0.0803% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  15.76 +/- 2.45   0.318% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  17.48 +/- 3.86   0.328% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 4.43, residual support = 118.0:
    *   T HA    LYS+  66 - QD    LYS+  66   2.99 +/- 0.69  93.231% * 99.8184% (1.00 10.00   4.43 118.02) =  99.998%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  16.40 +/- 4.13   0.845% *  0.1241% (0.12 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QD    LYS+  66  13.71 +/- 5.12   2.236% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  20.57 +/- 3.61   0.979% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  20.66 +/- 3.99   0.660% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  23.89 +/- 4.18   1.053% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  25.54 +/- 6.29   0.494% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  21.98 +/- 4.37   0.502% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.97, support = 4.59, residual support = 111.9:
    * O T QB    LYS+  66 - QD    LYS+  66   2.21 +/- 0.14  78.903% * 63.5425% (1.00  10.0 10.00   4.54 118.02) =  93.101%  kept
        T QB    LYS+  65 - QD    LYS+  66   5.31 +/- 0.95  10.318% * 35.9749% (0.57   1.0 10.00   5.35  29.94) =   6.893%  kept
          HG    LEU  123 - QD    LYS+  66  13.39 +/- 4.84   2.792% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  66 - HD2   LYS+ 121  13.31 +/- 4.22   0.946% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD    LYS+  66  16.64 +/- 3.46   0.598% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QD    LYS+  66  18.32 +/- 4.20   0.511% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  66  12.51 +/- 1.86   0.662% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.11 +/- 2.61   0.367% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  18.46 +/- 4.20   0.502% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  13.94 +/- 2.00   0.388% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  17.91 +/- 3.48   0.236% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.37 +/- 0.90   1.671% *  0.0045% (0.07   1.0  1.00   0.02   2.31) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  16.83 +/- 5.68   0.515% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  15.19 +/- 5.83   0.507% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  15.42 +/- 5.89   0.457% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  16.68 +/- 2.85   0.238% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  18.77 +/- 3.44   0.202% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  18.85 +/- 2.66   0.186% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.98, support = 4.21, residual support = 113.8:
    * O T QG    LYS+  66 - QD    LYS+  66   2.10 +/- 0.03  68.055% * 65.8822% (1.00  10.0 10.00   4.23 118.02) =  95.983%  kept
        T HG    LEU   67 - QD    LYS+  66   6.78 +/- 1.78   5.928% * 24.7263% (0.38   1.0 10.00   4.03  14.08) =   3.138%  kept
          HB3   LEU   67 - QD    LYS+  66   6.20 +/- 1.13   4.593% *  8.7862% (0.95   1.0  1.00   2.82  14.08) =   0.864%  kept
          QB    ALA  110 - QD    LYS+  66  16.33 +/- 4.09   9.595% *  0.0400% (0.61   1.0  1.00   0.02   0.02) =   0.008%
          QB    ALA   61 - QD    LYS+  66   8.39 +/- 1.25   1.376% *  0.0550% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  115 - QD    LYS+  66  14.16 +/- 3.87   1.346% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T QG    LYS+  66 - HD2   LYS+ 121  13.78 +/- 3.78   0.482% *  0.0819% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    LYS+  66  11.89 +/- 2.74   1.194% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HD2   LYS+ 121  10.04 +/- 1.36   0.742% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HD2   LYS+ 121  15.31 +/- 5.78   0.589% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    LYS+  66  14.39 +/- 1.79   0.247% *  0.0623% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  17.96 +/- 5.51   1.743% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.56 +/- 4.57   0.193% *  0.0571% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  16.62 +/- 4.56   0.340% *  0.0307% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  13.93 +/- 2.08   0.289% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  23.83 +/- 5.67   0.938% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  19.59 +/- 3.02   0.106% *  0.0426% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  11.88 +/- 2.15   0.629% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  16.29 +/- 4.37   0.334% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  18.83 +/- 2.91   0.135% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.45 +/- 1.55   0.303% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  18.49 +/- 7.01   0.211% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  23.04 +/- 5.15   0.493% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  20.77 +/- 4.23   0.139% *  0.0043% (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 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 = 3.72, residual support = 118.0:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  94.129% * 99.4957% (1.00  10.0 10.00   3.72 118.02) =  99.996%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  14.35 +/- 4.44   1.098% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QD    LYS+  66   9.50 +/- 1.64   3.532% *  0.0307% (0.31   1.0  1.00   0.02   0.22) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  66  16.04 +/- 2.98   0.330% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASN   35 - QD    LYS+  66  20.12 +/- 4.13   0.207% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  21.52 +/- 3.83   0.157% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  18.30 +/- 5.30   0.405% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  24.01 +/- 6.25   0.141% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 118.0:
    *   T HA    LYS+  66 - QE    LYS+  66   4.25 +/- 0.79  71.533% * 99.7309% (1.00 10.00   4.30 118.02) =  99.982%  kept
        T HA    LYS+  66 - HB2   ASP-  76  16.51 +/- 3.77   5.257% *  0.2073% (0.21 10.00   0.02   0.02) =   0.015%
          HA1   GLY   16 - QE    LYS+  66  14.52 +/- 5.25   4.652% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HB2   ASP-  76   8.10 +/- 1.18  13.010% *  0.0032% (0.03  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QE    LYS+  66  21.14 +/- 4.38   1.632% *  0.0222% (0.22  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QE    LYS+  66  20.80 +/- 3.89   1.857% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  19.59 +/- 4.88   1.360% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  24.48 +/- 2.65   0.698% *  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 = 0.984, support = 4.49, residual support = 114.9:
    *   T QB    LYS+  66 - QE    LYS+  66   3.24 +/- 0.44  51.446% * 87.6136% (1.00 10.00   4.48 118.02) =  96.433%  kept
          QB    LYS+  65 - QE    LYS+  66   5.88 +/- 1.26  14.187% * 11.6623% (0.57  1.00   4.70  29.94) =   3.540%  kept
          HG2   PRO   93 - QE    LYS+  66  16.40 +/- 3.81   4.466% *  0.0786% (0.90  1.00   0.02   0.02) =   0.008%
          HG    LEU  123 - QE    LYS+  66  13.31 +/- 5.34   4.383% *  0.0496% (0.57  1.00   0.02   0.02) =   0.005%
        T QB    LYS+  66 - HB2   ASP-  76  14.62 +/- 2.74   0.851% *  0.1822% (0.21 10.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB2   ASP-  76  12.20 +/- 3.95  12.099% *  0.0103% (0.12  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 102 - QE    LYS+  66  18.66 +/- 4.82   1.556% *  0.0602% (0.69  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - QE    LYS+  66  18.48 +/- 4.95   1.218% *  0.0732% (0.84  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QE    LYS+  66  15.40 +/- 3.29   1.050% *  0.0829% (0.95  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QE    LYS+  66  13.21 +/- 2.08   1.090% *  0.0461% (0.53  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HB2   ASP-  76  16.15 +/- 4.27   2.055% *  0.0152% (0.17  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QE    LYS+  66  17.81 +/- 3.34   0.513% *  0.0496% (0.57  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   ASP-  76  14.61 +/- 2.50   1.378% *  0.0172% (0.20  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HB2   ASP-  76  14.78 +/- 2.41   1.177% *  0.0163% (0.19  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  18.54 +/- 4.69   1.121% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.75 +/- 4.05   0.660% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  16.93 +/- 1.77   0.538% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  22.97 +/- 4.01   0.214% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.35 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 = 0.986, support = 3.82, residual support = 115.0:
    * O T QG    LYS+  66 - QE    LYS+  66   2.14 +/- 0.14  62.724% * 65.4663% (1.00  10.0 10.00   3.83 118.02) =  97.137%  kept
        T HG    LEU   67 - QE    LYS+  66   7.58 +/- 1.96   3.637% * 24.5702% (0.38   1.0 10.00   3.74  14.08) =   2.114%  kept
          HB3   LEU   67 - QE    LYS+  66   7.02 +/- 1.47   3.340% *  9.3224% (0.95   1.0  1.00   3.01  14.08) =   0.737%  kept
          QB    ALA  110 - QE    LYS+  66  16.04 +/- 3.95   4.090% *  0.0397% (0.61   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   61 - QE    LYS+  66   8.78 +/- 1.46   1.285% *  0.0547% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - QE    LYS+  66  12.27 +/- 3.26   1.932% *  0.0319% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T QG    LYS+  66 - HB2   ASP-  76  14.70 +/- 3.03   0.440% *  0.1361% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HB2   ASP-  76   7.16 +/- 2.13   4.209% *  0.0088% (0.13   1.0  1.00   0.02   1.60) =   0.001%
          HB2   LEU   80 - HB2   ASP-  76   6.01 +/- 1.57  12.605% *  0.0024% (0.04   1.0  1.00   0.02   1.60) =   0.001%
          HB3   LEU  115 - QE    LYS+  66  14.01 +/- 3.60   0.640% *  0.0319% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  21.79 +/- 5.28   0.318% *  0.0568% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  15.09 +/- 2.04   0.222% *  0.0619% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  15.76 +/- 2.45   0.251% *  0.0511% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  11.29 +/- 2.80   0.990% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  14.68 +/- 2.51   0.281% *  0.0344% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  11.33 +/- 1.53   0.702% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.30 +/- 4.21   1.154% *  0.0072% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  19.88 +/- 3.47   0.110% *  0.0424% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  15.64 +/- 2.03   0.230% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  21.39 +/- 5.17   0.197% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  19.12 +/- 3.37   0.142% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  16.79 +/- 2.53   0.185% *  0.0083% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  16.72 +/- 2.08   0.163% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  17.48 +/- 1.92   0.152% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 3.72, residual support = 117.2:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  78.828% * 85.5853% (1.00  10.0 10.00   3.72 118.02) =  99.017%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.26 +/- 1.84   5.057% * 13.0354% (0.73   1.0  1.00   4.19  29.94) =   0.967%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  14.35 +/- 4.44   0.923% *  0.6853% (0.80   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU  104 - QE    LYS+  66  17.03 +/- 5.27   2.447% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  66 - HB2   ASP-  76  16.04 +/- 2.98   0.275% *  0.1779% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HB2   ASP-  76   6.84 +/- 1.65   4.101% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QE    LYS+  66  15.18 +/- 4.95   0.563% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  13.54 +/- 4.27   2.217% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  13.52 +/- 3.55   0.537% *  0.0450% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  15.05 +/- 3.32   0.429% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  13.69 +/- 2.90   0.651% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  21.52 +/- 3.83   0.130% *  0.1425% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  19.08 +/- 3.81   0.319% *  0.0485% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.46 +/- 1.11   2.267% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  12.06 +/- 2.96   0.795% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  19.12 +/- 3.78   0.172% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  21.95 +/- 4.10   0.172% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  20.61 +/- 3.10   0.116% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.1:
    * O T HB2   PRO   68 - HA    PRO   68   2.63 +/- 0.19  97.702% * 98.6006% (0.84  10.0 10.00   2.00  36.08) =  99.986%  kept
        T HB    VAL   24 - HA    PRO   68  20.83 +/- 5.15   1.064% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.013%
          QB    GLN   32 - HA    PRO   68  17.56 +/- 3.36   0.726% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    PRO   68  18.83 +/- 4.81   0.508% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.1:
    * O T HA    PRO   68 - HB2   PRO   68   2.63 +/- 0.19  98.923% * 99.1920% (0.84  10.0 10.00   2.00  36.08) =  99.991%  kept
        T HA    PRO   68 - HB    VAL   24  20.83 +/- 5.15   1.077% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.009%
    Distance limit 3.46 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   2.59 +/- 0.15  94.197% * 99.7955% (1.00  10.0 10.00   3.63  60.89) =  99.998%  kept
          QE    LYS+  66 - HA    ASN   69   9.99 +/- 1.93   2.912% *  0.0308% (0.31   1.0  1.00   0.02   0.22) =   0.001%
          HB2   ASP-  76 - HA    ASN   69  19.52 +/- 3.15   0.408% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   69  13.52 +/- 3.58   2.237% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  23.29 +/- 3.92   0.246% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 60.9:
    * O T HB3   ASN   69 - HA    ASN   69   2.88 +/- 0.27  95.098% * 99.7714% (1.00  10.0 10.00   3.31  60.89) =  99.996%  kept
          HB2   PHE   72 - HA    ASN   69  10.24 +/- 1.02   2.527% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    ASN   69  13.18 +/- 2.53   1.946% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QB    CYS   50 - HA    ASN   69  19.63 +/- 3.16   0.428% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.59 +/- 0.15  99.200% * 99.8126% (1.00  10.0 10.00   3.63  60.89) =  99.999%  kept
          HA    VAL   43 - HB2   ASN   69  14.65 +/- 1.37   0.596% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB2   ASN   69  21.67 +/- 2.29   0.204% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 60.9:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.249% * 99.7714% (1.00  10.0 10.00   3.97  60.89) =  99.999%  kept
          HB2   PHE   72 - HB2   ASN   69  11.34 +/- 0.75   0.384% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  14.17 +/- 2.50   0.277% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  19.97 +/- 3.24   0.089% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 60.9:
    * O T HA    ASN   69 - HB3   ASN   69   2.88 +/- 0.27  98.603% * 99.8126% (1.00  10.0 10.00   3.31  60.89) =  99.999%  kept
          HA    VAL   43 - HB3   ASN   69  14.01 +/- 1.70   1.097% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB3   ASN   69  21.36 +/- 2.13   0.301% *  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 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  94.260% * 99.7955% (1.00  10.0 10.00   3.97  60.89) =  99.998%  kept
          QE    LYS+  66 - HB3   ASN   69   9.90 +/- 2.45   5.191% *  0.0308% (0.31   1.0  1.00   0.02   0.22) =   0.002%
          HB2   ASP-  76 - HB3   ASN   69  20.10 +/- 2.44   0.079% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  14.29 +/- 3.20   0.420% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  23.72 +/- 3.27   0.050% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.999, support = 4.31, residual support = 81.8:
    * O T HB    VAL   70 - HA    VAL   70   2.96 +/- 0.09  75.488% * 97.2460% (1.00  10.0 10.00   4.31  81.84) =  99.946%  kept
        T QG    GLN   17 - HA    VAL   70  10.52 +/- 3.73   3.245% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.043%
        T QG    GLN   17 - HB2   SER   82  22.18 +/- 4.99   0.297% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HA    SER   48  18.39 +/- 3.45   0.523% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB2   SER   82  22.33 +/- 2.67   0.204% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLN   17 - HA    SER   48  20.29 +/- 4.92   0.429% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    VAL   70  13.94 +/- 2.37   0.896% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  18.70 +/- 8.82   1.482% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48  11.29 +/- 4.52   8.078% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    VAL   70  11.41 +/- 1.71   1.966% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   SER   82  14.51 +/- 2.14   0.956% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70  14.78 +/- 5.64   1.133% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.27 +/- 2.28   2.653% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  19.80 +/- 2.11   0.299% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  15.51 +/- 2.56   0.891% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  17.16 +/- 1.76   0.463% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  22.93 +/- 4.95   0.359% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  23.62 +/- 3.90   0.250% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  27.35 +/- 4.59   0.125% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  27.30 +/- 4.05   0.132% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  28.56 +/- 4.57   0.132% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.994, support = 4.81, residual support = 78.1:
    * O T QG1   VAL   70 - HA    VAL   70   2.58 +/- 0.27  64.284% * 78.9927% (1.00  10.0 10.00   4.79  81.84) =  92.191%  kept
          QD1   LEU   71 - HA    VAL   70   4.74 +/- 1.17  22.937% * 18.6337% (0.92   1.0  1.00   5.11  34.13) =   7.759%  kept
        T QG1   VAL   18 - HA    VAL   70   9.74 +/- 3.90   2.543% *  0.7743% (0.98   1.0 10.00   0.02   0.02) =   0.036%
        T QG1   VAL   18 - HB2   SER   82  17.05 +/- 5.42   0.437% *  0.3752% (0.47   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   18 - HA    SER   48  14.81 +/- 4.51   0.736% *  0.1764% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   70  14.37 +/- 4.01   1.547% *  0.0729% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   70 - HB2   SER   82  19.35 +/- 2.28   0.196% *  0.3828% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   70   9.43 +/- 1.17   1.540% *  0.0447% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   70 - HA    SER   48  15.99 +/- 2.90   0.370% *  0.1800% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  123 - HA    SER   48  18.57 +/- 3.02   0.246% *  0.1661% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   70  14.93 +/- 3.96   0.621% *  0.0479% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    SER   48  14.88 +/- 4.20   2.822% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    SER   48  18.61 +/- 4.00   0.773% *  0.0166% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  20.25 +/- 3.51   0.211% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  23.98 +/- 3.87   0.191% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  22.90 +/- 3.74   0.140% *  0.0232% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  21.85 +/- 2.94   0.141% *  0.0217% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  23.46 +/- 4.60   0.264% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.8:
    * O T QG2   VAL   70 - HA    VAL   70   2.26 +/- 0.18  99.138% * 99.2926% (0.80  10.0 10.00   4.00  81.84) =  99.997%  kept
        T QG2   VAL   70 - HA    SER   48  15.38 +/- 2.96   0.628% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   70 - HB2   SER   82  18.01 +/- 2.57   0.235% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.31, residual support = 81.5:
    * O T HA    VAL   70 - HB    VAL   70   2.96 +/- 0.09  50.580% * 95.2009% (1.00  10.0 10.00   4.31  81.84) =  99.134%  kept
          HA    VAL   18 - QG    GLN   17   5.16 +/- 0.79  12.886% *  2.7203% (0.13   1.0  1.00   4.48  50.34) =   0.722%  kept
          HA1   GLY   16 - QG    GLN   17   5.22 +/- 0.70  11.427% *  0.5038% (0.04   1.0  1.00   2.88  17.69) =   0.119%  kept
        T HA    VAL   70 - QG    GLN   17  10.52 +/- 3.73   2.117% *  0.1768% (0.19   1.0 10.00   0.02   0.02) =   0.008%
          HA    VAL   18 - HB    VAL   70   9.27 +/- 4.41   5.233% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.007%
        T HA    SER   48 - HB    VAL   70  18.39 +/- 3.45   0.335% *  0.2374% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - HB    VAL   70  22.33 +/- 2.67   0.138% *  0.5774% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HB    VAL   70  11.02 +/- 5.56   3.300% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QG    GLN   17  12.87 +/- 4.18   7.215% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB    VAL   70  11.45 +/- 1.77   1.241% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   70  14.99 +/- 2.29   0.554% *  0.0826% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG    GLN   17  14.12 +/- 3.39   2.499% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB    VAL   70  16.98 +/- 2.62   0.346% *  0.0952% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    VAL   70  16.38 +/- 2.53   0.428% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   SER   82 - QG    GLN   17  22.18 +/- 4.99   0.193% *  0.1073% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  14.68 +/- 3.66   1.064% *  0.0128% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  20.29 +/- 4.92   0.271% *  0.0441% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  20.56 +/- 2.40   0.172% *  0.0177% (0.19   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 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 5.2, residual support = 81.1:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  68.946% * 77.1836% (1.00  10.0 10.00   5.20  81.84) =  98.406%  kept
          QD1   LEU   71 - HB    VAL   70   6.62 +/- 0.99   3.259% * 19.2796% (0.92   1.0  1.00   5.41  34.13) =   1.162%  kept
          QG1   VAL   18 - QG    GLN   17   5.23 +/- 0.84   7.232% *  3.1128% (0.18   1.0  1.00   4.43  50.34) =   0.416%  kept
        T QG1   VAL   70 - QG    GLN   17   9.22 +/- 2.48   1.748% *  0.1434% (0.19   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - HB    VAL   70   8.76 +/- 3.70   2.904% *  0.0757% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - QG    GLN   17   8.91 +/- 4.54  10.366% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HB    VAL   70   6.85 +/- 1.00   2.519% *  0.0437% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB    VAL   70  12.90 +/- 3.87   1.457% *  0.0712% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HB    VAL   70  14.44 +/- 3.49   0.340% *  0.0468% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  12.17 +/- 2.12   0.698% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  15.46 +/- 3.68   0.322% *  0.0132% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  18.62 +/- 4.27   0.208% *  0.0087% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.8:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  97.648% * 99.8146% (0.80  10.0 10.00   4.31  81.84) =  99.996%  kept
        T QG2   VAL   70 - QG    GLN   17   8.91 +/- 2.68   2.352% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 3.02 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 = 81.8:
    * O T HA    VAL   70 - QG1   VAL   70   2.58 +/- 0.27  75.644% * 98.1637% (1.00  10.0 10.00   4.79  81.84) =  99.936%  kept
        T HA    VAL   18 - QG1   VAL   70   8.75 +/- 3.38   5.797% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.053%
          HA1   GLY   16 - QG1   VAL   70   9.51 +/- 4.66  12.970% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   SER   82 - QG1   VAL   70  19.35 +/- 2.28   0.229% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HA    SER   48 - QG1   VAL   70  15.99 +/- 2.90   0.472% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QG1   VAL   70   9.45 +/- 1.55   2.213% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   70  12.62 +/- 2.03   1.045% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   70  14.29 +/- 2.80   0.812% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   70  14.03 +/- 2.46   0.817% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 81.8:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  93.925% * 98.7774% (1.00  10.0 10.00   5.20  81.84) =  99.973%  kept
        T QG    GLN   17 - QG1   VAL   70   9.22 +/- 2.48   2.362% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.025%
          HB2   MET   96 - QG1   VAL   70  10.88 +/- 2.41   1.203% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QG1   VAL   70  17.02 +/- 2.64   0.301% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70  12.86 +/- 4.40   0.865% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  10.92 +/- 1.68   0.963% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  13.93 +/- 1.35   0.382% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.79, residual support = 81.8:
    * O T QG2   VAL   70 - QG1   VAL   70   2.06 +/- 0.05 100.000% *100.0000% (0.80  10.0 10.00   4.79  81.84) = 100.000%  kept
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 3.99, residual support = 81.7:
    * O T HA    VAL   70 - QG2   VAL   70   2.26 +/- 0.18  79.749% * 97.3173% (0.54  10.0 10.00   4.00  81.84) =  99.834%  kept
          HA    VAL   18 - QG2   VAL   70   7.75 +/- 3.47   8.002% *  1.5308% (0.37   1.0  1.00   0.46   0.02) =   0.158%  kept
          HA1   GLY   16 - QG2   VAL   70   9.29 +/- 4.19   6.817% *  0.0193% (0.11   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QG2   VAL   70   8.43 +/- 1.33   2.580% *  0.0474% (0.26   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - QG2   VAL   70  15.38 +/- 2.96   0.490% *  0.2427% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - QG2   VAL   70  18.01 +/- 2.57   0.188% *  0.5903% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG2   VAL   70  11.35 +/- 1.84   1.014% *  0.0844% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   70  12.68 +/- 2.07   0.728% *  0.0707% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   70  14.42 +/- 2.28   0.432% *  0.0973% (0.54   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 81.8:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  93.484% * 98.7774% (0.54  10.0 10.00   4.31  81.84) =  99.974%  kept
        T QG    GLN   17 - QG2   VAL   70   8.91 +/- 2.68   2.252% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.024%
          HB2   MET   96 - QG2   VAL   70   9.68 +/- 2.00   1.425% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   VAL   70  11.84 +/- 4.01   0.927% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  15.79 +/- 1.99   0.283% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.12 +/- 1.35   1.165% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  12.88 +/- 1.34   0.464% *  0.0246% (0.13   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 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.535, support = 4.81, residual support = 80.6:
    * O T QG1   VAL   70 - QG2   VAL   70   2.06 +/- 0.05  81.995% * 77.4985% (0.54  10.0 10.00   4.79  81.84) =  97.498%  kept
          QD1   LEU   71 - QG2   VAL   70   5.19 +/- 0.85   7.535% * 20.6383% (0.50   1.0  1.00   5.77  34.13) =   2.386%  kept
          QG1   VAL   18 - QG2   VAL   70   7.41 +/- 2.87   4.259% *  1.7008% (0.53   1.0  1.00   0.45   0.02) =   0.111%  kept
          HB3   LEU   63 - QG2   VAL   70   6.51 +/- 1.20   3.589% *  0.0439% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QG2   VAL   70  11.14 +/- 3.47   1.744% *  0.0715% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - QG2   VAL   70  11.09 +/- 3.15   0.878% *  0.0470% (0.33   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 139.2:
    * O T HB2   LEU   71 - HA    LEU   71   2.81 +/- 0.24  80.318% * 99.5520% (1.00  10.0 10.00   5.31 139.24) =  99.985%  kept
          HB3   GLN   17 - HA    LEU   71   9.56 +/- 5.13   6.271% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  65 - HA    LEU   71   9.11 +/- 1.67   3.711% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - HA    LEU   71   9.64 +/- 1.65   3.622% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    LEU   71   9.06 +/- 2.22   4.737% *  0.0340% (0.34   1.0  1.00   0.02   2.75) =   0.002%
          QB    LYS+ 102 - HA    LEU   71  17.00 +/- 2.30   0.448% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LEU   71  19.70 +/- 3.09   0.358% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  16.35 +/- 2.61   0.536% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.25 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 = 139.2:
    * O T HB3   LEU   71 - HA    LEU   71   2.45 +/- 0.23  98.300% * 99.6783% (1.00  10.0 10.00   4.31 139.24) =  99.999%  kept
          QG2   THR   94 - HA    LEU   71  14.19 +/- 2.16   0.804% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HA    LEU   71  21.39 +/- 3.79   0.240% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  22.07 +/- 4.17   0.244% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  19.23 +/- 2.73   0.286% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  25.49 +/- 3.96   0.126% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 4.2, residual support = 130.2:
    *   T QD1   LEU   71 - HA    LEU   71   3.69 +/- 0.42  53.901% * 81.1853% (1.00 10.00   4.16 139.24) =  91.523%  kept
          QG1   VAL   70 - HA    LEU   71   5.30 +/- 0.65  21.841% * 18.0164% (0.92  1.00   4.81  34.13) =   8.230%  kept
          QG1   VAL   18 - HA    LEU   71   8.06 +/- 5.09  18.625% *  0.6216% (0.84  1.00   0.18   0.02) =   0.242%  kept
          QD1   LEU  123 - HA    LEU   71  15.03 +/- 3.41   1.535% *  0.0812% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HA    LEU   71  10.16 +/- 1.49   3.420% *  0.0277% (0.34  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HA    LEU   71  16.70 +/- 2.53   0.678% *  0.0678% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 4.04 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 = 0.997, support = 4.97, residual support = 138.4:
    *   T QD2   LEU   71 - HA    LEU   71   2.54 +/- 0.62  68.695% * 97.9293% (1.00 10.00   5.00 139.24) =  99.378%  kept
          QD1   LEU   67 - HA    LEU   71   5.70 +/- 1.76  24.166% *  1.7268% (0.45  1.00   0.79   0.02) =   0.616%  kept
          QD2   LEU   40 - HA    LEU   71   7.21 +/- 1.16   3.928% *  0.0403% (0.41  1.00   0.02   1.56) =   0.002%
          HG3   LYS+  74 - HA    LEU   71  11.34 +/- 1.96   1.395% *  0.0673% (0.69  1.00   0.02   0.19) =   0.001%
          QG2   ILE  119 - HA    LEU   71  14.61 +/- 2.55   0.813% *  0.0849% (0.87  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HA    LEU   71  15.09 +/- 2.12   0.470% *  0.0960% (0.98  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    LEU   71  14.44 +/- 1.79   0.533% *  0.0554% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.30 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 = 139.2:
    * O T HA    LEU   71 - HB2   LEU   71   2.81 +/- 0.24  94.765% * 99.9402% (1.00  10.0 10.00   5.31 139.24) =  99.998%  kept
          HA    ALA   20 - HB2   LEU   71  12.62 +/- 3.51   2.023% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - HB2   LEU   71  10.66 +/- 2.23   3.213% *  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 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 = 139.2:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.503% * 99.6783% (1.00  10.0 10.00   4.97 139.24) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  15.06 +/- 2.25   0.212% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  22.74 +/- 4.05   0.083% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  23.38 +/- 4.17   0.073% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  20.09 +/- 3.00   0.086% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  26.53 +/- 4.01   0.042% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 5.09, residual support = 137.1:
    * O T QD1   LEU   71 - HB2   LEU   71   2.29 +/- 0.19  80.461% * 79.4064% (1.00  10.0 10.00   5.08 139.24) =  98.036%  kept
          QG1   VAL   70 - HB2   LEU   71   6.04 +/- 0.67   6.085% * 19.8128% (0.92   1.0  1.00   5.41  34.13) =   1.850%  kept
          QG1   VAL   18 - HB2   LEU   71   9.51 +/- 4.94  12.117% *  0.6080% (0.84   1.0  1.00   0.18   0.02) =   0.113%  kept
          QD1   LEU  123 - HB2   LEU   71  15.93 +/- 3.53   0.418% *  0.0794% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB2   LEU   71  16.64 +/- 3.38   0.293% *  0.0663% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  12.02 +/- 1.36   0.626% *  0.0271% (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 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.41, residual support = 138.6:
    * O T QD2   LEU   71 - HB2   LEU   71   3.04 +/- 0.31  73.015% * 96.7622% (1.00  10.0 10.00   5.43 139.24) =  99.520%  kept
          QD1   LEU   67 - HB2   LEU   71   7.35 +/- 1.54  10.988% *  1.7062% (0.45   1.0  1.00   0.79   0.02) =   0.264%  kept
          QD2   LEU   40 - HB2   LEU   71   6.77 +/- 1.49  12.197% *  1.2315% (0.41   1.0  1.00   0.62   1.56) =   0.212%  kept
          QD1   ILE  103 - HB2   LEU   71  15.09 +/- 2.88   0.899% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB2   LEU   71  13.32 +/- 1.67   1.226% *  0.0665% (0.69   1.0  1.00   0.02   0.19) =   0.001%
          QG2   ILE  119 - HB2   LEU   71  15.66 +/- 2.58   0.765% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB2   LEU   71  14.57 +/- 2.53   0.911% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.2:
    * O T HA    LEU   71 - HB3   LEU   71   2.45 +/- 0.23  96.204% * 99.9402% (1.00  10.0 10.00   4.31 139.24) =  99.999%  kept
          HA    ALA   20 - HB3   LEU   71  11.95 +/- 3.75   1.649% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - HB3   LEU   71  10.74 +/- 2.38   2.148% *  0.0223% (0.22   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 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.2:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  94.375% * 99.3538% (1.00  10.0 10.00   4.97 139.24) =  99.996%  kept
          HB3   GLN   17 - HB3   LEU   71  10.14 +/- 5.54   1.882% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB3   LEU   71  10.84 +/- 2.10   0.765% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB3   LEU   71   9.04 +/- 2.65   2.083% *  0.0339% (0.34   1.0  1.00   0.02   2.75) =   0.001%
        T HG12  ILE  103 - HB3   LEU   71  16.76 +/- 3.33   0.150% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.41 +/- 1.85   0.519% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  17.07 +/- 3.10   0.131% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  21.17 +/- 3.38   0.094% *  0.0796% (0.80   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 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 = 136.9:
    * O T QD1   LEU   71 - HB3   LEU   71   2.59 +/- 0.40  73.852% * 81.1600% (1.00  10.0 10.00   3.85 139.24) =  97.876%  kept
          QG1   VAL   70 - HB3   LEU   71   6.55 +/- 0.65   6.592% * 18.0419% (0.92   1.0  1.00   4.82  34.13) =   1.942%  kept
          QG1   VAL   18 - HB3   LEU   71   9.09 +/- 5.21  17.781% *  0.6214% (0.84   1.0  1.00   0.18   0.02) =   0.180%  kept
          QD1   LEU  123 - HB3   LEU   71  16.22 +/- 3.45   0.519% *  0.0812% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU   71  17.32 +/- 2.96   0.372% *  0.0678% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  12.18 +/- 1.49   0.884% *  0.0277% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.43, residual support = 139.0:
    * O T QD2   LEU   71 - HB3   LEU   71   2.61 +/- 0.33  82.989% * 97.9293% (1.00  10.0 10.00   4.43 139.24) =  99.817%  kept
          QD1   LEU   67 - HB3   LEU   71   7.43 +/- 1.61   8.361% *  1.7268% (0.45   1.0  1.00   0.79   0.02) =   0.177%  kept
          QD2   LEU   40 - HB3   LEU   71   7.58 +/- 1.42   5.919% *  0.0403% (0.41   1.0  1.00   0.02   1.56) =   0.003%
          HG3   LYS+  74 - HB3   LEU   71  12.79 +/- 1.68   0.966% *  0.0673% (0.69   1.0  1.00   0.02   0.19) =   0.001%
          QD1   ILE  103 - HB3   LEU   71  15.41 +/- 2.70   0.578% *  0.0960% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB3   LEU   71  15.91 +/- 2.65   0.583% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB3   LEU   71  14.97 +/- 2.39   0.604% *  0.0554% (0.57   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 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 139.2:
    *   T HA    LEU   71 - QD1   LEU   71   3.69 +/- 0.42  89.129% * 99.9402% (1.00 10.00   4.16 139.24) =  99.996%  kept
          HA    ALA   20 - QD1   LEU   71  11.60 +/- 3.31   4.852% *  0.0375% (0.38  1.00   0.02   0.02) =   0.002%
          HA    VAL   43 - QD1   LEU   71  10.32 +/- 1.85   6.020% *  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 = 5.08, residual support = 139.2:
    * O T HB2   LEU   71 - QD1   LEU   71   2.29 +/- 0.19  82.680% * 99.5520% (1.00  10.0 10.00   5.08 139.24) =  99.989%  kept
          HB3   GLN   17 - QD1   LEU   71   9.52 +/- 4.79   5.877% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL   41 - QD1   LEU   71   8.18 +/- 2.22   7.669% *  0.0340% (0.34   1.0  1.00   0.02   2.75) =   0.003%
          QB    LYS+  65 - QD1   LEU   71  10.31 +/- 1.69   1.299% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QD1   LEU   71  10.45 +/- 1.51   1.130% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD1   LEU   71  14.49 +/- 3.17   0.547% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD1   LEU   71  18.86 +/- 2.84   0.268% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  14.68 +/- 3.12   0.530% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.85, residual support = 139.2:
    * O T HB3   LEU   71 - QD1   LEU   71   2.59 +/- 0.40  97.705% * 99.6783% (1.00  10.0 10.00   3.85 139.24) =  99.998%  kept
          QG2   THR   94 - QD1   LEU   71  13.73 +/- 1.95   0.926% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD1   LEU   71  20.26 +/- 3.85   0.445% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  20.77 +/- 3.80   0.337% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  18.09 +/- 2.72   0.391% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  23.48 +/- 3.54   0.196% *  0.0447% (0.45   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 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.28, residual support = 139.0:
    * O T QD2   LEU   71 - QD1   LEU   71   2.03 +/- 0.07  87.803% * 97.8374% (1.00  10.0 10.00   4.28 139.24) =  99.847%  kept
          QD2   LEU   40 - QD1   LEU   71   6.47 +/- 1.55   7.116% *  1.8154% (0.41   1.0  1.00   0.90   1.56) =   0.150%  kept
          QD1   LEU   67 - QD1   LEU   71   7.17 +/- 1.27   3.368% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - QD1   LEU   71  13.42 +/- 2.49   0.439% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  13.95 +/- 2.36   0.377% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  12.29 +/- 1.46   0.467% *  0.0672% (0.69   1.0  1.00   0.02   0.19) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  13.09 +/- 2.28   0.430% *  0.0554% (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 = 139.2:
    *   T HA    LEU   71 - QD2   LEU   71   2.54 +/- 0.62  93.154% * 99.9402% (1.00 10.00   5.00 139.24) =  99.998%  kept
          HA    ALA   20 - QD2   LEU   71  10.28 +/- 3.13   2.857% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - QD2   LEU   71   9.35 +/- 2.27   3.989% *  0.0223% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.07 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 139.2:
    * O T HB2   LEU   71 - QD2   LEU   71   3.04 +/- 0.31  66.836% * 99.3538% (1.00  10.0 10.00   5.43 139.24) =  99.967%  kept
          HB3   GLN   17 - QD2   LEU   71   8.17 +/- 4.96  15.853% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.015%
          QB    LYS+  65 - QD2   LEU   71   9.14 +/- 1.59   4.182% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HB    VAL   41 - QD2   LEU   71   8.18 +/- 2.45   7.698% *  0.0339% (0.34   1.0  1.00   0.02   2.75) =   0.004%
        T HG12  ILE  103 - QD2   LEU   71  14.50 +/- 2.81   0.892% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - QD2   LEU   71   9.54 +/- 1.44   3.283% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 102 - QD2   LEU   71  14.70 +/- 2.81   0.815% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD2   LEU   71  18.02 +/- 2.69   0.441% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.55 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 = 139.2:
    * O T HB3   LEU   71 - QD2   LEU   71   2.61 +/- 0.33  97.262% * 99.2790% (1.00  10.0 10.00   4.43 139.24) =  99.997%  kept
        T HG3   LYS+ 111 - QD2   LEU   71  22.75 +/- 3.45   0.235% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - QD2   LEU   71  13.00 +/- 2.03   1.119% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD2   LEU   71  19.38 +/- 3.40   0.417% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  19.89 +/- 3.77   0.461% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  17.30 +/- 2.76   0.506% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.11 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.29, residual support = 137.5:
    * O T QD1   LEU   71 - QD2   LEU   71   2.03 +/- 0.07  84.547% * 81.1643% (1.00  10.0 10.00   4.28 139.24) =  98.343%  kept
          QG1   VAL   70 - QD2   LEU   71   5.23 +/- 0.86   6.147% * 18.0376% (0.92   1.0  1.00   4.81  34.13) =   1.589%  kept
          QG1   VAL   18 - QD2   LEU   71   7.68 +/- 4.39   7.539% *  0.6215% (0.84   1.0  1.00   0.18   0.02) =   0.067%
          QD1   LEU  123 - QD2   LEU   71  13.70 +/- 3.21   0.687% *  0.0812% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU   71  10.15 +/- 1.27   0.783% *  0.0277% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  14.86 +/- 2.80   0.297% *  0.0678% (0.84   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 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 3.97, residual support = 89.8:
    * O T HB2   PHE   72 - HA    PHE   72   2.60 +/- 0.13  91.541% * 93.4216% (0.64  10.0 10.00   3.98  90.02) =  99.464%  kept
          HA    ALA   64 - HA    PHE   72   6.91 +/- 0.96   7.046% *  6.5364% (0.55   1.0  1.00   1.61  46.90) =   0.536%  kept
          HB3   ASN   69 - HA    PHE   72  10.81 +/- 0.71   1.413% *  0.0420% (0.29   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.53, residual support = 89.8:
    * O T HB3   PHE   72 - HA    PHE   72   2.59 +/- 0.20  84.897% * 97.5860% (0.66  10.0 10.00   4.54  90.02) =  99.779%  kept
          HB2   ASP-  44 - HA    PHE   72   8.11 +/- 2.27   9.144% *  1.9507% (0.72   1.0  1.00   0.37   0.02) =   0.215%  kept
          QG    GLU-  15 - HA    PHE   72  11.48 +/- 4.30   2.206% *  0.1115% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - HA    PHE   72  11.54 +/- 2.62   1.573% *  0.1039% (0.71   1.0  1.00   0.02   0.02) =   0.002%
          QB    MET   11 - HA    PHE   72  18.47 +/- 3.13   0.340% *  0.0901% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  16.05 +/- 2.34   0.508% *  0.0504% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  18.40 +/- 2.09   0.272% *  0.0901% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  12.21 +/- 2.37   1.060% *  0.0174% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 3.98, residual support = 90.0:
    * O T HA    PHE   72 - HB2   PHE   72   2.60 +/- 0.13 100.000% *100.0000% (0.64  10.0 10.00   3.98  90.02) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.724, support = 4.21, residual support = 90.0:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  94.415% * 99.4196% (0.72  10.0 10.00   4.21  90.02) =  99.994%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.70 +/- 1.85   4.030% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - HB2   PHE   72  12.26 +/- 3.38   0.437% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HB2   PHE   72  12.27 +/- 2.27   0.396% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  14.95 +/- 2.19   0.200% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  17.51 +/- 1.65   0.104% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  19.23 +/- 2.92   0.102% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.09 +/- 2.07   0.317% *  0.0177% (0.13   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 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.54, residual support = 90.0:
    * O T HA    PHE   72 - HB3   PHE   72   2.59 +/- 0.20 100.000% *100.0000% (0.66  10.0 10.00   4.54  90.02) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 4.2, residual support = 89.6:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  93.173% * 88.1568% (0.72  10.0 10.00   4.21  90.02) =  99.119%  kept
          HA    ALA   64 - HB3   PHE   72   5.66 +/- 1.13   6.183% * 11.8036% (0.63   1.0  1.00   3.08  46.90) =   0.881%  kept
          HB3   ASN   69 - HB3   PHE   72   9.68 +/- 1.09   0.644% *  0.0396% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.9:
    * O T HB2   LEU   73 - HA    LEU   73   2.41 +/- 0.20  95.631% * 99.4108% (1.00  10.0 10.00   5.00 171.94) =  99.997%  kept
          QD    LYS+  99 - HA    LEU   73  14.82 +/- 2.93   0.657% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LEU   73  15.90 +/- 2.44   0.553% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LEU   73  17.81 +/- 2.75   0.351% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  13.16 +/- 2.18   0.984% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  17.17 +/- 2.69   0.393% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.08 +/- 4.00   0.291% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.52 +/- 3.64   0.446% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  23.89 +/- 4.38   0.179% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  16.13 +/- 2.79   0.514% *  0.0221% (0.22   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 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 0.995, support = 5.23, residual support = 170.6:
    * O T HB3   LEU   73 - HA    LEU   73   2.70 +/- 0.29  72.154% * 92.0806% (1.00  10.0 10.00   5.25 171.94) =  99.066%  kept
          HB3   LYS+  74 - HA    LEU   73   5.06 +/- 0.56  12.426% *  3.3783% (0.18   1.0  1.00   4.19  42.18) =   0.626%  kept
          HB    VAL   42 - HA    LEU   73   7.98 +/- 1.72   5.164% *  3.8805% (0.99   1.0  1.00   0.85   1.04) =   0.299%  kept
          HG3   LYS+  65 - HA    LEU   73  10.35 +/- 2.10   2.218% *  0.0913% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HA    LEU   73  10.99 +/- 1.99   1.487% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LEU   73  15.82 +/- 3.67   0.903% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LEU   73  11.93 +/- 2.78   1.382% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LEU   73  16.37 +/- 2.55   0.409% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LEU   73  19.84 +/- 4.12   0.352% *  0.0903% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  13.10 +/- 3.25   1.115% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  20.02 +/- 3.88   0.271% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  13.67 +/- 1.97   0.661% *  0.0314% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  15.13 +/- 2.61   0.589% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.47 +/- 4.30   0.603% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.49 +/- 3.75   0.266% *  0.0161% (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 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.18, residual support = 168.6:
    *   T QD1   LEU   73 - HA    LEU   73   3.72 +/- 0.34  65.719% * 85.6486% (1.00 10.00   5.27 171.94) =  98.067%  kept
        T QD1   LEU   63 - HA    LEU   73   9.31 +/- 2.06   7.675% * 12.9865% (1.00 10.00   0.30   0.14) =   1.737%  kept
          QD2   LEU   63 - HA    LEU   73   8.80 +/- 1.68  12.940% *  0.7249% (0.57  1.00   0.30   0.14) =   0.163%  kept
        T QD1   LEU  104 - HA    LEU   73  13.10 +/- 3.17   2.760% *  0.4849% (0.57 10.00   0.02   0.02) =   0.023%
          QD2   LEU   80 - HA    LEU   73  11.14 +/- 3.44   5.147% *  0.0686% (0.80  1.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HA    LEU   73  13.88 +/- 2.63   2.029% *  0.0715% (0.84  1.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HA    LEU   73  11.33 +/- 2.64   3.730% *  0.0150% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.18, residual support = 171.7:
    *   T QD2   LEU   73 - HA    LEU   73   3.00 +/- 0.56  74.989% * 97.9742% (1.00 10.00   6.19 171.94) =  99.858%  kept
          QG1   VAL   43 - HA    LEU   73   7.63 +/- 2.76  12.807% *  0.4638% (0.28  1.00   0.34   3.58) =   0.081%
          HG    LEU   31 - HA    LEU   73   9.41 +/- 1.44   3.418% *  1.0959% (0.97  1.00   0.23   1.82) =   0.051%
        T HG3   LYS+ 121 - HA    LEU   73  18.94 +/- 4.15   1.162% *  0.3342% (0.34 10.00   0.02   0.02) =   0.005%
          QG1   VAL   41 - HA    LEU   73   8.48 +/- 1.98   6.001% *  0.0439% (0.45  1.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - HA    LEU   73  13.20 +/- 2.25   1.623% *  0.0879% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 2.98 A violated in 0 structures by 0.25 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 171.9:
    * O T HA    LEU   73 - HB2   LEU   73   2.41 +/- 0.20 100.000% *100.0000% (1.00  10.0 10.00   5.00 171.94) = 100.000%  kept
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.25, residual support = 171.7:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  91.039% * 92.3264% (1.00  10.0 10.00   5.25 171.94) =  99.821%  kept
          HB3   LYS+  74 - HB2   LEU   73   5.28 +/- 0.74   4.021% *  3.3862% (0.18   1.0  1.00   4.19  42.18) =   0.162%  kept
        T HG3   LYS+  33 - HB2   LEU   73  10.73 +/- 2.03   0.537% *  0.8910% (0.97   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  65 - HB2   LEU   73  11.52 +/- 2.31   0.511% *  0.9151% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 106 - HB2   LEU   73  16.39 +/- 3.06   0.173% *  0.8523% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HB2   LEU   73   8.85 +/- 1.93   1.343% *  0.0915% (0.99   1.0  1.00   0.02   1.04) =   0.001%
        T HG3   LYS+ 102 - HB2   LEU   73  19.98 +/- 4.48   0.125% *  0.9212% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   93 - HB2   LEU   73  15.33 +/- 2.69   0.200% *  0.3465% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HB2   LEU   73  12.01 +/- 3.16   0.535% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  16.42 +/- 3.37   0.183% *  0.0597% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  13.16 +/- 3.61   0.449% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  20.14 +/- 4.31   0.103% *  0.0905% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  13.30 +/- 1.98   0.249% *  0.0315% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  18.83 +/- 5.24   0.428% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  19.99 +/- 4.46   0.104% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 171.3:
    * O T QD1   LEU   73 - HB2   LEU   73   2.47 +/- 0.41  85.060% * 86.2319% (1.00  10.0 10.00   5.26 171.94) =  99.614%  kept
        T QD1   LEU   63 - HB2   LEU   73  10.21 +/- 2.13   2.062% * 13.0749% (1.00   1.0 10.00   0.30   0.14) =   0.366%  kept
        T QD1   LEU  104 - HB2   LEU   73  13.42 +/- 3.64   1.718% *  0.4882% (0.57   1.0 10.00   0.02   0.02) =   0.011%
          QD2   LEU   80 - HB2   LEU   73  10.38 +/- 3.98   4.598% *  0.0690% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB2   LEU   73   9.73 +/- 1.83   3.347% *  0.0488% (0.57   1.0  1.00   0.02   0.14) =   0.002%
          QD2   LEU  115 - HB2   LEU   73  14.15 +/- 3.40   1.049% *  0.0720% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU   73  10.77 +/- 2.88   2.166% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.16, residual support = 171.1:
    * O T QD2   LEU   73 - HB2   LEU   73   2.91 +/- 0.35  70.202% * 96.8472% (1.00  10.0 10.00   6.19 171.94) =  99.477%  kept
          QG1   VAL   43 - HB2   LEU   73   7.69 +/- 3.02  18.545% *  1.8170% (0.28   1.0  1.00   1.35   3.58) =   0.493%  kept
        T QD1   ILE   56 - HB2   LEU   73  13.53 +/- 2.68   1.449% *  0.8686% (0.90   1.0 10.00   0.02   0.02) =   0.018%
          HG    LEU   31 - HB2   LEU   73   8.73 +/- 1.75   3.806% *  0.0935% (0.97   1.0  1.00   0.02   1.82) =   0.005%
          QG1   VAL   41 - HB2   LEU   73   8.77 +/- 2.23   5.340% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB2   LEU   73  19.29 +/- 5.15   0.659% *  0.3304% (0.34   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 3.33 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 = 171.9:
    * O T HA    LEU   73 - HB3   LEU   73   2.70 +/- 0.29 100.000% *100.0000% (1.00  10.0 10.00   5.25 171.94) = 100.000%  kept
    Distance limit 3.85 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 = 171.9:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  98.239% * 98.2609% (1.00  10.0 10.00   5.25 171.94) =  99.998%  kept
        T QD    LYS+ 102 - HB3   LEU   73  17.85 +/- 4.21   0.184% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU   73  23.76 +/- 4.24   0.058% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HB3   LEU   73  14.67 +/- 3.18   0.269% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  15.27 +/- 2.99   0.232% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.52 +/- 2.59   0.446% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  17.59 +/- 2.38   0.119% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  17.11 +/- 2.31   0.133% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  20.72 +/- 4.55   0.106% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  15.82 +/- 3.31   0.214% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 1.0, support = 5.39, residual support = 170.1:
    * O T QD1   LEU   73 - HB3   LEU   73   2.46 +/- 0.34  82.743% * 85.6993% (1.00  10.0 10.00   5.45 171.94) =  98.912%  kept
        T QD1   LEU   63 - HB3   LEU   73  10.16 +/- 2.07   5.726% * 12.9941% (1.00   1.0 10.00   0.30   0.14) =   1.038%  kept
        T QD2   LEU   80 - HB3   LEU   73  10.08 +/- 4.20   3.560% *  0.6862% (0.80   1.0 10.00   0.02   0.02) =   0.034%
        T QD1   LEU  104 - HB3   LEU   73  12.89 +/- 3.85   1.779% *  0.4852% (0.57   1.0 10.00   0.02   0.02) =   0.012%
          QD2   LEU   63 - HB3   LEU   73   9.61 +/- 1.74   3.074% *  0.0485% (0.57   1.0  1.00   0.02   0.14) =   0.002%
          QD2   LEU  115 - HB3   LEU   73  14.10 +/- 3.17   1.218% *  0.0716% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU   73  10.32 +/- 3.00   1.898% *  0.0150% (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 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.988, support = 6.56, residual support = 169.2:
    * O T QD2   LEU   73 - HB3   LEU   73   2.75 +/- 0.39  66.358% * 94.8557% (1.00  10.0 10.00   6.67 171.94) =  98.371%  kept
        T QG1   VAL   43 - HB3   LEU   73   6.96 +/- 3.09  22.401% *  4.6016% (0.28   1.0 10.00   0.35   3.58) =   1.611%  kept
          HG    LEU   31 - HB3   LEU   73   8.31 +/- 1.89   5.211% *  0.0915% (0.97   1.0  1.00   0.02   1.82) =   0.007%
        T HG3   LYS+ 121 - HB3   LEU   73  18.96 +/- 5.05   1.389% *  0.3236% (0.34   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   41 - HB3   LEU   73   8.24 +/- 1.87   3.826% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB3   LEU   73  13.59 +/- 2.35   0.816% *  0.0851% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 168.3:
    *   T HA    LEU   73 - QD1   LEU   73   3.72 +/- 0.34  84.381% * 86.6497% (1.00 10.00   5.27 171.94) =  97.862%  kept
        T HA    LEU   73 - QD1   LEU   63   9.31 +/- 2.06  12.103% * 13.1382% (1.00 10.00   0.30   0.14) =   2.128%  kept
        T HA    LEU   73 - QD1   LEU  104  13.10 +/- 3.17   3.516% *  0.2121% (0.24 10.00   0.02   0.02) =   0.010%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (1.70, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.951, support = 5.08, residual support = 163.7:
    * O T HB2   LEU   73 - QD1   LEU   73   2.47 +/- 0.41  32.787% * 90.8405% (1.00  10.0 10.00   5.26 171.94) =  94.607%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.97 +/- 1.53  27.641% *  4.9377% (0.05   1.0 10.00   1.99  18.82) =   4.335%  kept
          QD    LYS+  99 - QD1   LEU  104   3.73 +/- 1.71  16.585% *  1.9079% (0.23   1.0  1.00   1.86  18.82) =   1.005%  kept
        T HB2   LEU   73 - QD1   LEU   63  10.21 +/- 2.13   0.723% *  0.9084% (1.00   1.0 10.00   0.02   0.14) =   0.021%
          QG1   ILE   56 - QD1   LEU   63   5.91 +/- 1.67   6.402% *  0.0280% (0.31   1.0  1.00   0.02   0.02) =   0.006%
        T HB2   LEU   73 - QD1   LEU  104  13.42 +/- 3.64   0.796% *  0.2224% (0.24   1.0 10.00   0.02   0.02) =   0.006%
          HG3   PRO   93 - QD1   LEU   63  11.08 +/- 3.49   1.812% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - QD1   LEU   63  15.47 +/- 4.02   0.880% *  0.0815% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD1   LEU   63  12.29 +/- 3.10   0.775% *  0.0877% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   LEU   63  11.71 +/- 3.00   0.695% *  0.0859% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - QD1   LEU   63  12.02 +/- 2.53   0.816% *  0.0588% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - QD1   LEU   73  11.65 +/- 2.98   1.637% *  0.0280% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   73  11.93 +/- 2.58   0.417% *  0.0839% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   63  12.20 +/- 3.29   0.416% *  0.0839% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU   73  12.82 +/- 2.48   0.380% *  0.0859% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  104   8.12 +/- 0.81   1.168% *  0.0210% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  104   6.63 +/- 1.05   2.608% *  0.0091% (0.10   1.0  1.00   0.02   0.39) =   0.001%
          QD    LYS+ 102 - QD1   LEU   73  14.49 +/- 3.74   0.596% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD1   LEU   73  17.64 +/- 4.59   0.276% *  0.0588% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   73  15.40 +/- 2.19   0.166% *  0.0877% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  15.00 +/- 2.38   0.197% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  12.89 +/- 2.94   0.420% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  13.37 +/- 3.16   0.373% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  20.16 +/- 3.88   0.086% *  0.0815% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  15.78 +/- 2.04   0.175% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  14.45 +/- 5.16   0.438% *  0.0144% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.73 +/- 1.55   0.123% *  0.0215% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  18.68 +/- 2.83   0.123% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.24 +/- 2.47   0.333% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  16.81 +/- 1.88   0.155% *  0.0135% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 0.993, support = 5.37, residual support = 168.4:
    * O T HB3   LEU   73 - QD1   LEU   73   2.46 +/- 0.34  34.359% * 77.8160% (1.00  10.0 10.00   5.45 171.94) =  97.776%  kept
        T HB3   LEU   73 - QD1   LEU   63  10.16 +/- 2.07   1.950% * 11.7988% (1.00   1.0 10.00   0.30   0.14) =   0.841%  kept
          HB    VAL   42 - QD1   LEU   73   7.48 +/- 1.85   3.249% *  4.6553% (0.99   1.0  1.00   1.21   1.04) =   0.553%  kept
          HB3   LYS+  74 - QD1   LEU   73   5.74 +/- 0.79   4.850% *  2.8083% (0.18   1.0  1.00   4.12  42.18) =   0.498%  kept
          QB    LEU   98 - QD1   LEU  104   4.97 +/- 0.75   5.529% *  1.0896% (0.09   1.0  1.00   3.05   9.76) =   0.220%  kept
          HG    LEU   98 - QD1   LEU  104   6.23 +/- 0.79   2.779% *  0.2871% (0.06   1.0  1.00   1.21   9.76) =   0.029%
          HB2   LYS+ 112 - QD1   LEU   63  11.37 +/- 3.59   8.696% *  0.0763% (0.98   1.0  1.00   0.02   0.02) =   0.024%
          HB    VAL   42 - QD1   LEU   63   7.35 +/- 2.65   6.532% *  0.0771% (0.99   1.0  1.00   0.02   0.02) =   0.018%
          HG3   LYS+  65 - QD1   LEU   63   7.53 +/- 1.59   2.112% *  0.0771% (0.99   1.0  1.00   0.02   3.44) =   0.006%
        T HB3   LEU   73 - QD1   LEU  104  12.89 +/- 3.85   0.705% *  0.1905% (0.24   1.0 10.00   0.02   0.02) =   0.005%
          HG3   LYS+  33 - QD1   LEU   73   8.12 +/- 2.10   1.422% *  0.0751% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - QD1   LEU   73  10.98 +/- 2.09   0.868% *  0.0771% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD1   LEU   73   9.21 +/- 3.07   2.131% *  0.0292% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD1   LEU   63  11.89 +/- 3.40   0.773% *  0.0718% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QD1   LEU  104   8.44 +/- 3.91   2.919% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD1   LEU   63   9.39 +/- 3.27   1.564% *  0.0292% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QD1   LEU  104   7.07 +/- 1.10   2.154% *  0.0190% (0.24   1.0  1.00   0.02   0.39) =   0.001%
          HG3   LYS+  33 - QD1   LEU   63  14.46 +/- 3.37   0.389% *  0.0751% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   LEU   73  15.55 +/- 4.90   2.320% *  0.0120% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   73  10.11 +/- 3.34   1.424% *  0.0194% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU   73  13.16 +/- 2.77   0.359% *  0.0718% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU  104   7.48 +/- 0.85   1.407% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU   73  15.60 +/- 4.10   0.299% *  0.0776% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   63  10.99 +/- 2.47   0.593% *  0.0292% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   73  14.23 +/- 2.73   0.305% *  0.0503% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QD1   LEU   73  17.27 +/- 3.77   0.199% *  0.0763% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   63   9.77 +/- 2.30   1.109% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  11.11 +/- 2.11   0.539% *  0.0265% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   73  13.31 +/- 2.31   0.379% *  0.0292% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  12.09 +/- 3.05   0.552% *  0.0194% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63  11.72 +/- 3.45   0.887% *  0.0120% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.45 +/- 1.97   0.379% *  0.0265% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  17.25 +/- 2.16   0.123% *  0.0776% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   9.83 +/- 6.71   3.165% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  16.91 +/- 2.65   0.159% *  0.0503% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  15.51 +/- 3.45   0.390% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  14.46 +/- 3.68   0.306% *  0.0184% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  12.97 +/- 2.18   0.298% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.76 +/- 4.54   0.292% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  13.71 +/- 2.19   0.387% *  0.0065% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.93 +/- 4.02   0.183% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.50 +/- 1.77   0.112% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  13.43 +/- 5.07   0.446% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.34 +/- 1.77   0.170% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  14.78 +/- 2.99   0.239% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 6.33, residual support = 166.7:
    * O T QD2   LEU   73 - QD1   LEU   73   2.05 +/- 0.05  48.459% * 69.6863% (1.00  10.0 10.00   6.48 171.94) =  96.949%  kept
          HG    LEU   31 - QD1   LEU   73   5.63 +/- 2.57   8.043% *  7.7064% (0.97   1.0  1.00   2.29   1.82) =   1.779%  kept
        T QD2   LEU   73 - QD1   LEU   63   7.90 +/- 1.71   1.649% * 20.0692% (1.00   1.0 10.00   0.58   0.14) =   0.950%  kept
          QG1   VAL   43 - QD1   LEU   73   6.03 +/- 2.86   9.414% *  0.8844% (0.28   1.0  1.00   0.91   3.58) =   0.239%  kept
        T QG1   VAL   41 - QD1   LEU   73   6.63 +/- 2.13   2.953% *  0.3124% (0.45   1.0 10.00   0.02   0.02) =   0.026%
        T QG1   VAL   41 - QD1   LEU   63   9.82 +/- 2.20   1.480% *  0.3124% (0.45   1.0 10.00   0.02   0.02) =   0.013%
          QD1   ILE   56 - QD1   LEU   63   6.02 +/- 1.93   4.426% *  0.0625% (0.90   1.0  1.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 121 - QD1   LEU   73  15.97 +/- 4.80   1.086% *  0.2377% (0.34   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 121 - QD1   LEU  104   9.69 +/- 6.61   4.265% *  0.0582% (0.08   1.0 10.00   0.02   0.02) =   0.007%
        T QG1   VAL   41 - QD1   LEU  104   7.62 +/- 3.31   2.433% *  0.0765% (0.11   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU   73 - QD1   LEU  104   9.96 +/- 2.86   1.046% *  0.1706% (0.24   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 121 - QD1   LEU   63  12.18 +/- 3.30   0.539% *  0.2377% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   31 - QD1   LEU   63  12.42 +/- 3.96   0.922% *  0.0673% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - QD1   LEU   73  11.67 +/- 2.78   0.937% *  0.0625% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QD1   LEU  104   7.95 +/- 2.44  10.190% *  0.0047% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QD1   LEU   63   8.18 +/- 2.09   1.409% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU  104  12.58 +/- 3.69   0.524% *  0.0165% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.18 +/- 2.19   0.224% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 171.9:
    *   T HA    LEU   73 - QD2   LEU   73   3.00 +/- 0.56  98.256% * 99.6602% (1.00 10.00   6.19 171.94) =  99.994%  kept
        T HA    LEU   73 - HG3   LYS+ 121  18.94 +/- 4.15   1.744% *  0.3398% (0.34 10.00   0.02   0.02) =   0.006%
    Distance limit 3.16 A violated in 0 structures by 0.12 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 6.18, residual support = 171.6:
    * O T HB2   LEU   73 - QD2   LEU   73   2.91 +/- 0.35  69.269% * 95.1702% (1.00  10.0 10.00   6.19 171.94) =  99.800%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.74 +/- 0.90   2.832% *  3.4154% (0.22   1.0 10.00   0.33   2.31) =   0.146%  kept
        T QG1   ILE   56 - QD2   LEU   73  10.95 +/- 2.46   7.956% *  0.2937% (0.31   1.0 10.00   0.02   0.02) =   0.035%
          QD    LYS+  99 - QD2   LEU   73  11.25 +/- 2.57   3.073% *  0.0879% (0.92   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LEU   73 - HG3   LYS+ 121  19.29 +/- 5.15   0.703% *  0.3245% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - QD2   LEU   73  12.51 +/- 1.88   1.284% *  0.0900% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+ 121  12.59 +/- 1.03   1.118% *  0.1002% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QD2   LEU   73  14.91 +/- 2.35   0.719% *  0.0918% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   LYS+ 121  13.15 +/- 6.26   2.159% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD2   LEU   73  14.36 +/- 2.63   1.026% *  0.0577% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD2   LEU   73  16.84 +/- 3.94   0.850% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG3   LYS+ 121  12.13 +/- 4.60   1.698% *  0.0307% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU   73  14.36 +/- 3.08   1.108% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD2   LEU   73  12.24 +/- 2.50   1.813% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU   73  19.70 +/- 3.36   0.369% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  15.60 +/- 6.84   1.321% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  13.89 +/- 7.37   1.843% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  18.42 +/- 2.00   0.296% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  20.53 +/- 2.58   0.234% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.77 +/- 2.89   0.329% *  0.0197% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.94, support = 6.52, residual support = 175.5:
    * O T HB3   LEU   73 - QD2   LEU   73   2.75 +/- 0.39  31.057% * 84.6489% (1.00  10.0 10.00   6.67 171.94) =  91.740%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.61 +/- 0.31  35.824% *  4.4538% (0.05  10.0 10.00   5.98 313.76) =   5.568%  kept
          HB    VAL   42 - QD2   LEU   73   5.95 +/- 1.97   9.570% *  5.6598% (0.99   1.0  1.00   1.35   1.04) =   1.890%  kept
          HB3   LYS+  74 - QD2   LEU   73   5.66 +/- 0.82   5.550% *  3.9876% (0.18   1.0  1.00   5.38  42.18) =   0.772%  kept
          HG3   LYS+  33 - QD2   LEU   73   8.13 +/- 1.94   2.140% *  0.0817% (0.97   1.0  1.00   0.02   0.02) =   0.006%
        T HD3   LYS+ 121 - QD2   LEU   73  14.94 +/- 4.20   1.042% *  0.1306% (0.15   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LEU   73 - HG3   LYS+ 121  18.96 +/- 5.05   0.355% *  0.2887% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QB    LEU   98 - QD2   LEU   73   8.89 +/- 2.68   2.721% *  0.0318% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QD2   LEU   73   9.86 +/- 1.57   0.879% *  0.0839% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HG3   LYS+ 121  13.83 +/- 5.43   2.294% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD2   LEU   73  12.74 +/- 2.02   0.350% *  0.0781% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD2   LEU   73  13.81 +/- 3.00   0.457% *  0.0548% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   73   9.81 +/- 2.82   1.166% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD2   LEU   73  15.43 +/- 3.27   0.243% *  0.0845% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   73  11.25 +/- 2.26   0.690% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 121  12.24 +/- 5.57   0.745% *  0.0266% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD2   LEU   73  12.61 +/- 2.55   0.581% *  0.0318% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QD2   LEU   73  16.59 +/- 3.25   0.201% *  0.0830% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   LYS+ 121  18.24 +/- 3.19   0.311% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  17.41 +/- 7.89   0.292% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  13.50 +/- 5.67   0.650% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  22.56 +/- 6.45   0.234% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  19.10 +/- 3.64   0.525% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.29 +/- 0.69   0.911% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.37 +/- 0.68   0.156% *  0.0283% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  16.27 +/- 3.49   0.248% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  15.46 +/- 6.26   0.469% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.29 +/- 2.96   0.164% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  26.55 +/- 4.83   0.051% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  20.74 +/- 4.37   0.123% *  0.0051% (0.06   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 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.42, residual support = 170.2:
    * O T QD1   LEU   73 - QD2   LEU   73   2.05 +/- 0.05  64.978% * 75.6896% (1.00  10.0 10.00   6.48 171.94) =  99.015%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.90 +/- 1.71   1.939% * 21.7981% (1.00   1.0 10.00   0.58   0.14) =   0.851%  kept
          QD2   LEU   63 - QD2   LEU   73   7.49 +/- 1.43   3.233% *  1.2229% (0.57   1.0  1.00   0.57   0.14) =   0.080%
        T QD1   LEU  104 - QD2   LEU   73   9.96 +/- 2.86   2.048% *  0.4285% (0.57   1.0 10.00   0.02   0.02) =   0.018%
        T QD1   LEU  104 - HG3   LYS+ 121   9.69 +/- 6.61   5.480% *  0.1461% (0.19   1.0 10.00   0.02   0.02) =   0.016%
        T QD1   LEU   73 - HG3   LYS+ 121  15.97 +/- 4.80   1.381% *  0.2581% (0.34   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - QD2   LEU   73   9.16 +/- 4.11   4.280% *  0.0606% (0.80   1.0  1.00   0.02   0.02) =   0.005%
        T QD1   LEU   63 - HG3   LYS+ 121  12.18 +/- 3.30   0.705% *  0.2581% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   80 - HG3   LYS+ 121  20.78 +/- 4.99   3.048% *  0.0207% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU   73  11.54 +/- 2.37   0.736% *  0.0632% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HG3   LYS+ 121  18.51 +/- 5.56   8.519% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU   73   9.03 +/- 3.04   2.067% *  0.0133% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HG3   LYS+ 121   9.74 +/- 0.80   0.667% *  0.0216% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121  11.67 +/- 3.68   0.918% *  0.0146% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.8:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.70 +/- 0.26  76.432% * 99.4757% (0.64  10.0 10.00   6.31 186.80) =  99.984%  kept
          HG2   LYS+  65 - HA    LYS+  74   9.15 +/- 3.11   9.998% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.007%
          QG2   THR   26 - HA    LYS+  74   9.04 +/- 1.91   3.147% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   67 - HA    LYS+  74  10.25 +/- 2.71   6.004% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    LYS+  74  13.55 +/- 2.20   1.084% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - HA    LYS+  74  16.30 +/- 2.29   0.515% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  74  11.80 +/- 2.01   1.447% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.60 +/- 2.21   0.350% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.24 +/- 3.27   0.511% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  15.62 +/- 1.69   0.511% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.8:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.59 +/- 0.52  87.864% * 99.1206% (0.80  10.0 10.00   6.28 186.80) =  99.989%  kept
          HG13  ILE   19 - HA    LYS+  74   8.87 +/- 3.24   4.385% *  0.0915% (0.74   1.0  1.00   0.02   8.14) =   0.005%
          HG    LEU   71 - HA    LYS+  74  11.47 +/- 1.18   1.769% *  0.0989% (0.80   1.0  1.00   0.02   0.19) =   0.002%
          QG2   THR   39 - HA    LYS+  74  11.92 +/- 1.90   1.865% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - HA    LYS+  74  21.55 +/- 3.45   0.249% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  74  14.89 +/- 2.22   0.709% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  14.46 +/- 2.58   0.950% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  17.99 +/- 2.27   0.420% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  12.00 +/- 2.04   1.444% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  19.44 +/- 2.36   0.345% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.08 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.778, support = 5.55, residual support = 180.4:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.47 +/- 0.47  52.963% * 92.2640% (0.80  10.0 10.00   5.57 186.80) =  95.875%  kept
          HB    VAL   75 - HA    LYS+  74   4.35 +/- 0.24  28.502% *  7.3274% (0.25   1.0  1.00   5.15  31.94) =   4.098%  kept
          QD1   LEU   67 - HA    LYS+  74   7.67 +/- 1.97   7.110% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.012%
          QD2   LEU   40 - HA    LYS+  74  10.80 +/- 1.93   3.078% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   71 - HA    LYS+  74   8.99 +/- 1.06   3.441% *  0.0634% (0.55   1.0  1.00   0.02   0.19) =   0.004%
          QG2   ILE  103 - HA    LYS+  74  13.65 +/- 1.96   1.761% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  103 - HA    LYS+  74  13.99 +/- 2.73   1.986% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HA    LYS+  74  13.80 +/- 2.29   1.160% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.30 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.7:
    *   T HD2   LYS+  74 - HA    LYS+  74   3.12 +/- 0.59  71.713% * 99.2156% (0.80 10.00   5.91 186.80) =  99.973%  kept
          QD    LYS+  65 - HA    LYS+  74   9.09 +/- 3.11  18.968% *  0.0562% (0.45  1.00   0.02   0.02) =   0.015%
          QB    ALA   57 - HA    LYS+  74  11.63 +/- 2.73   3.747% *  0.0861% (0.69  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HA    LYS+  74  17.48 +/- 2.19   0.703% *  0.3384% (0.27 10.00   0.02   0.02) =   0.003%
          HB    VAL   83 - HA    LYS+  74  12.05 +/- 2.73   2.018% *  0.0483% (0.39  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HA    LYS+  74  12.87 +/- 1.67   1.374% *  0.0562% (0.45  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  74  18.03 +/- 3.02   0.695% *  0.0602% (0.49  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LYS+  74  23.16 +/- 3.65   0.380% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  20.76 +/- 3.70   0.402% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 186.8:
    *   T QE    LYS+  74 - HA    LYS+  74   3.11 +/- 0.47  82.963% * 99.7560% (0.80 10.00   4.93 186.80) =  99.991%  kept
          HB2   PHE   72 - HA    LYS+  74   6.24 +/- 0.45  12.331% *  0.0308% (0.25  1.00   0.02   0.82) =   0.005%
          QB    CYS   50 - HA    LYS+  74  12.83 +/- 2.47   1.620% *  0.0995% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HA    LYS+  74  14.51 +/- 1.94   1.218% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    LYS+  74  11.58 +/- 0.71   1.869% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 2.86 A violated in 0 structures by 0.38 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.8:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.70 +/- 0.26  98.431% * 99.8966% (0.64  10.0 10.00   6.31 186.80) =  99.999%  kept
          HA    THR   94 - HB2   LYS+  74  14.34 +/- 1.99   0.869% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LYS+  74  16.17 +/- 3.42   0.700% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.84, residual support = 186.5:
    * O T HG2   LYS+  74 - HB2   LYS+  74   2.96 +/- 0.11  84.839% * 97.4595% (0.80  10.0 10.00   5.85 186.80) =  99.836%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.93 +/- 3.89   7.374% *  1.7658% (0.74   1.0  1.00   0.39   8.14) =   0.157%  kept
          HG    LEU   71 - HB2   LYS+  74  11.75 +/- 1.94   1.883% *  0.0972% (0.80   1.0  1.00   0.02   0.19) =   0.002%
          QG2   THR   39 - HB2   LYS+  74  12.43 +/- 2.28   1.569% *  0.0591% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - HB2   LYS+  74  22.94 +/- 3.37   0.250% *  0.3658% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB2   LYS+  74  19.04 +/- 3.32   0.827% *  0.0972% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  74  15.82 +/- 2.31   0.653% *  0.0591% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  15.56 +/- 3.00   0.767% *  0.0437% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  13.23 +/- 2.55   1.537% *  0.0193% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  20.12 +/- 2.16   0.301% *  0.0332% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.796, support = 5.26, residual support = 185.5:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.73 +/- 0.16  75.497% * 90.4822% (0.80  10.0 10.00   5.27 186.80) =  99.212%  kept
          HB    VAL   75 - HB2   LYS+  74   6.44 +/- 0.38   6.113% *  6.4465% (0.25   1.0  1.00   4.62  31.94) =   0.572%  kept
          QD2   LEU   71 - HB2   LYS+  74   9.10 +/- 1.66   5.584% *  1.2507% (0.55   1.0  1.00   0.40   0.19) =   0.101%  kept
        T QD1   LEU   67 - HB2   LYS+  74   8.81 +/- 2.39   7.590% *  0.8353% (0.74   1.0 10.00   0.02   0.02) =   0.092%
        T QD2   LEU   40 - HB2   LYS+  74  11.96 +/- 2.21   1.605% *  0.8115% (0.72   1.0 10.00   0.02   0.02) =   0.019%
          QD1   ILE  103 - HB2   LYS+  74  14.89 +/- 3.47   2.014% *  0.0512% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB2   LYS+  74  14.74 +/- 2.68   0.953% *  0.0887% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  74  15.05 +/- 2.69   0.643% *  0.0340% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 6.31, residual support = 186.7:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.35 +/- 0.35  86.272% * 97.4681% (0.80  10.0 10.00   6.31 186.80) =  99.935%  kept
        T QD    LYS+  65 - HB2   LYS+  74   9.89 +/- 3.41   8.845% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.058%
          QB    ALA   57 - HB2   LYS+  74  12.50 +/- 3.41   2.130% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.60 +/- 3.71   0.238% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HB2   LYS+  74  24.50 +/- 3.64   0.108% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+  74  18.13 +/- 2.07   0.243% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HB2   LYS+  74  12.55 +/- 2.97   1.259% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HB2   LYS+  74  13.00 +/- 1.95   0.719% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  22.11 +/- 4.46   0.186% *  0.0552% (0.45   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 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 186.8:
    *   T QE    LYS+  74 - HB2   LYS+  74   3.12 +/- 0.75  84.304% * 99.7560% (0.80 10.00   4.62 186.80) =  99.992%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.60 +/- 0.98   9.856% *  0.0308% (0.25  1.00   0.02   0.82) =   0.004%
          QB    CYS   50 - HB2   LYS+  74  13.64 +/- 2.73   2.093% *  0.0995% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HB2   LYS+  74  15.48 +/- 2.43   1.408% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   LYS+  74  11.79 +/- 1.06   2.340% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.8:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.59 +/- 0.52  86.240% * 99.7790% (0.80  10.0 10.00   6.28 186.80) =  99.998%  kept
          HA    THR   94 - HG3   LYS+ 111  10.46 +/- 2.46   9.377% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   94 - HG2   LYS+  74  13.24 +/- 2.20   0.802% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  74 - HG3   LYS+ 111  21.55 +/- 3.45   0.236% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  14.96 +/- 3.67   0.669% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  11.56 +/- 3.56   2.676% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 186.8:
    * O T HB2   LYS+  74 - HG2   LYS+  74   2.96 +/- 0.11  62.415% * 99.3145% (0.80  10.0 10.00   5.85 186.80) =  99.974%  kept
          HG2   LYS+  65 - HG2   LYS+  74   9.54 +/- 3.77  14.437% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.013%
          QG2   THR   26 - HG2   LYS+  74   9.82 +/- 2.44   4.763% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   67 - HG2   LYS+  74  11.36 +/- 3.34   7.421% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   40 - HG2   LYS+  74  15.19 +/- 2.54   0.674% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HG2   LYS+  74  16.81 +/- 2.18   0.433% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HG3   LYS+ 111   8.93 +/- 1.53   3.196% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  18.23 +/- 2.59   0.337% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  22.94 +/- 3.37   0.189% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  13.40 +/- 2.28   0.882% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.22 +/- 3.32   0.306% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  16.22 +/- 1.98   0.486% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  13.49 +/- 0.98   0.685% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   9.15 +/- 1.05   2.464% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  17.31 +/- 2.11   0.376% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  25.04 +/- 2.86   0.122% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  23.89 +/- 4.52   0.339% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  24.38 +/- 3.28   0.147% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  23.00 +/- 2.55   0.172% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  23.53 +/- 2.73   0.156% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.09 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 4.54, residual support = 186.4:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  82.079% * 92.8682% (1.00  10.0 10.00   4.54 186.80) =  99.725%  kept
          HB    VAL   75 - HG2   LYS+  74   5.55 +/- 0.67   3.054% *  6.5129% (0.31   1.0  1.00   4.54  31.94) =   0.260%  kept
          QD1   LEU   67 - HG2   LYS+  74   8.51 +/- 2.69  11.871% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.013%
          QD2   LEU   71 - HG2   LYS+  74  10.19 +/- 1.79   0.847% *  0.0638% (0.69   1.0  1.00   0.02   0.19) =   0.001%
          QD2   LEU   40 - HG2   LYS+  74  12.10 +/- 2.05   0.344% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.24 +/- 2.24   0.285% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.48 +/- 3.23   0.391% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.46 +/- 2.78   0.218% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  22.42 +/- 3.68   0.057% *  0.0993% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  22.75 +/- 3.45   0.052% *  0.0682% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  18.80 +/- 3.78   0.178% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  15.36 +/- 2.04   0.152% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  13.17 +/- 1.05   0.208% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  19.36 +/- 2.22   0.072% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  17.16 +/- 1.94   0.102% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  19.35 +/- 3.36   0.091% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.919, support = 5.52, residual support = 197.9:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.78 +/- 0.19  40.967% * 89.4618% (1.00  10.0 10.00   5.54 186.80) =  91.063%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.70 +/- 0.29  44.505% *  7.9861% (0.09  10.0 10.00   5.40 315.14) =   8.831%  kept
        T QD    LYS+  65 - HG2   LYS+  74   9.44 +/- 3.60   7.065% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.089%
        T QD    LYS+  33 - HG2   LYS+  74  14.23 +/- 1.90   0.389% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          HB    VAL   83 - HG2   LYS+  74  11.79 +/- 2.70   3.511% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   57 - HG2   LYS+  74  12.06 +/- 3.75   1.564% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HG2   LYS+  74  23.28 +/- 4.05   0.125% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HG2   LYS+  74  18.88 +/- 2.56   0.205% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HG3   LYS+ 111  22.44 +/- 3.85   0.132% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.98 +/- 3.41   0.189% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.59 +/- 4.33   0.132% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.06 +/- 2.45   0.121% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  13.65 +/- 2.09   0.539% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.04 +/- 4.01   0.058% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  29.07 +/- 3.23   0.041% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.77 +/- 1.52   0.211% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.05 +/- 3.32   0.141% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.42 +/- 1.31   0.105% *  0.0054% (0.06   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 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.8:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.68 +/- 0.61  86.953% * 99.6238% (1.00  10.0 10.00   4.54 186.80) =  99.993%  kept
          HB2   PHE   72 - HG2   LYS+  74   8.09 +/- 0.76   5.345% *  0.0307% (0.31   1.0  1.00   0.02   0.82) =   0.002%
          QB    CYS   50 - HG2   LYS+  74  12.72 +/- 3.39   1.480% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HG2   LYS+  74  15.64 +/- 2.91   1.440% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG2   LYS+  74  10.32 +/- 1.16   2.688% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  74 - HG3   LYS+ 111  19.63 +/- 3.78   0.335% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  14.00 +/- 2.16   0.981% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  26.81 +/- 4.81   0.262% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  21.96 +/- 4.66   0.271% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  22.45 +/- 3.13   0.245% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 186.8:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.47 +/- 0.47  96.594% * 99.8966% (0.80  10.0 10.00   5.57 186.80) =  99.998%  kept
          HA    THR   94 - HG3   LYS+  74  14.18 +/- 2.14   1.783% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HG3   LYS+  74  15.62 +/- 3.80   1.624% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 186.8:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.73 +/- 0.16  72.680% * 98.5261% (0.80  10.0 10.00   5.27 186.80) =  99.975%  kept
          HG2   LYS+  65 - HG3   LYS+  74  10.05 +/- 4.02   9.395% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.007%
          QG2   THR   26 - HG3   LYS+  74   9.53 +/- 2.50   6.579% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.006%
        T HG    LEU  115 - HG3   LYS+  74  17.59 +/- 2.45   0.352% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   67 - HG3   LYS+  74  12.30 +/- 3.61   8.375% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - HG3   LYS+  74  14.44 +/- 2.46   0.938% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - HG3   LYS+  74  16.19 +/- 2.70   0.707% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG3   LYS+  74  18.90 +/- 3.01   0.283% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.14 +/- 3.70   0.314% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  17.05 +/- 2.27   0.378% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.54, residual support = 186.7:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  86.905% * 98.8350% (1.00  10.0 10.00   4.54 186.80) =  99.948%  kept
          HG13  ILE   19 - HG3   LYS+  74  10.43 +/- 3.50  11.520% *  0.3793% (0.92   1.0  1.00   0.08   8.14) =   0.051%
          HG    LEU   71 - HG3   LYS+  74  13.63 +/- 2.02   0.266% *  0.0986% (1.00   1.0  1.00   0.02   0.19) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  22.42 +/- 3.68   0.061% *  0.3709% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  19.85 +/- 3.39   0.137% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.87 +/- 2.07   0.220% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  12.97 +/- 3.05   0.503% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  15.36 +/- 2.49   0.161% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  15.37 +/- 2.87   0.171% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  21.74 +/- 2.75   0.055% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.92 +/- 0.09  78.031% * 99.2156% (1.00  10.0 10.00   4.97 186.80) =  99.980%  kept
          QB    ALA   57 - HG3   LYS+  74  12.37 +/- 4.26   7.374% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.008%
          QD    LYS+  65 - HG3   LYS+  74   9.84 +/- 3.89   8.704% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.006%
          HB    VAL   83 - HG3   LYS+  74  12.40 +/- 2.80   3.847% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HG3   LYS+  74  19.56 +/- 2.54   0.329% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HG3   LYS+  74  14.34 +/- 1.94   0.795% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG3   LYS+  74  19.90 +/- 3.90   0.368% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.31 +/- 4.81   0.328% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  23.98 +/- 4.01   0.222% *  0.0829% (0.84   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 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 186.8:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.85 +/- 0.45  91.577% * 99.7560% (1.00  10.0 10.00   4.00 186.80) =  99.995%  kept
          QB    CYS   50 - HG3   LYS+  74  13.03 +/- 3.72   2.258% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HG3   LYS+  74   9.07 +/- 1.11   3.132% *  0.0308% (0.31   1.0  1.00   0.02   0.82) =   0.001%
          HB3   ASP-  78 - HG3   LYS+  74  10.39 +/- 1.16   2.435% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HG3   LYS+  74  16.62 +/- 2.83   0.598% *  0.0762% (0.76   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 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.8:
    *   T HA    LYS+  74 - HD2   LYS+  74   3.12 +/- 0.59  95.133% * 99.6012% (0.80 10.00   5.91 186.80) =  99.996%  kept
        T HA    LYS+  74 - QD    LYS+  38  17.48 +/- 2.19   0.947% *  0.2184% (0.18 10.00   0.02   0.02) =   0.002%
          HA    THR   94 - HD2   LYS+  74  14.08 +/- 2.43   1.570% *  0.0754% (0.61  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HD2   LYS+  74  15.64 +/- 4.04   1.613% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  25.64 +/- 3.27   0.372% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.91 +/- 1.83   0.365% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 6.31, residual support = 186.7:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.35 +/- 0.35  80.098% * 98.0482% (0.80  10.0 10.00   6.31 186.80) =  99.959%  kept
        T HG2   LYS+  65 - HD2   LYS+  74   9.41 +/- 3.93   4.669% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.033%
          QG2   THR   26 - HD2   LYS+  74   9.69 +/- 2.94   2.656% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.82 +/- 3.22   0.222% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD    LYS+  38   7.92 +/- 1.24   3.001% *  0.0241% (0.20   1.0  1.00   0.02   0.78) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  18.13 +/- 2.07   0.229% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HD2   LYS+  74  11.43 +/- 3.23   1.543% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HD2   LYS+  74  15.52 +/- 2.03   0.405% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - QD    LYS+  38  19.44 +/- 2.67   0.224% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  20.73 +/- 5.23   0.255% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  17.53 +/- 2.34   0.282% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  18.63 +/- 2.57   0.238% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.31 +/- 1.34   2.808% *  0.0047% (0.04   1.0  1.00   0.02   0.78) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  13.82 +/- 1.83   0.538% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  20.08 +/- 5.18   0.497% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  14.08 +/- 3.18   1.290% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.74 +/- 1.41   0.527% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  16.95 +/- 1.93   0.284% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  24.30 +/- 2.96   0.112% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  23.32 +/- 3.16   0.121% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.14 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.903, support = 5.54, residual support = 189.7:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.78 +/- 0.19  33.693% * 88.7775% (1.00  10.0 10.00   5.54 186.80) =  89.542%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.38 +/- 0.15  51.271% *  6.6407% (0.07  10.0 10.00   5.56 220.04) =  10.192%  kept
          QG2   THR   39 - QD    LYS+  38   6.36 +/- 0.80   3.251% *  2.2006% (0.13   1.0  1.00   3.73  23.11) =   0.214%  kept
        T HG3   LYS+  99 - QD    LYS+  38  12.09 +/- 5.91   5.812% *  0.1942% (0.22   1.0 10.00   0.02   0.02) =   0.034%
        T HG3   LYS+  99 - HD2   LYS+  74  19.39 +/- 3.22   0.258% *  0.8858% (1.00   1.0 10.00   0.02   0.02) =   0.007%
          HG13  ILE   19 - HD2   LYS+  74  10.08 +/- 3.96   1.896% *  0.0820% (0.92   1.0  1.00   0.02   8.14) =   0.005%
          HG    LEU   71 - HD2   LYS+  74  12.65 +/- 1.81   0.440% *  0.0886% (1.00   1.0  1.00   0.02   0.19) =   0.001%
        T HG3   LYS+ 111 - HD2   LYS+  74  22.44 +/- 3.85   0.090% *  0.3332% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  18.88 +/- 2.56   0.134% *  0.1947% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HD2   LYS+  74  21.12 +/- 2.10   0.081% *  0.3028% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HD2   LYS+  74  13.27 +/- 2.08   0.371% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.38 +/- 2.07   0.900% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HD2   LYS+  74  15.47 +/- 2.82   0.239% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  12.87 +/- 2.61   0.662% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  15.41 +/- 3.17   0.268% *  0.0398% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  13.91 +/- 2.66   0.343% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  29.07 +/- 3.23   0.032% *  0.0731% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.55 +/- 2.31   0.076% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.36 +/- 2.01   0.070% *  0.0087% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.00 +/- 3.02   0.112% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 0.993, support = 4.97, residual support = 185.3:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.92 +/- 0.09  59.385% * 93.0971% (1.00  10.0 10.00   4.97 186.80) =  99.017%  kept
          HB    VAL   75 - HD2   LYS+  74   6.25 +/- 1.12   8.656% *  6.1898% (0.31   1.0  1.00   4.31  31.94) =   0.960%  kept
          QD1   LEU   67 - HD2   LYS+  74   8.70 +/- 2.64   6.296% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.010%
          QD1   LEU   67 - QD    LYS+  38  11.79 +/- 2.82   8.651% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HD2   LYS+  74   9.87 +/- 1.71   2.346% *  0.0639% (0.69   1.0  1.00   0.02   0.19) =   0.003%
          QG2   ILE  103 - HD2   LYS+  74  14.90 +/- 2.58   1.000% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HD2   LYS+  74  12.52 +/- 1.72   0.933% *  0.0835% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QD    LYS+  38   7.76 +/- 1.17   3.914% *  0.0183% (0.20   1.0  1.00   0.02   0.78) =   0.001%
          QD1   ILE  103 - HD2   LYS+  74  15.13 +/- 3.41   1.357% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - QD    LYS+  38   9.24 +/- 2.23   4.007% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  74 - QD    LYS+  38  19.56 +/- 2.54   0.236% *  0.2042% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HD2   LYS+  74  14.84 +/- 2.66   0.676% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  14.72 +/- 2.49   0.625% *  0.0200% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  14.52 +/- 2.68   0.683% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  18.58 +/- 4.38   0.848% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  17.61 +/- 2.64   0.387% *  0.0063% (0.07   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 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.27 +/- 0.12  93.343% * 99.4851% (1.00  10.0 10.00   4.97 186.80) =  99.996%  kept
        T QE    LYS+  74 - QD    LYS+  38  17.22 +/- 2.14   0.423% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HD2   LYS+  74  13.00 +/- 3.32   0.767% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HD2   LYS+  74   8.47 +/- 0.94   2.050% *  0.0307% (0.31   1.0  1.00   0.02   0.82) =   0.001%
          HB3   ASP-  78 - HD2   LYS+  74  11.19 +/- 2.01   1.019% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  15.68 +/- 2.55   0.394% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  12.20 +/- 2.12   1.044% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  13.06 +/- 2.15   0.721% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  23.21 +/- 3.00   0.119% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  25.22 +/- 3.49   0.121% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.8:
    *   T HA    LYS+  74 - QE    LYS+  74   3.11 +/- 0.47  95.113% * 99.8966% (0.80 10.00   4.93 186.80) =  99.997%  kept
          HA    THR   94 - QE    LYS+  74  12.36 +/- 2.63   2.512% *  0.0757% (0.61  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - QE    LYS+  74  13.64 +/- 4.04   2.375% *  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 = 186.7:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.12 +/- 0.75  57.737% * 99.4757% (0.80 10.00   4.62 186.80) =  99.960%  kept
          HG2   LYS+  65 - QE    LYS+  74   7.87 +/- 3.98  22.300% *  0.0557% (0.45  1.00   0.02   0.02) =   0.022%
          QG2   THR   26 - QE    LYS+  74   9.20 +/- 2.42   7.924% *  0.0654% (0.53  1.00   0.02   0.02) =   0.009%
          HG    LEU   67 - QE    LYS+  74   9.98 +/- 3.13   6.090% *  0.0310% (0.25  1.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - QE    LYS+  74  14.07 +/- 1.71   1.092% *  0.1114% (0.90  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - QE    LYS+  74  15.23 +/- 2.31   0.979% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - QE    LYS+  74  16.44 +/- 2.19   0.700% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  74  17.64 +/- 2.89   0.637% *  0.0466% (0.38  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  74  12.49 +/- 1.49   1.352% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+  74  14.74 +/- 2.09   1.189% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.25 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 186.5:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.68 +/- 0.61  83.585% * 97.6477% (1.00  10.0 10.00   4.54 186.80) =  99.858%  kept
          HG13  ILE   19 - QE    LYS+  74   9.41 +/- 3.57   7.000% *  1.5761% (0.92   1.0  1.00   0.35   8.14) =   0.135%  kept
          HG    LEU   71 - QE    LYS+  74  11.72 +/- 1.28   1.751% *  0.0974% (1.00   1.0  1.00   0.02   0.19) =   0.002%
        T HG3   LYS+ 111 - QE    LYS+  74  19.63 +/- 3.78   0.322% *  0.3665% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+  74  12.19 +/- 1.61   1.818% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QE    LYS+  74  13.52 +/- 2.98   1.023% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+  74  13.72 +/- 3.10   1.140% *  0.0438% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - QE    LYS+  74  11.04 +/- 2.32   2.575% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QE    LYS+  74  17.57 +/- 2.30   0.451% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QE    LYS+  74  19.21 +/- 2.25   0.334% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.989, support = 4.0, residual support = 184.2:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.85 +/- 0.45  64.056% * 93.7820% (1.00  10.0 10.00   4.00 186.80) =  98.351%  kept
          HB    VAL   75 - QE    LYS+  74   5.60 +/- 1.31  17.103% *  5.8026% (0.31   1.0  1.00   4.01  31.94) =   1.625%  kept
          QD1   LEU   67 - QE    LYS+  74   7.55 +/- 2.60  11.602% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.016%
          QD2   LEU   71 - QE    LYS+  74   9.10 +/- 1.25   2.581% *  0.0644% (0.69   1.0  1.00   0.02   0.19) =   0.003%
          QD2   LEU   40 - QE    LYS+  74  11.28 +/- 1.46   1.294% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QE    LYS+  74  13.42 +/- 1.96   0.899% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QE    LYS+  74  13.71 +/- 2.84   1.220% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - QE    LYS+  74  12.98 +/- 2.34   1.244% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.27 +/- 0.12  74.253% * 99.2156% (1.00  10.0 10.00   4.97 186.80) =  99.978%  kept
          QD    LYS+  65 - QE    LYS+  74   7.91 +/- 3.86  20.675% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.016%
          QB    ALA   57 - QE    LYS+  74  10.54 +/- 2.88   2.061% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - QE    LYS+  74  17.22 +/- 2.14   0.344% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   83 - QE    LYS+  74  11.50 +/- 3.01   1.503% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - QE    LYS+  74  13.19 +/- 2.01   0.526% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  21.03 +/- 4.04   0.186% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  17.39 +/- 2.83   0.237% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  19.30 +/- 3.60   0.214% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 3.44, residual support = 82.7:
    * O T HB    VAL   75 - HA    VAL   75   2.86 +/- 0.23  79.908% * 93.6644% (1.00  10.0 10.00   3.44  83.13) =  99.127%  kept
          HG3   LYS+  74 - HA    VAL   75   5.73 +/- 0.54  11.265% *  5.7933% (0.31   1.0  1.00   4.01  31.94) =   0.864%  kept
        T QD1   ILE  119 - HA    VAL   75  13.42 +/- 1.93   0.903% *  0.3851% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          QD1   LEU   67 - HA    VAL   75   9.35 +/- 1.44   2.918% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HA    VAL   75  12.51 +/- 2.13   2.793% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    VAL   75  11.43 +/- 1.53   1.517% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL   75  16.21 +/- 2.81   0.695% *  0.0164% (0.18   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 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.1:
    * O T QG1   VAL   75 - HA    VAL   75   2.63 +/- 0.23  98.631% * 99.9055% (1.00  10.0 10.00   4.00  83.13) =  99.999%  kept
          QD1   LEU  115 - HA    VAL   75  12.45 +/- 1.69   1.369% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.1:
    * O T QG2   VAL   75 - HA    VAL   75   2.35 +/- 0.41  95.610% * 99.9036% (1.00  10.0 10.00   4.00  83.13) =  99.996%  kept
          QG2   VAL   42 - HA    VAL   75   8.50 +/- 1.34   4.390% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.1:
    * O T HA    VAL   75 - HB    VAL   75   2.86 +/- 0.23  85.931% * 99.7003% (1.00  10.0 10.00   3.44  83.13) =  99.994%  kept
          HA    ALA   61 - HB    VAL   75   8.31 +/- 2.04  11.747% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ILE  119 - HB    VAL   75  15.04 +/- 2.19   0.746% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HB    VAL   75  13.75 +/- 1.91   0.911% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    VAL   75  16.02 +/- 2.13   0.664% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.1:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.02  98.959% * 99.9055% (1.00  10.0 10.00   3.44  83.13) =  99.999%  kept
          QD1   LEU  115 - HB    VAL   75  11.09 +/- 2.10   1.041% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 83.1:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.02  96.312% * 99.0442% (1.00  10.0 10.00   3.31  83.13) =  99.963%  kept
        T QG2   VAL   42 - HB    VAL   75   7.16 +/- 1.44   3.688% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.037%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.1:
    * O T HA    VAL   75 - QG1   VAL   75   2.63 +/- 0.23  89.379% * 99.6578% (1.00  10.0 10.00   4.00  83.13) =  99.980%  kept
        T HA    ALA   61 - QG1   VAL   75   8.36 +/- 1.92   7.371% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.018%
          HD3   PRO   58 - QG1   VAL   75  12.02 +/- 1.95   1.296% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG1   VAL   75  13.31 +/- 1.82   0.902% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.70 +/- 1.95   1.053% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 83.0:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.02  89.490% * 94.0090% (1.00  10.0 10.00   3.44  83.13) =  99.749%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.51 +/- 0.72   3.594% *  5.7946% (0.31   1.0  1.00   3.99  31.94) =   0.247%  kept
          QD1   LEU   67 - QG1   VAL   75   7.61 +/- 1.03   2.407% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QG1   VAL   75   9.40 +/- 1.51   1.802% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG1   VAL   75   9.95 +/- 1.62   1.180% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG1   VAL   75  10.51 +/- 1.53   0.894% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  13.05 +/- 2.35   0.634% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.1:
    * O T QG2   VAL   75 - QG1   VAL   75   2.04 +/- 0.06  96.234% * 99.9036% (1.00  10.0 10.00   4.00  83.13) =  99.996%  kept
          QG2   VAL   42 - QG1   VAL   75   6.95 +/- 1.34   3.766% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.1:
    * O T HA    VAL   75 - QG2   VAL   75   2.35 +/- 0.41  90.255% * 99.8572% (1.00  10.0 10.00   4.00  83.13) =  99.997%  kept
          HA    ALA   61 - QG2   VAL   75   8.02 +/- 1.80   6.846% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - QG2   VAL   75  12.44 +/- 1.99   1.461% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG2   VAL   75  13.37 +/- 2.27   0.692% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.11 +/- 2.23   0.747% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.31, residual support = 83.0:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.02  87.273% * 93.9929% (1.00  10.0 10.00   3.31  83.13) =  99.716%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.21 +/- 0.59   3.960% *  5.8107% (0.31   1.0  1.00   4.01  31.94) =   0.280%  kept
          QD1   LEU   67 - QG2   VAL   75   7.27 +/- 0.74   2.371% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QG2   VAL   75   8.61 +/- 1.48   1.976% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG2   VAL   75   9.99 +/- 1.93   2.631% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   75  10.79 +/- 1.92   0.971% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.81 +/- 2.71   0.819% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.1:
    * O T QG1   VAL   75 - QG2   VAL   75   2.04 +/- 0.06  98.091% * 99.9055% (1.00  10.0 10.00   4.00  83.13) =  99.998%  kept
          QD1   LEU  115 - QG2   VAL   75  10.11 +/- 2.26   1.909% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.99, support = 2.84, residual support = 35.2:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.92 +/- 0.17  63.152% * 90.3934% (1.00  10.0 10.00   2.85  35.71) =  98.337%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.62 +/- 0.82  11.182% *  4.7155% (0.73   1.0  1.00   1.44   4.59) =   0.908%  kept
        T QE    LYS+  66 - HA    LEU   67   6.18 +/- 1.24  10.936% *  3.3017% (0.04   1.0 10.00   3.45  14.08) =   0.622%  kept
          HB2   ASN   69 - HA    LEU   67   6.45 +/- 1.02   8.066% *  0.8899% (0.16   1.0  1.00   1.22   3.22) =   0.124%  kept
        T QE    LYS+  66 - HA    ASP-  76  14.69 +/- 3.40   0.992% *  0.2012% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - HA    ASP-  76  17.33 +/- 3.04   0.802% *  0.2012% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - HA    LEU   67  14.86 +/- 3.95   2.329% *  0.0330% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    LEU   67  16.86 +/- 2.27   0.443% *  0.1483% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    ASP-  76  19.20 +/- 2.34   0.294% *  0.0886% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  16.71 +/- 2.43   0.429% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  19.99 +/- 3.11   0.291% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  19.33 +/- 4.80   1.085% *  0.0023% (0.03   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 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   2.69 +/- 0.21  86.997% * 99.2676% (0.87  10.0 10.00   2.98  35.71) =  99.993%  kept
          HG3   MET   92 - HA    ASP-  76  13.62 +/- 4.74   1.853% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HA    ASP-  76  11.27 +/- 2.48   2.315% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - HA    LEU   67  16.77 +/- 2.47   0.541% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ASP-  76  17.56 +/- 2.76   0.743% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    ASP-  76  17.66 +/- 2.75   0.469% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    ASP-  76  21.87 +/- 3.23   0.318% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  12.92 +/- 3.19   1.636% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  17.00 +/- 2.05   0.431% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  16.11 +/- 4.11   0.807% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  18.18 +/- 5.32   0.945% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  21.43 +/- 4.21   0.651% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  18.69 +/- 3.74   0.507% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  14.98 +/- 3.24   0.874% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.08 +/- 2.53   0.641% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  20.90 +/- 3.24   0.272% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 2.85, residual support = 35.5:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.92 +/- 0.17  80.331% * 94.4931% (1.00  10.0 10.00   2.85  35.71) =  99.106%  kept
        T HA    LEU   67 - QE    LYS+  66   6.18 +/- 1.24  13.841% *  4.8987% (0.05   1.0 10.00   3.45  14.08) =   0.885%  kept
        T HA    ASP-  76 - QE    LYS+  66  14.69 +/- 3.40   1.284% *  0.1965% (0.21   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASP-  76 - QE    LYS+  33  17.33 +/- 3.04   1.013% *  0.1409% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU   67 - HB2   ASP-  76  16.86 +/- 2.27   0.565% *  0.2356% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LEU   67 - QE    LYS+  33  14.86 +/- 3.95   2.966% *  0.0351% (0.04   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  90.031% * 98.9845% (0.87  10.0 10.00   2.83  35.71) =  99.997%  kept
          HB2   GLU-  29 - QE    LYS+  33   6.62 +/- 1.79   4.262% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - QE    LYS+  66  16.22 +/- 3.44   0.193% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  17.47 +/- 3.21   0.236% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  14.49 +/- 4.02   0.329% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  11.69 +/- 2.39   0.568% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  18.47 +/- 3.35   0.189% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.64 +/- 5.45   0.743% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  17.11 +/- 3.24   0.150% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  15.96 +/- 4.14   0.546% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  21.89 +/- 3.82   0.087% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  12.95 +/- 2.57   0.342% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  18.79 +/- 4.22   0.239% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  18.56 +/- 2.45   0.114% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66  12.74 +/- 3.49   0.546% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  14.99 +/- 4.54   0.317% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  19.81 +/- 4.72   0.172% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  15.63 +/- 3.29   0.317% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.75 +/- 3.56   0.125% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.15 +/- 3.38   0.051% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  16.93 +/- 2.00   0.116% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  19.45 +/- 4.21   0.187% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  21.42 +/- 4.18   0.089% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  21.72 +/- 2.14   0.053% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.98, residual support = 35.7:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.69 +/- 0.21  99.382% * 99.7513% (0.87  10.0 10.00   2.98  35.71) =  99.998%  kept
        T HA    LEU   67 - HB3   ASP-  76  16.77 +/- 2.47   0.618% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.83, residual support = 35.7:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  93.544% * 97.6174% (0.87  10.0 10.00   2.83  35.71) =  99.883%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.90 +/- 0.80   5.768% *  1.8372% (0.63   1.0  1.00   0.52   4.59) =   0.116%  kept
        T QE    LYS+  33 - HB3   ASP-  76  17.47 +/- 3.21   0.244% *  0.2173% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  66 - HB3   ASP-  76  16.22 +/- 3.44   0.201% *  0.2173% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  20.51 +/- 2.86   0.081% *  0.0957% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  16.52 +/- 2.75   0.161% *  0.0151% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 2.99, residual support = 37.3:
    * O T HB    THR   77 - HA    THR   77   2.54 +/- 0.13  86.133% * 93.2758% (1.00  10.0 10.00   3.00  37.46) =  99.535%  kept
          HA    GLU-  79 - HA    THR   77   6.31 +/- 0.51   6.034% *  6.1307% (0.69   1.0  1.00   1.91   0.02) =   0.458%  kept
          HA    ASP-  44 - HA    THR   77   9.72 +/- 2.28   2.126% *  0.0925% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HA    THR   77  11.15 +/- 2.77   1.626% *  0.0933% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  103 - HA    THR   77  16.64 +/- 3.52   0.587% *  0.0914% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HA    THR   77  16.07 +/- 4.44   0.794% *  0.0454% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  12.61 +/- 2.09   0.947% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  15.35 +/- 4.13   1.076% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  20.58 +/- 3.29   0.295% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  29.54 +/- 5.91   0.096% *  0.0914% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  22.44 +/- 4.50   0.192% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  27.63 +/- 5.11   0.096% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T QG2   THR   77 - HA    THR   77   2.54 +/- 0.32  96.519% * 99.7982% (1.00  10.0 10.00   3.00  37.46) =  99.998%  kept
          QB    ALA   88 - HA    THR   77  11.41 +/- 2.67   1.455% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    THR   77  13.75 +/- 2.71   0.835% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  24.20 +/- 4.35   0.400% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  20.63 +/- 3.45   0.416% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  19.21 +/- 4.43   0.375% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 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   2.54 +/- 0.13  96.096% * 99.9104% (1.00  10.0 10.00   3.00  37.46) =  99.998%  kept
          HD2   PRO   93 - HB    THR   77  11.67 +/- 5.41   3.319% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB    THR   77  15.41 +/- 2.72   0.585% *  0.0448% (0.45   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 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 = 2.7, residual support = 37.5:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.02  97.752% * 99.5496% (1.00  10.0 10.00   2.70  37.46) =  99.998%  kept
        T QG2   THR   23 - HB    THR   77  14.82 +/- 2.16   0.368% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB    THR   77  11.83 +/- 3.31   1.080% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HB    THR   77  25.62 +/- 5.07   0.236% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  21.83 +/- 4.13   0.218% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  18.69 +/- 5.36   0.346% *  0.0154% (0.15   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 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   2.54 +/- 0.32  92.851% * 99.9104% (1.00  10.0 10.00   3.00  37.46) =  99.997%  kept
          HD2   PRO   93 - QG2   THR   77   9.16 +/- 4.59   5.945% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HB2   TRP   27 - QG2   THR   77  12.15 +/- 2.04   1.204% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.69, residual support = 37.4:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.02  87.924% * 92.5102% (1.00  10.0 10.00   2.70  37.46) =  99.725%  kept
          HA    ASP-  44 - QG2   THR   77   7.66 +/- 2.59   3.161% *  6.9294% (0.99   1.0  1.00   1.51   0.02) =   0.269%  kept
          HA    GLU-  79 - QG2   THR   77   7.21 +/- 0.55   2.578% *  0.0635% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   THR   77  10.38 +/- 2.65   1.297% *  0.0925% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QG2   THR   77  14.05 +/- 3.43   0.932% *  0.0907% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG2   THR   77  12.00 +/- 4.00   1.159% *  0.0450% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG2   THR   77  11.76 +/- 2.25   0.804% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  11.46 +/- 3.42   1.295% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  17.31 +/- 2.90   0.434% *  0.0561% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  24.84 +/- 4.80   0.102% *  0.0907% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  18.80 +/- 3.45   0.211% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  23.19 +/- 4.10   0.101% *  0.0380% (0.41   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 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.4, residual support = 39.4:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.83 +/- 0.22  81.686% * 95.6060% (1.00  10.0 10.00   3.41  39.63) =  99.490%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.11 +/- 0.80   9.504% *  4.1691% (0.73   1.0  1.00   1.20   4.59) =   0.505%  kept
          QE    LYS+  33 - HA    ASP-  78  21.15 +/- 4.40   4.541% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QE    LYS+  65 - HA    ASP-  78  15.70 +/- 5.01   2.161% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  12.27 +/- 1.66   1.616% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  19.97 +/- 3.77   0.317% *  0.0503% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  24.55 +/- 2.83   0.175% *  0.0580% (0.61   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 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.6:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.79 +/- 0.22  93.170% * 99.8720% (1.00  10.0 10.00   2.31  39.63) =  99.997%  kept
          QB    CYS   50 - HA    ASP-  78  13.04 +/- 4.93   3.171% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    ASP-  78  10.95 +/- 1.95   2.322% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASP-  78  23.47 +/- 4.41   0.874% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  22.45 +/- 3.76   0.463% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.4, residual support = 39.5:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.83 +/- 0.22  89.339% * 97.2512% (1.00  10.0 10.00   3.41  39.63) =  99.745%  kept
          HA    LEU   80 - HB2   ASP-  78   7.17 +/- 1.20   8.440% *  2.6162% (0.49   1.0  1.00   1.11   6.21) =   0.253%  kept
          HA    THR   23 - HB2   ASP-  78  14.62 +/- 3.36   0.965% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - HB2   ASP-  78  15.92 +/- 3.60   0.770% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  21.92 +/- 3.79   0.486% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 39.6:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  97.013% * 99.8720% (1.00  10.0 10.00   2.81  39.63) =  99.999%  kept
          QE    LYS+  74 - HB2   ASP-  78   9.79 +/- 2.13   1.079% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  23.07 +/- 5.05   0.815% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASP-  78  12.74 +/- 5.05   0.896% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  22.37 +/- 4.14   0.198% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.6:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.79 +/- 0.22  90.525% * 99.8154% (1.00  10.0 10.00   2.31  39.63) =  99.995%  kept
          HA    LEU   80 - HB3   ASP-  78   7.25 +/- 1.02   6.685% *  0.0486% (0.49   1.0  1.00   0.02   6.21) =   0.004%
          HA    THR   23 - HB3   ASP-  78  14.67 +/- 3.67   1.388% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - HB3   ASP-  78  15.97 +/- 3.86   1.069% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  22.18 +/- 3.92   0.334% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 2.81, residual support = 39.5:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  90.800% * 96.1932% (1.00  10.0 10.00   2.81  39.63) =  99.734%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.21 +/- 1.36   6.477% *  3.5804% (0.73   1.0  1.00   1.03   4.59) =   0.265%  kept
          QE    LYS+  33 - HB3   ASP-  78  20.77 +/- 4.30   0.895% *  0.0622% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HB3   ASP-  78  13.47 +/- 2.28   1.140% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  14.86 +/- 4.67   0.560% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  19.64 +/- 2.93   0.081% *  0.0506% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  24.09 +/- 3.21   0.048% *  0.0583% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (2.78, 2.78, 41.22 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  78 - HB3   ASP-  78  (1.00)  kept
 
    Peak 931 (4.27, 4.27, 58.55 ppm):
    1 diagonal assignment:
    *     HA    GLU-  79 - HA    GLU-  79  (1.00)  kept
 
    Peak 932 (2.31, 4.27, 58.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 56.7:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.89 +/- 0.21  96.469% * 98.4729% (1.00  10.0 10.00   4.39  56.65) =  99.994%  kept
        T HG3   GLU-  36 - HA    GLU-  79  25.94 +/- 4.27   0.292% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.003%
          HG2   MET   92 - HA    GLU-  79  15.24 +/- 3.51   1.059% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU-  79  18.23 +/- 4.76   0.869% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    GLU-  79  25.73 +/- 4.77   0.231% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    GLU-  79  18.06 +/- 5.18   0.755% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  20.13 +/- 2.65   0.327% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.53, residual support = 56.7:
    * O T QG    GLU-  79 - HA    GLU-  79   2.38 +/- 0.26  98.137% * 99.7507% (1.00  10.0 10.00   3.53  56.65) =  99.999%  kept
          QG    GLN   32 - HA    GLU-  79  20.72 +/- 3.90   0.321% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  19.06 +/- 3.63   0.746% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  23.17 +/- 4.76   0.258% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  18.54 +/- 2.47   0.406% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  24.58 +/- 3.24   0.132% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 56.6:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.89 +/- 0.21  87.589% * 97.2708% (1.00  10.0 10.00   4.39  56.65) =  99.854%  kept
          HB    THR   77 - HB2   GLU-  79   7.54 +/- 0.79   5.386% *  2.2152% (0.69   1.0  1.00   0.66   0.02) =   0.140%  kept
          HA1   GLY   51 - HB2   GLU-  79  18.51 +/- 5.34   1.726% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HB2   GLU-  79  12.29 +/- 1.46   1.426% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLU-  79  11.44 +/- 1.37   1.584% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLU-  79  17.77 +/- 4.32   0.893% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   GLU-  79  17.41 +/- 4.53   0.932% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   GLU-  79  21.16 +/- 2.30   0.261% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  28.12 +/- 5.68   0.203% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.51, residual support = 56.7:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.33 +/- 0.15  98.510% * 99.7507% (1.00  10.0 10.00   3.51  56.65) =  99.999%  kept
          QG    GLN   32 - HB2   GLU-  79  19.99 +/- 3.80   0.224% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  17.54 +/- 3.35   0.608% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  21.94 +/- 4.58   0.205% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  17.09 +/- 1.73   0.325% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  23.17 +/- 2.49   0.128% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.53, residual support = 56.7:
    * O T HA    GLU-  79 - QG    GLU-  79   2.38 +/- 0.26  90.925% * 99.4064% (1.00  10.0 10.00   3.53  56.65) =  99.993%  kept
          HB    THR   77 - QG    GLU-  79   8.34 +/- 0.72   2.827% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - QG    GLU-  79  17.55 +/- 5.06   1.123% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG    GLU-  79  11.27 +/- 1.75   1.473% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QG    GLU-  79  16.44 +/- 4.24   1.242% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG    GLU-  79  11.31 +/- 1.19   1.170% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG    GLU-  79  16.62 +/- 4.48   0.909% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - QG    GLU-  79  19.38 +/- 2.02   0.204% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  25.04 +/- 5.20   0.127% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.51, residual support = 56.7:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.33 +/- 0.15  96.915% * 99.5443% (1.00  10.0 10.00   3.51  56.65) =  99.998%  kept
          HG2   PRO   52 - QG    GLU-  79  16.53 +/- 4.48   0.973% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QG    GLU-  79  13.96 +/- 2.81   0.606% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - QG    GLU-  79  15.67 +/- 5.59   0.875% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - QG    GLU-  79  17.85 +/- 2.31   0.292% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  22.42 +/- 3.50   0.150% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  22.27 +/- 4.38   0.189% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.04 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 = 5.72, residual support = 85.8:
    *   T QD1   LEU   80 - HA    LEU   80   2.65 +/- 0.72  83.560% * 98.6414% (0.65 10.00   5.72  85.83) =  99.949%  kept
        T QD2   LEU   98 - HA    LEU   80  12.93 +/- 3.39   2.914% *  0.9864% (0.65 10.00   0.02   0.02) =   0.035%
          QG2   VAL   41 - HA    LEU   80  13.68 +/- 3.34   6.144% *  0.1274% (0.84  1.00   0.02   0.02) =   0.009%
          QD2   LEU   63 - HA    LEU   80  15.30 +/- 2.43   1.953% *  0.1408% (0.92  1.00   0.02   0.02) =   0.003%
          QD1   LEU   73 - HA    LEU   80  11.40 +/- 3.28   4.306% *  0.0520% (0.34  1.00   0.02   0.02) =   0.003%
          QD1   LEU   63 - HA    LEU   80  15.47 +/- 2.88   1.124% *  0.0520% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.06 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.3, residual support = 85.6:
    * O   HA    LEU   80 - HB2   LEU   80   2.74 +/- 0.19  86.520% * 96.1846% (1.00  10.0   5.32  85.83) =  99.742%  kept
          HA    ASP-  78 - HB2   LEU   80   7.04 +/- 1.01   6.474% *  2.6662% (0.49   1.0   1.14   6.21) =   0.207%  kept
          HA    THR   23 - HB2   LEU   80  12.99 +/- 6.96   4.061% *  0.9829% (0.80   1.0   0.26   0.65) =   0.048%
          HB    THR   23 - HB2   LEU   80  14.27 +/- 6.88   2.264% *  0.0928% (0.97   1.0   0.02   0.65) =   0.003%
          HA    ASP- 105 - HB2   LEU   80  19.29 +/- 3.95   0.682% *  0.0735% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 5.04, residual support = 85.7:
    * O T QD1   LEU   80 - HB2   LEU   80   2.92 +/- 0.40  85.150% * 97.5236% (0.65  10.0 10.00   5.05  85.83) =  99.892%  kept
        T QG2   VAL   41 - HB2   LEU   80  12.23 +/- 3.51   3.431% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.052%
        T QD2   LEU   98 - HB2   LEU   80  11.76 +/- 3.48   4.355% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.051%
          QD1   LEU   73 - HB2   LEU   80  10.34 +/- 3.64   4.847% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   LEU   80  14.17 +/- 2.69   1.021% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   LEU   80  14.37 +/- 3.43   1.197% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 A violated in 0 structures by 0.08 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 5.65, residual support = 84.7:
    *   T HA    LEU   80 - QD1   LEU   80   2.65 +/- 0.72  58.872% * 92.7769% (0.65 10.00   5.72  85.83) =  98.625%  kept
          HA    THR   23 - QD1   LEU   80  10.78 +/- 7.43  18.763% *  2.9933% (0.52  1.00   0.81   0.65) =   1.014%  kept
          HA    ASP-  78 - QD1   LEU   80   6.82 +/- 0.92   5.661% *  1.8950% (0.31  1.00   0.84   6.21) =   0.194%  kept
          HB    THR   23 - QD1   LEU   80  11.89 +/- 7.31   4.912% *  1.5717% (0.62  1.00   0.35   0.65) =   0.139%  kept
        T HA    LEU   80 - QD2   LEU   98  12.93 +/- 3.39   2.128% *  0.5318% (0.37 10.00   0.02   0.02) =   0.020%
          HB    THR   23 - QD2   LEU   98  15.43 +/- 4.50   3.056% *  0.0513% (0.36  1.00   0.02   0.02) =   0.003%
          HA    ASP- 105 - QD2   LEU   98   8.50 +/- 0.77   3.135% *  0.0406% (0.28  1.00   0.02   5.58) =   0.002%
          HA    THR   23 - QD2   LEU   98  15.11 +/- 4.59   1.654% *  0.0426% (0.30  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QD2   LEU   98  14.84 +/- 3.37   1.387% *  0.0259% (0.18  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - QD1   LEU   80  17.47 +/- 3.06   0.432% *  0.0709% (0.49  1.00   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.06 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 = 105.0:
    * O T QB    LYS+  81 - HA    LYS+  81   2.40 +/- 0.16  90.493% * 97.5498% (1.00  10.0 10.00   5.17 104.99) =  99.987%  kept
          HB3   GLN   90 - HA    LYS+  81   9.55 +/- 3.38   4.414% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   ARG+  54 - HA    LYS+  81  20.04 +/- 4.02   0.428% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   PRO   68 - HA    LYS+  81  25.06 +/- 3.28   0.109% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LYS+  81  14.16 +/- 1.98   0.601% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LYS+  81  18.30 +/- 3.90   0.344% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LYS+  81  19.45 +/- 3.59   0.562% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LYS+  81  17.98 +/- 3.59   0.512% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  12.30 +/- 3.55   1.444% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  21.36 +/- 3.83   0.230% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  19.37 +/- 2.48   0.229% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  18.87 +/- 4.36   0.289% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  27.04 +/- 3.17   0.076% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  22.21 +/- 3.22   0.174% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  26.52 +/- 3.23   0.094% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 105.0:
    * O T QG    LYS+  81 - HA    LYS+  81   2.48 +/- 0.58  97.215% * 98.1658% (1.00  10.0 10.00   4.24 104.99) =  99.988%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  16.36 +/- 2.51   0.751% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  33 - HA    LYS+  81  22.86 +/- 4.14   0.467% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.004%
          HD3   LYS+  74 - HA    LYS+  81  13.86 +/- 2.59   1.174% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  20.12 +/- 3.44   0.394% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.09 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.0:
    *   T QD    LYS+  81 - HA    LYS+  81   3.88 +/- 0.50  94.154% * 99.7569% (1.00 10.00   3.44 104.99) =  99.994%  kept
          HB    VAL   43 - HA    LYS+  81  11.68 +/- 1.52   4.168% *  0.0989% (0.99  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HA    LYS+  81  21.29 +/- 3.28   1.047% *  0.0995% (1.00  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    LYS+  81  22.88 +/- 4.52   0.632% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.0:
    *   T QE    LYS+  81 - HA    LYS+  81   3.92 +/- 0.47  96.611% * 99.9825% (1.00 10.00   3.44 104.99) =  99.999%  kept
          HB3   TRP   49 - HA    LYS+  81  15.61 +/- 4.37   3.389% *  0.0175% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 105.0:
    * O T HA    LYS+  81 - QB    LYS+  81   2.40 +/- 0.16  93.549% * 98.7606% (1.00  10.0 10.00   5.17 104.99) =  99.994%  kept
        T HA    ARG+  54 - QB    LYS+  81  18.77 +/- 3.64   0.391% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ARG+  54 - HB3   PRO   52   7.72 +/- 0.37   2.950% *  0.0733% (0.07   1.0 10.00   0.02   1.92) =   0.002%
        T HA    LYS+  81 - HB3   PRO   52  18.30 +/- 3.90   0.356% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  19.54 +/- 2.12   0.199% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.52 +/- 2.08   0.897% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  28.87 +/- 4.33   0.134% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  26.66 +/- 4.21   0.102% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  17.54 +/- 5.52   0.547% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  20.45 +/- 3.30   0.250% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  21.35 +/- 3.79   0.256% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  23.96 +/- 3.56   0.125% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  32.69 +/- 3.85   0.046% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.19 +/- 4.97   0.200% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 105.0:
    * O T QG    LYS+  81 - QB    LYS+  81   2.10 +/- 0.02  92.306% * 97.8497% (1.00  10.0 10.00   4.76 104.99) =  99.995%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  16.51 +/- 2.15   0.230% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QB    LYS+  81  21.59 +/- 4.25   0.210% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - HB3   PRO   52  16.98 +/- 4.24   0.351% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  18.21 +/- 2.65   0.181% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  13.59 +/- 2.34   0.515% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  18.33 +/- 4.64   4.148% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  27.51 +/- 4.38   0.058% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  11.01 +/- 3.58   1.843% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  19.55 +/- 3.28   0.157% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 105.0:
    * O T QD    LYS+  81 - QB    LYS+  81   2.14 +/- 0.11  98.271% * 99.6151% (1.00  10.0 10.00   3.94 104.99) =  99.999%  kept
          HB    VAL   43 - QB    LYS+  81  12.45 +/- 1.32   0.565% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  81 - HB3   PRO   52  17.84 +/- 4.40   0.307% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  20.83 +/- 3.14   0.157% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  21.68 +/- 4.15   0.162% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  16.98 +/- 2.16   0.248% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  24.52 +/- 4.03   0.198% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  24.96 +/- 4.37   0.093% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 105.0:
    *     QE    LYS+  81 - QB    LYS+  81   2.95 +/- 0.59  94.219% * 99.8430% (1.00   3.94 104.99) =  99.997%  kept
          HB3   TRP   49 - QB    LYS+  81  14.59 +/- 4.74   1.522% *  0.0887% (0.18   0.02   0.02) =   0.001%
          QE    LYS+  81 - HB3   PRO   52  17.13 +/- 4.17   1.455% *  0.0581% (0.11   0.02   0.02) =   0.001%
          HB3   TRP   49 - HB3   PRO   52  10.33 +/- 1.27   2.804% *  0.0102% (0.02   0.02   3.23) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 105.0:
    * O T HA    LYS+  81 - QG    LYS+  81   2.48 +/- 0.58  75.858% * 98.8267% (1.00  10.0 10.00   4.24 104.99) =  99.990%  kept
        T HA    LYS+  81 - HG2   LYS+  33  22.86 +/- 4.14   0.367% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - HG2   LYS+  33   8.12 +/- 0.91   3.105% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HG2   LYS+ 106  16.36 +/- 2.51   0.581% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  66 - HG2   LYS+  33  17.95 +/- 4.40   9.673% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG2   LYS+  33  25.25 +/- 8.96   1.884% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QG    LYS+  81  17.98 +/- 3.71   0.635% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QG    LYS+  81  28.38 +/- 4.58   0.526% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG2   LYS+  33   8.79 +/- 0.70   2.608% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  27.03 +/- 4.31   0.205% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  25.36 +/- 3.90   0.322% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  17.91 +/- 5.42   0.514% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  20.90 +/- 3.56   0.455% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  11.17 +/- 2.22   1.448% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  19.24 +/- 3.06   0.303% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  18.95 +/- 2.42   0.265% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  20.63 +/- 4.30   0.227% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  24.67 +/- 3.37   0.112% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  24.14 +/- 4.44   0.242% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.23 +/- 3.26   0.409% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  19.24 +/- 3.71   0.259% *  0.0038% (0.04   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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.788, support = 5.03, residual support = 119.7:
    * O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  35.138% * 56.3281% (1.00  10.0 10.00   4.76 104.99) =  65.435%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.28 +/- 0.12  27.699% * 26.0268% (0.46  10.0 10.00   5.63 154.00) =  23.834%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.34 +/- 0.12  25.870% * 12.3662% (0.22  10.0 10.00   5.38 134.65) =  10.576%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.22 +/- 0.78   1.638% *  2.6230% (0.20   1.0  1.00   4.72  24.58) =   0.142%  kept
        T QB    LYS+ 106 - QG    LYS+  81  14.18 +/- 1.89   0.143% *  0.5620% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+  33 - QG    LYS+  81  20.38 +/- 4.13   0.135% *  0.5436% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - QG    LYS+  81   9.46 +/- 3.50   1.251% *  0.0558% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  33   5.62 +/- 0.76   2.286% *  0.0101% (0.18   1.0  1.00   0.02   0.48) =   0.001%
          HB    ILE  103 - HG2   LYS+ 106   6.28 +/- 1.59   2.103% *  0.0104% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  21.59 +/- 4.25   0.074% *  0.2697% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.42 +/- 2.19   0.052% *  0.2691% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  16.98 +/- 4.24   0.133% *  0.0869% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  17.72 +/- 3.73   0.244% *  0.0470% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  16.51 +/- 2.15   0.087% *  0.1239% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.43 +/- 4.00   0.200% *  0.0489% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  11.69 +/- 4.05   0.583% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.89 +/- 1.97   0.420% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.93 +/- 2.73   0.053% *  0.1196% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  19.07 +/- 3.31   0.102% *  0.0505% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.32 +/- 3.59   0.140% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.42 +/- 2.44   0.071% *  0.0409% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.08 +/- 3.65   0.087% *  0.0242% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  18.30 +/- 4.40   0.090% *  0.0211% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  13.84 +/- 2.03   0.154% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  18.21 +/- 2.65   0.071% *  0.0191% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.77 +/- 2.86   0.030% *  0.0451% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.99 +/- 3.18   0.051% *  0.0225% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.46 +/- 2.46   0.111% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  27.51 +/- 4.38   0.022% *  0.0416% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  25.93 +/- 3.25   0.024% *  0.0319% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  23.81 +/- 7.46   0.185% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  23.25 +/- 3.67   0.035% *  0.0196% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  20.81 +/- 3.35   0.052% *  0.0108% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  26.94 +/- 3.52   0.024% *  0.0234% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.25 +/- 4.46   0.051% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.84 +/- 2.14   0.018% *  0.0267% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  20.91 +/- 3.41   0.056% *  0.0076% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.23 +/- 1.81   0.106% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  24.86 +/- 3.18   0.036% *  0.0087% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  21.79 +/- 3.23   0.038% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  19.06 +/- 2.32   0.055% *  0.0047% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  17.97 +/- 3.97   0.144% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  22.51 +/- 4.76   0.053% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  18.12 +/- 3.54   0.068% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.64 +/- 2.38   0.019% *  0.0067% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 105.0:
    * O T QD    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  92.349% * 98.8994% (1.00  10.0 10.00   3.76 104.99) =  99.996%  kept
        T QD    LYS+  81 - HG2   LYS+  33  23.26 +/- 4.77   0.242% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG2   LYS+  33  12.55 +/- 3.14   3.067% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   43 - QG    LYS+  81  12.40 +/- 1.67   0.516% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   43 - HG2   LYS+ 106   9.69 +/- 2.57   1.856% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  17.56 +/- 2.23   0.182% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  16.26 +/- 4.46   0.361% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  20.70 +/- 3.40   0.164% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.11 +/- 0.95   0.655% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  15.62 +/- 1.76   0.249% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  21.51 +/- 4.26   0.141% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  22.67 +/- 4.01   0.217% *  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 = 3.76, residual support = 105.0:
    * O   QE    LYS+  81 - QG    LYS+  81   2.15 +/- 0.12  98.060% * 99.9005% (1.00  10.0   3.76 104.99) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  13.83 +/- 4.73   1.054% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  23.52 +/- 4.17   0.217% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  16.97 +/- 2.52   0.241% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  20.75 +/- 4.97   0.302% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  28.02 +/- 5.00   0.126% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.0:
    *   T HA    LYS+  81 - QD    LYS+  81   3.88 +/- 0.50  92.806% * 99.7133% (1.00 10.00   3.44 104.99) =  99.996%  kept
          HA    ARG+  54 - QD    LYS+  81  19.15 +/- 3.76   2.237% *  0.0645% (0.65  1.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QD    LYS+  81  28.36 +/- 4.70   0.749% *  0.0977% (0.98  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QD    LYS+  81  29.84 +/- 4.42   0.866% *  0.0762% (0.76  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD    LYS+  81  19.32 +/- 5.65   1.528% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  22.50 +/- 3.72   1.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  20.26 +/- 2.44   0.814% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 105.0:
    * O T QB    LYS+  81 - QD    LYS+  81   2.14 +/- 0.11  93.525% * 98.9997% (1.00  10.0 10.00   3.94 104.99) =  99.995%  kept
          HB3   GLN   90 - QD    LYS+  81   9.87 +/- 3.38   2.064% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  103 - QD    LYS+  81  18.91 +/- 3.93   0.691% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  81  21.61 +/- 4.40   0.543% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - QD    LYS+  81  17.84 +/- 4.40   0.292% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  12.45 +/- 4.19   1.312% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  15.28 +/- 1.79   0.318% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  19.48 +/- 4.08   0.343% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  20.49 +/- 3.41   0.218% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  19.77 +/- 2.35   0.155% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  19.84 +/- 4.52   0.211% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  25.30 +/- 2.99   0.070% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  27.36 +/- 3.56   0.077% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  22.43 +/- 3.13   0.109% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  26.30 +/- 3.04   0.074% *  0.0153% (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 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 105.0:
    * O T QG    LYS+  81 - QD    LYS+  81   2.08 +/- 0.03  98.773% * 98.1658% (1.00  10.0 10.00   3.76 104.99) =  99.996%  kept
        T HG2   LYS+  33 - QD    LYS+  81  23.26 +/- 4.77   0.259% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 106 - QD    LYS+  81  17.56 +/- 2.23   0.195% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - QD    LYS+  81  14.87 +/- 2.62   0.607% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  19.79 +/- 3.55   0.166% *  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 = 105.0:
    * O   QE    LYS+  81 - QD    LYS+  81   2.10 +/- 0.03  98.830% * 99.9825% (1.00  10.0   3.00 104.99) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  14.32 +/- 5.12   1.170% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 105.0:
    *   T HA    LYS+  81 - QE    LYS+  81   3.92 +/- 0.47  92.959% * 99.7133% (1.00 10.00   3.44 104.99) =  99.996%  kept
          HA    ARG+  54 - QE    LYS+  81  18.48 +/- 3.61   2.626% *  0.0645% (0.65  1.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QE    LYS+  81  29.23 +/- 4.30   0.801% *  0.0762% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QE    LYS+  81  28.59 +/- 4.12   0.455% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  19.57 +/- 5.18   1.225% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  19.42 +/- 2.76   1.032% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  22.17 +/- 3.81   0.902% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.17 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 = 33.2:
    * O T HB2   SER   82 - HA    SER   82   2.73 +/- 0.25  81.416% * 97.1708% (0.95  10.0 10.00   2.96  33.24) =  99.954%  kept
        T HA    SER   48 - HA    SER   82  16.59 +/- 4.60   1.953% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.024%
        T HB2   SER   82 - HA    GLU-  25  17.38 +/- 9.23   2.998% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.012%
          HA    ALA   88 - HA    SER   82   8.60 +/- 0.94   2.989% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  29 - HA    GLU-  25   7.02 +/- 0.44   5.293% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HA    GLU-  25  22.46 +/- 4.94   0.384% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T HA    VAL   70 - HA    SER   82  24.00 +/- 2.53   0.138% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    GLU-  25  18.94 +/- 2.63   0.341% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HA    SER   82  22.38 +/- 7.03   0.321% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.54 +/- 0.70   1.181% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  22.47 +/- 5.54   0.215% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.58 +/- 0.93   0.722% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  23.72 +/- 6.76   0.234% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  15.79 +/- 1.96   0.567% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  20.57 +/- 3.59   0.299% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  25.56 +/- 5.67   0.167% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  22.75 +/- 6.23   0.279% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  25.58 +/- 2.48   0.122% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.63 +/- 5.15   0.251% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  26.82 +/- 4.27   0.129% *  0.0137% (0.13   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 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.2:
    * O T HB3   SER   82 - HA    SER   82   2.83 +/- 0.23  87.615% * 98.8194% (1.00  10.0 10.00   2.00  33.24) =  99.984%  kept
        T HB3   SER   82 - HA    GLU-  25  17.03 +/- 8.98   3.054% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.011%
          HA    ILE   89 - HA    SER   82  10.79 +/- 0.72   1.701% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    SER   82  20.70 +/- 3.42   0.303% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    GLU-  25  23.98 +/- 4.32   0.758% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    GLU-  25   9.58 +/- 0.37   2.385% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  17.70 +/- 4.64   1.362% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  22.14 +/- 5.72   0.307% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  21.19 +/- 3.92   0.254% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  24.36 +/- 3.14   0.167% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  26.92 +/- 4.93   0.143% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.65 +/- 2.04   0.418% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  26.99 +/- 3.76   0.136% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  18.09 +/- 1.74   0.392% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  23.09 +/- 3.13   0.274% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.62 +/- 5.66   0.310% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  22.33 +/- 4.28   0.241% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  25.14 +/- 3.71   0.182% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.2:
    * O T HA    SER   82 - HB2   SER   82   2.73 +/- 0.25  79.506% * 97.8439% (0.95  10.0 10.00   2.96  33.24) =  99.959%  kept
        T HA    GLU-  25 - HB2   SER   82  17.38 +/- 9.23   2.946% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.022%
        T HA    SER   82 - HA    SER   48  16.59 +/- 4.60   1.924% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.013%
        T HA    GLU-  25 - HA    SER   48  22.46 +/- 4.94   0.366% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          HA    CYS   53 - HA    SER   48   9.48 +/- 2.55   8.301% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  25 - HA    VAL   70  18.94 +/- 2.63   0.334% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    VAL   70  24.00 +/- 2.53   0.135% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  62 - HA    SER   48  16.30 +/- 4.05   1.638% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  19.45 +/- 4.66   1.185% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.81 +/- 2.31   1.404% *  0.0128% (0.12   1.0  1.00   0.02   0.12) =   0.000%
          HA    ILE   19 - HB2   SER   82  20.82 +/- 5.33   0.319% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  11.82 +/- 1.37   1.206% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  22.92 +/- 3.30   0.189% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  22.23 +/- 2.73   0.212% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  18.92 +/- 2.60   0.334% *  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 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 = 33.2:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  85.055% * 96.7159% (0.95  10.0 10.00   2.33  33.24) =  99.988%  kept
        T HD3   PRO   52 - HA    SER   48   8.59 +/- 1.22   0.901% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   SER   37 - HA    VAL   70  10.38 +/- 2.06   0.656% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   39 - HA    VAL   70   7.29 +/- 2.30   5.350% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   SER   82 - HA    SER   48  17.26 +/- 4.43   0.202% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    VAL   70  14.00 +/- 2.62   0.290% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HA    SER   48   7.57 +/- 2.05   4.428% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    SER   48  13.67 +/- 3.54   1.092% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  22.38 +/- 3.77   0.053% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  22.65 +/- 4.34   0.082% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.46 +/- 0.61   0.242% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.24 +/- 2.87   0.042% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.36 +/- 2.08   0.350% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  18.66 +/- 3.49   0.363% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  20.83 +/- 6.61   0.101% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  23.44 +/- 3.81   0.046% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  25.68 +/- 5.34   0.040% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  23.74 +/- 5.20   0.075% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  22.66 +/- 4.24   0.090% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  25.01 +/- 5.09   0.051% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  25.94 +/- 4.39   0.035% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  26.61 +/- 5.12   0.050% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  23.78 +/- 3.59   0.061% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  20.56 +/- 2.51   0.074% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  21.56 +/- 3.28   0.071% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  17.63 +/- 2.72   0.107% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  19.19 +/- 2.94   0.095% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.2:
    * O T HA    SER   82 - HB3   SER   82   2.83 +/- 0.23  95.658% * 99.1601% (1.00  10.0 10.00   2.00  33.24) =  99.978%  kept
        T HA    GLU-  25 - HB3   SER   82  17.03 +/- 8.98   3.334% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.021%
        T HA    CYS   53 - HB3   SER   82  21.96 +/- 2.65   0.242% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  20.62 +/- 5.17   0.437% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  22.67 +/- 3.57   0.330% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.2:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  98.698% * 97.6038% (0.95  10.0 10.00   2.33  33.24) =  99.996%  kept
        T HA    SER   48 - HB3   SER   82  17.26 +/- 4.43   0.235% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   SER   82  10.51 +/- 0.75   0.479% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  21.43 +/- 3.29   0.067% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  23.24 +/- 2.87   0.049% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  20.64 +/- 7.54   0.153% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  21.34 +/- 5.99   0.103% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  22.23 +/- 7.16   0.098% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  24.07 +/- 6.25   0.071% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  25.98 +/- 3.00   0.049% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 3.97, residual support = 85.3:
    * O T HB    VAL   83 - HA    VAL   83   2.80 +/- 0.17  90.913% * 96.5761% (0.90  10.0 10.00   3.97  85.37) =  99.962%  kept
        T HD2   LYS+  74 - HA    VAL   83  14.73 +/- 3.28   1.949% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.018%
        T QD    LYS+  65 - HA    VAL   83  18.87 +/- 4.01   0.890% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.010%
          HB2   LYS+ 121 - HA    VAL   83  22.52 +/- 5.48   2.597% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T QB    ALA   57 - HA    VAL   83  18.59 +/- 2.94   0.493% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HA    VAL   83  21.92 +/- 3.62   0.264% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    VAL   83  16.50 +/- 3.13   1.169% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    VAL   83  16.43 +/- 1.83   0.611% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  22.90 +/- 3.45   0.228% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  19.17 +/- 4.32   0.441% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  27.15 +/- 4.37   0.253% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  28.26 +/- 4.27   0.192% *  0.0213% (0.20   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 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.18, residual support = 85.3:
    * O T QG1   VAL   83 - HA    VAL   83   2.24 +/- 0.23  88.658% * 99.0994% (0.87  10.0 10.00   4.18  85.37) =  99.958%  kept
          QD2   LEU   80 - HA    VAL   83   6.01 +/- 1.15   5.976% *  0.5806% (0.80   1.0  1.00   0.13   0.14) =   0.039%
          QG2   ILE   89 - HA    VAL   83   6.90 +/- 0.53   3.324% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    VAL   83  12.10 +/- 3.46   1.055% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    VAL   83  15.58 +/- 2.18   0.350% *  0.1103% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  15.85 +/- 2.87   0.415% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  17.51 +/- 1.93   0.222% *  0.0873% (0.76   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 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 85.2:
    * O T QG2   VAL   83 - HA    VAL   83   2.85 +/- 0.37  86.900% * 98.3751% (1.00  10.0 10.00   4.34  85.37) =  99.824%  kept
          QD1   ILE   89 - HA    VAL   83   6.50 +/- 1.13   9.558% *  1.5534% (0.90   1.0  1.00   0.35   0.02) =   0.173%  kept
          QD2   LEU   31 - HA    VAL   83  12.64 +/- 5.30   3.542% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 85.4:
    * O T HA    VAL   83 - HB    VAL   83   2.80 +/- 0.17  98.165% * 97.8171% (0.90  10.0 10.00   3.97  85.37) =  99.991%  kept
        T HA    GLU- 100 - HB    VAL   83  18.74 +/- 2.59   0.404% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   PRO   58 - HB    VAL   83  20.80 +/- 2.99   0.355% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HB    VAL   83  21.55 +/- 3.70   0.293% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB    VAL   83  17.96 +/- 3.22   0.782% *  0.0439% (0.40   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 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 = 4.26, residual support = 85.2:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.01  74.879% * 99.0994% (0.78  10.0 10.00   4.26  85.37) =  99.837%  kept
          QD2   LEU   80 - HB    VAL   83   4.39 +/- 1.48  20.555% *  0.5806% (0.72   1.0  1.00   0.13   0.14) =   0.161%  kept
          QG2   ILE   89 - HB    VAL   83   6.76 +/- 0.76   2.607% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   83  10.69 +/- 3.26   1.119% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB    VAL   83  15.32 +/- 2.48   0.319% *  0.1103% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  14.54 +/- 3.00   0.339% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  16.63 +/- 1.79   0.182% *  0.0873% (0.69   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 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.41, residual support = 85.3:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.01  91.136% * 98.3751% (0.90  10.0 10.00   4.42  85.37) =  99.878%  kept
          QD1   ILE   89 - HB    VAL   83   6.39 +/- 1.46   6.945% *  1.5534% (0.80   1.0  1.00   0.35   0.02) =   0.120%  kept
          QD2   LEU   31 - HB    VAL   83  11.69 +/- 4.97   1.919% *  0.0714% (0.65   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.18, residual support = 85.4:
    * O T HA    VAL   83 - QG1   VAL   83   2.24 +/- 0.23  98.424% * 99.7372% (0.87  10.0 10.00   4.18  85.37) =  99.999%  kept
          HA    GLU- 100 - QG1   VAL   83  14.58 +/- 2.54   0.521% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG1   VAL   83  17.85 +/- 2.78   0.273% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  15.78 +/- 2.32   0.436% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  17.08 +/- 3.56   0.347% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.26, residual support = 85.4:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.01  86.051% * 99.3915% (0.78  10.0 10.00   4.26  85.37) =  99.986%  kept
          HB2   LYS+ 121 - QG1   VAL   83  18.05 +/- 4.99   5.804% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          HD2   LYS+  74 - QG1   VAL   83  10.64 +/- 2.90   4.013% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.004%
          QD    LYS+  65 - QG1   VAL   83  14.47 +/- 3.44   1.254% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - QG1   VAL   83  13.49 +/- 2.81   0.722% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  14.76 +/- 2.80   0.429% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  17.06 +/- 3.23   0.239% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  13.71 +/- 1.93   0.485% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  14.45 +/- 3.98   0.455% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  19.45 +/- 2.77   0.136% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  21.76 +/- 4.12   0.237% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  22.63 +/- 4.05   0.176% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 4.57, residual support = 84.4:
    * O T QG2   VAL   83 - QG1   VAL   83   2.06 +/- 0.06  87.910% * 86.3085% (0.87  10.0 10.00   4.62  85.37) =  98.822%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.68 +/- 0.97   6.611% * 13.6289% (0.78   1.0 10.00   0.35   0.02) =   1.174%  kept
          QD2   LEU   31 - QG1   VAL   83   9.01 +/- 4.61   5.479% *  0.0627% (0.63   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 85.4:
    * O T HA    VAL   83 - QG2   VAL   83   2.85 +/- 0.37  96.270% * 99.7372% (1.00  10.0 10.00   4.34  85.37) =  99.997%  kept
          HA    GLU- 100 - QG2   VAL   83  14.73 +/- 2.08   0.919% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG2   VAL   83  16.55 +/- 2.47   0.728% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QG2   VAL   83  14.28 +/- 2.40   1.548% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG2   VAL   83  17.29 +/- 2.85   0.535% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.42, residual support = 85.4:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.01  91.714% * 99.3915% (0.90  10.0 10.00   4.42  85.37) =  99.993%  kept
          QD    LYS+  65 - QG2   VAL   83  13.47 +/- 3.45   1.913% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - QG2   VAL   83  10.07 +/- 2.38   1.923% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - QG2   VAL   83  17.10 +/- 4.19   1.204% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QG2   VAL   83  13.71 +/- 2.65   0.652% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  13.22 +/- 2.79   0.710% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  12.11 +/- 1.85   0.806% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  17.19 +/- 2.56   0.218% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  17.96 +/- 2.58   0.186% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  14.86 +/- 3.03   0.368% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  20.76 +/- 3.33   0.168% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  21.64 +/- 3.30   0.138% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 4.58, residual support = 84.7:
    * O T QG1   VAL   83 - QG2   VAL   83   2.06 +/- 0.06  67.447% * 94.2275% (0.87  10.0 10.00   4.62  85.37) =  99.223%  kept
        T QG2   ILE   89 - QG2   VAL   83   4.64 +/- 0.82   7.615% *  4.9432% (0.25   1.0 10.00   0.36   0.02) =   0.588%  kept
          QD2   LEU   80 - QG2   VAL   83   4.23 +/- 1.31  21.556% *  0.5521% (0.80   1.0  1.00   0.13   0.14) =   0.186%  kept
          QD1   LEU   73 - QG2   VAL   83   8.49 +/- 2.70   1.816% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QG2   VAL   83  11.74 +/- 2.01   0.621% *  0.1048% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - QG2   VAL   83  11.23 +/- 2.39   0.631% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  12.96 +/- 1.51   0.314% *  0.0830% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.73, residual support = 17.5:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.02  90.779% * 99.1332% (0.93  10.0 10.00   2.74  17.49) =  99.993%  kept
          HB3   LEU   80 - HA    ALA   84   6.67 +/- 1.21   3.778% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HA    ALA   84  11.79 +/- 2.12   0.971% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    ALA   84  12.70 +/- 2.34   0.700% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    ALA   84  11.53 +/- 1.48   0.729% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ALA   84  12.15 +/- 2.42   0.816% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  16.72 +/- 1.56   0.204% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  18.47 +/- 4.98   0.243% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  17.86 +/- 3.30   0.205% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  14.37 +/- 2.49   0.383% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  24.61 +/- 2.73   0.075% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  18.33 +/- 3.54   0.229% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  14.81 +/- 1.24   0.284% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  18.99 +/- 2.65   0.157% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  19.05 +/- 3.95   0.230% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  19.68 +/- 2.62   0.155% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  25.04 +/- 2.24   0.061% *  0.0180% (0.17   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 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.74, residual support = 17.5:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.02  98.290% * 99.6067% (0.93  10.0 10.00   2.74  17.49) =  99.998%  kept
          HB2   TRP   49 - QB    ALA   84  13.52 +/- 3.23   0.597% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QB    ALA   84  12.94 +/- 2.66   0.680% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - QB    ALA   84  17.35 +/- 2.29   0.230% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  17.53 +/- 1.83   0.203% *  0.1012% (0.95   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 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   2.43 +/- 0.09  51.921% * 98.0072% (1.00  10.0 10.00   2.26  18.03) =  99.958%  kept
          HA    ALA   88 - HA    SER   85   2.74 +/- 0.85  44.603% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.024%
        T QB    SER   48 - HA    SER   85  14.31 +/- 4.38   1.246% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.015%
        T HD2   PRO   52 - HA    SER   85  19.07 +/- 3.22   0.133% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   85  10.23 +/- 1.51   0.889% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA2   GLY   51 - HA    SER   85  21.32 +/- 3.30   0.093% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    SER   85  20.31 +/- 2.90   0.118% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  23.17 +/- 3.38   0.092% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  28.74 +/- 5.93   0.085% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  16.27 +/- 4.32   0.585% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  26.61 +/- 2.88   0.056% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  25.73 +/- 4.21   0.108% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  24.42 +/- 5.32   0.070% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.43 +/- 0.09  64.389% * 91.4191% (1.00  10.0 10.00   2.26  18.03) =  98.708%  kept
          HA    ASP-  86 - QB    SER   85   4.00 +/- 0.18  15.190% *  4.9650% (0.38   1.0  1.00   2.89  13.45) =   1.265%  kept
        T HA    SER   85 - QB    SER   48  14.31 +/- 4.38   1.708% *  0.2229% (0.24   1.0 10.00   0.02   0.02) =   0.006%
        T HA    ILE  103 - QB    SER   85  15.77 +/- 2.37   0.354% *  0.8961% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T HA1   GLY   51 - QB    SER   48   8.45 +/- 1.01   2.029% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.004%
          HB    THR   77 - QB    SER   48   9.65 +/- 4.43   5.733% *  0.0223% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QB    SER   85  11.07 +/- 2.44   1.019% *  0.0914% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER   85  19.62 +/- 3.25   0.157% *  0.4450% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85  10.60 +/- 1.02   1.050% *  0.0628% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER  117  15.43 +/- 3.32   0.435% *  0.1383% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER   48  19.84 +/- 3.95   0.255% *  0.2185% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   85  22.77 +/- 2.30   0.086% *  0.5545% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    SER   85  13.90 +/- 1.14   0.374% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   48  22.40 +/- 4.81   0.201% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48  11.86 +/- 4.24   1.599% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  20.31 +/- 2.90   0.135% *  0.1411% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.02 +/- 1.26   0.630% *  0.0221% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.01 +/- 2.14   0.183% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  22.14 +/- 3.79   0.121% *  0.0856% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.52 +/- 3.60   1.762% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.82 +/- 1.85   0.440% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.65 +/- 3.81   0.547% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  32.45 +/- 5.19   0.034% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  30.07 +/- 7.32   0.137% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.73 +/- 2.53   0.130% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  19.14 +/- 2.91   0.183% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  26.65 +/- 3.79   0.066% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  31.03 +/- 4.16   0.037% *  0.0376% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.58 +/- 1.15   0.408% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  22.79 +/- 2.73   0.104% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  21.02 +/- 3.40   0.188% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  28.63 +/- 6.33   0.083% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  24.59 +/- 5.02   0.103% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  33.88 +/- 4.18   0.028% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  26.74 +/- 3.44   0.065% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  31.68 +/- 3.74   0.035% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (3.96, 3.96, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER   85 - QB    SER   85  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.15)  kept
          QB    SER  117 - QB    SER  117  (0.02)  kept
 
    Peak 1007 (4.30, 4.30, 57.50 ppm):
    1 diagonal assignment:
    *     HA    ASP-  86 - HA    ASP-  86  (1.00)  kept
 
    Peak 1008 (2.94, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.56, residual support = 42.5:
    * O T HB2   ASP-  86 - HA    ASP-  86   2.98 +/- 0.09  94.995% * 99.6568% (1.00  10.0 10.00   3.56  42.54) =  99.998%  kept
          HB2   ASN   28 - HA    ASP-  86  19.28 +/- 7.53   0.977% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASP-  86  15.06 +/- 2.34   2.830% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASP-  86  21.86 +/- 4.00   0.531% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    ASP-  86  23.96 +/- 5.92   0.318% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  21.26 +/- 4.01   0.350% *  0.0685% (0.69   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 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 +/- 0.15  95.282% * 98.9853% (1.00  10.0 10.00   2.31  42.54) =  99.996%  kept
        T HB3   ASP-  62 - HA    ASP-  86  22.34 +/- 3.43   0.303% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HG3   MET   96 - HA    ASP-  86  11.32 +/- 1.39   1.549% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    ASP-  86  12.59 +/- 1.16   1.043% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    ASP-  86  22.39 +/- 7.16   0.372% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  16.40 +/- 2.56   1.011% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  20.64 +/- 3.29   0.308% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  26.89 +/- 5.07   0.133% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.995, support = 3.55, residual support = 42.3:
    * O T HA    ASP-  86 - HB2   ASP-  86   2.98 +/- 0.09  82.357% * 94.7259% (1.00  10.0 10.00   3.56  42.54) =  99.253%  kept
          HA    SER   85 - HB2   ASP-  86   5.69 +/- 0.21  12.019% *  4.8665% (0.38   1.0  1.00   2.74  13.45) =   0.744%  kept
          HB    THR   77 - HB2   ASP-  86  12.00 +/- 2.32   1.824% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   ASP-  86  12.28 +/- 1.40   1.392% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB2   ASP-  86  16.64 +/- 2.93   0.704% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB2   ASP-  86  25.76 +/- 4.88   0.344% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  13.50 +/- 2.23   1.139% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  30.83 +/- 5.27   0.122% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  32.58 +/- 6.29   0.100% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 42.5:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  97.793% * 99.6638% (1.00  10.0 10.00   2.85  42.54) =  99.999%  kept
          HG3   MET   96 - HB2   ASP-  86   9.63 +/- 1.83   0.856% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   ASP-  86  10.64 +/- 1.54   0.531% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  20.59 +/- 6.63   0.126% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  19.94 +/- 3.45   0.138% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  14.87 +/- 2.47   0.408% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  19.23 +/- 3.12   0.103% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  25.20 +/- 4.82   0.045% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 2.31, residual support = 42.4:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.70 +/- 0.15  87.258% * 94.7254% (1.00  10.0 10.00   2.31  42.54) =  99.505%  kept
          HA    SER   85 - HB3   ASP-  86   6.01 +/- 0.38   8.408% *  4.8669% (0.38   1.0  1.00   2.74  13.45) =   0.493%  kept
          HB    THR   77 - HB3   ASP-  86  12.69 +/- 2.48   1.335% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB3   ASP-  86  16.95 +/- 3.04   0.658% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   ASP-  86  12.89 +/- 1.49   0.971% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  13.76 +/- 2.20   1.014% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  26.02 +/- 5.02   0.202% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  31.04 +/- 5.45   0.083% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  32.74 +/- 6.50   0.072% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  97.072% * 99.6568% (1.00  10.0 10.00   2.85  42.54) =  99.999%  kept
          HB2   ASP-  78 - HB3   ASP-  86  13.62 +/- 2.51   2.223% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  86  17.34 +/- 7.50   0.338% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  20.13 +/- 3.87   0.192% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  22.37 +/- 5.79   0.080% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  19.62 +/- 4.00   0.095% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HB2   TRP   87 - HA    TRP   87   2.33 +/- 0.17  99.751% * 99.9010% (1.00  10.0 10.00   4.31  70.64) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  18.53 +/- 1.85   0.249% *  0.0990% (0.99   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 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   2.95 +/- 0.12  99.294% * 99.8563% (1.00  10.0 10.00   4.31  70.64) = 100.000%  kept
          HG3   GLN  116 - HA    TRP   87  22.55 +/- 2.06   0.242% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    TRP   87  22.09 +/- 5.87   0.464% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.33 +/- 0.17  98.534% * 99.8808% (1.00  10.0 10.00   4.31  70.64) =  99.999%  kept
          HA    LEU  104 - HB2   TRP   87  13.51 +/- 2.29   0.992% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  17.51 +/- 2.67   0.321% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  26.01 +/- 4.65   0.153% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.6:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00  99.851% * 99.8563% (1.00  10.0 10.00   4.00  70.64) = 100.000%  kept
          HG3   GLN  116 - HB2   TRP   87  20.93 +/- 1.91   0.064% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   TRP   87  21.88 +/- 5.21   0.085% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HA    TRP   87 - HB3   TRP   87   2.95 +/- 0.12  98.031% * 99.3033% (1.00  10.0 10.00   4.31  70.64) =  99.995%  kept
        T HA    PHE   59 - HB3   TRP   87  17.18 +/- 2.39   0.625% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU  104 - HB3   TRP   87  14.35 +/- 2.23   1.071% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  25.96 +/- 4.19   0.273% *  0.0134% (0.14   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 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  99.853% * 99.9010% (1.00  10.0 10.00   4.00  70.64) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  16.24 +/- 2.00   0.147% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.33, residual support = 12.1:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  97.045% * 99.6403% (1.00  10.0 10.00   2.33  12.06) =  99.998%  kept
          QG2   THR   77 - HA    ALA   88  10.97 +/- 3.45   1.495% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    ALA   88  21.44 +/- 3.33   0.233% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  11.60 +/- 1.24   0.671% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  17.80 +/- 3.90   0.238% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  21.54 +/- 5.17   0.148% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  27.46 +/- 2.32   0.050% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  20.33 +/- 1.57   0.120% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.33, residual support = 12.1:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  88.469% * 97.3461% (1.00  10.0 10.00   2.33  12.06) =  99.952%  kept
        T HA    SER   48 - QB    ALA   88  14.38 +/- 3.76   3.580% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.037%
        T HB2   SER   82 - QB    ALA   88  10.41 +/- 0.58   0.792% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T HD2   PRO   52 - QB    ALA   88  15.72 +/- 2.76   0.355% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.004%
          QB    SER   85 - QB    ALA   88   5.34 +/- 0.42   6.061% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   32 - QB    ALA   88  20.70 +/- 3.82   0.130% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  20.10 +/- 3.12   0.129% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  20.99 +/- 3.65   0.121% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  19.72 +/- 2.93   0.144% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  24.31 +/- 4.53   0.133% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  22.35 +/- 2.63   0.086% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 216.5:
    * O T HB    ILE   89 - HA    ILE   89   2.87 +/- 0.18  91.732% * 99.6008% (0.80  10.0 10.00   5.44 216.49) =  99.988%  kept
        T HB    VAL   43 - HA    ILE   89   9.64 +/- 1.57   3.547% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.011%
          QD    LYS+  81 - HA    ILE   89  10.70 +/- 1.70   2.344% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    ILE   89  13.39 +/- 2.13   1.226% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  18.61 +/- 2.50   0.623% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  18.38 +/- 2.15   0.529% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 216.5:
    * O T QG2   ILE   89 - HA    ILE   89   2.47 +/- 0.26  97.038% * 99.9320% (1.00  10.0 10.00   6.45 216.49) =  99.999%  kept
          QG1   VAL   83 - HA    ILE   89   8.75 +/- 0.70   2.415% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    ILE   89  14.81 +/- 1.68   0.547% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 216.5:
    * O T HG12  ILE   89 - HA    ILE   89   2.80 +/- 0.53  94.875% * 99.3078% (1.00  10.0 10.00   5.78 216.49) =  99.994%  kept
        T HG3   LYS+  99 - HA    ILE   89  20.36 +/- 2.85   0.606% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HA    ILE   89  13.89 +/- 3.50   2.106% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    ILE   89  15.57 +/- 2.56   0.689% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  16.31 +/- 3.77   0.925% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  22.29 +/- 3.04   0.252% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  21.51 +/- 3.05   0.298% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  22.06 +/- 2.79   0.249% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 216.5:
    * O T HA    ILE   89 - HB    ILE   89   2.87 +/- 0.18  86.962% * 99.2091% (0.80  10.0 10.00   5.44 216.49) =  99.988%  kept
        T HA    ILE   89 - HB    VAL   43   9.64 +/- 1.57   3.362% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.008%
          HB3   SER   82 - HB    ILE   89  10.66 +/- 1.44   2.173% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - HB    ILE   89  15.74 +/- 2.63   0.644% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HB    ILE   89  21.48 +/- 1.70   0.230% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  13.75 +/- 2.77   1.093% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  14.05 +/- 1.27   0.851% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  25.88 +/- 4.09   0.181% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  13.35 +/- 1.84   1.033% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  24.62 +/- 2.04   0.154% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  15.71 +/- 2.62   0.654% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  19.65 +/- 3.86   0.524% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  17.30 +/- 1.23   0.439% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  21.14 +/- 2.73   0.271% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  14.39 +/- 2.60   0.960% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  17.51 +/- 1.89   0.467% *  0.0043% (0.03   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 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.92, residual support = 216.5:
    * O T QG2   ILE   89 - HB    ILE   89   2.11 +/- 0.02  84.342% * 99.5317% (0.80  10.0 10.00   5.92 216.49) =  99.986%  kept
        T QG2   ILE   89 - HB    VAL   43   6.56 +/- 0.89   3.423% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU  104 - HB    VAL   43  10.08 +/- 2.53   5.037% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB    ILE   89   7.14 +/- 0.87   2.484% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  104 - HB    ILE   89  14.39 +/- 1.85   0.342% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB    VAL   43   7.14 +/- 1.98   4.373% *  0.0114% (0.09   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 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.18, residual support = 216.4:
    * O T HG12  ILE   89 - HB    ILE   89   2.71 +/- 0.17  83.611% * 98.9436% (0.80  10.0 10.00   5.18 216.49) =  99.980%  kept
        T HG12  ILE   89 - HB    VAL   43   8.17 +/- 1.43   4.684% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   LYS+  99 - HB    ILE   89  19.52 +/- 3.21   0.825% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HB    ILE   89  15.14 +/- 3.52   0.830% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    VAL   43  14.13 +/- 1.26   0.696% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    ILE   89  13.95 +/- 2.77   0.897% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.30 +/- 2.44   2.990% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  16.82 +/- 3.36   0.542% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  20.98 +/- 3.12   0.227% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  13.42 +/- 2.72   1.025% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  20.22 +/- 3.00   0.290% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  12.74 +/- 2.57   1.238% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  18.11 +/- 2.68   0.355% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  20.68 +/- 3.18   0.225% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  13.44 +/- 3.59   1.004% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  16.87 +/- 2.99   0.561% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 216.5:
    * O T HA    ILE   89 - QG2   ILE   89   2.47 +/- 0.26  94.576% * 99.5272% (1.00  10.0 10.00   6.45 216.49) =  99.996%  kept
          HB3   SER   82 - QG2   ILE   89   9.33 +/- 0.81   2.250% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   ILE   89  12.17 +/- 1.96   1.069% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QG2   ILE   89  17.65 +/- 1.12   0.293% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  21.09 +/- 3.20   0.245% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  12.41 +/- 2.13   1.027% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  20.28 +/- 1.23   0.189% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  17.30 +/- 1.93   0.350% *  0.0154% (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 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.92, residual support = 216.5:
    * O T HB    ILE   89 - QG2   ILE   89   2.11 +/- 0.02  91.771% * 99.0138% (0.80  10.0 10.00   5.92 216.49) =  99.984%  kept
        T HB    VAL   43 - QG2   ILE   89   6.56 +/- 0.89   3.722% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   LYS+  99 - QG2   ILE   89  14.89 +/- 2.03   0.526% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  99 - QG2   ILE   89  14.61 +/- 1.71   0.406% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   ILE   89   8.08 +/- 1.68   2.294% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QG2   ILE   89  10.19 +/- 1.81   1.281% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.29, residual support = 216.5:
    * O T HG12  ILE   89 - QG2   ILE   89   3.08 +/- 0.17  86.208% * 99.3078% (1.00  10.0 10.00   6.29 216.49) =  99.983%  kept
        T HG3   LYS+  99 - QG2   ILE   89  16.29 +/- 2.30   1.685% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.008%
          HG3   LYS+ 111 - QG2   ILE   89  11.77 +/- 3.06   4.483% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HG2   LYS+  74 - QG2   ILE   89  10.87 +/- 2.14   2.811% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QG2   ILE   89  12.92 +/- 3.06   2.805% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QG2   ILE   89  17.06 +/- 2.01   0.638% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  16.38 +/- 1.90   0.699% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  16.63 +/- 2.46   0.670% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 216.4:
    * O T HA    ILE   89 - HG12  ILE   89   2.80 +/- 0.53  76.534% * 98.5945% (1.00  10.0 10.00   5.78 216.49) =  99.974%  kept
        T HB    THR   39 - HG3   LYS+  99  12.93 +/- 6.15   2.267% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.012%
          HB3   SER   37 - HG3   LYS+  99  14.78 +/- 7.10  12.007% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.006%
        T HA    ILE   89 - HG3   LYS+  99  20.36 +/- 2.85   0.493% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HB3   SER   82 - HG12  ILE   89  11.33 +/- 1.45   1.962% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   13 - HG3   LYS+  99  20.00 +/- 7.05   2.934% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HG12  ILE   89  15.21 +/- 3.27   0.655% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HG12  ILE   89  21.11 +/- 1.91   0.229% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  18.15 +/- 3.69   0.558% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  24.32 +/- 2.44   0.160% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  25.84 +/- 4.15   0.150% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  16.05 +/- 2.36   0.649% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  23.04 +/- 3.68   0.241% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  21.16 +/- 2.40   0.241% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  27.54 +/- 4.77   0.437% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  16.91 +/- 3.22   0.482% *  0.0062% (0.06   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 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 5.25, residual support = 206.3:
    * O T HB    ILE   89 - HG12  ILE   89   2.71 +/- 0.17  29.291% * 78.0851% (0.80  10.0 10.00   5.18 216.49) =  75.822%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.58 +/- 0.30  36.547% * 14.8429% (0.15  10.0  1.00   5.16 174.65) =  17.983%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.75 +/- 0.29  30.541% *  6.1021% (0.06  10.0 10.00   6.44 174.65) =   6.178%  kept
        T HB    VAL   43 - HG12  ILE   89   8.17 +/- 1.43   1.565% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.011%
        T HB    ILE   89 - HG3   LYS+  99  19.52 +/- 3.21   0.326% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  99 - HG12  ILE   89  16.96 +/- 2.41   0.160% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   43 - HG3   LYS+  99  14.13 +/- 1.26   0.219% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG12  ILE   89  10.48 +/- 1.62   0.675% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.83 +/- 2.34   0.097% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.44 +/- 2.19   0.318% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.17 +/- 2.69   0.176% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  23.78 +/- 3.76   0.086% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.27, residual support = 215.8:
    * O T QG2   ILE   89 - HG12  ILE   89   3.08 +/- 0.17  58.462% * 98.9349% (1.00  10.0 10.00   6.29 216.49) =  99.657%  kept
          QD1   LEU  104 - HG3   LYS+  99   4.29 +/- 1.56  33.174% *  0.5754% (0.06   1.0  1.00   1.86  18.82) =   0.329%  kept
        T QG2   ILE   89 - HG3   LYS+  99  16.29 +/- 2.30   1.248% *  0.4012% (0.41   1.0 10.00   0.02   0.02) =   0.009%
          QG1   VAL   83 - HG12  ILE   89   7.48 +/- 1.18   5.604% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - HG3   LYS+  99  15.34 +/- 2.74   0.774% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  13.80 +/- 1.97   0.738% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 89.3:
    * O T HB2   GLN   90 - HA    GLN   90   2.56 +/- 0.17  97.906% * 98.5005% (0.78  10.0 10.00   3.96  89.29) =  99.979%  kept
        T HB3   GLU-  79 - HA    GLN   90  13.05 +/- 3.71   1.685% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.020%
          HB3   GLU-  29 - HA    GLN   90  26.30 +/- 3.54   0.113% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  26.38 +/- 1.86   0.099% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  26.18 +/- 4.25   0.123% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  29.18 +/- 1.88   0.073% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 89.3:
    * O T HB3   GLN   90 - HA    GLN   90   2.65 +/- 0.28  86.118% * 99.0333% (0.82  10.0 10.00   3.96  89.29) =  99.986%  kept
          QB    LYS+  81 - HA    GLN   90   8.48 +/- 2.99   5.451% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.007%
          HB2   MET   92 - HA    GLN   90   8.04 +/- 0.40   3.415% *  0.0577% (0.48   1.0  1.00   0.02   0.11) =   0.002%
          QB    LYS+ 106 - HA    GLN   90  11.64 +/- 1.75   1.334% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    GLN   90  17.54 +/- 3.03   1.185% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    GLN   90  17.25 +/- 3.52   0.530% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    GLN   90  18.60 +/- 3.91   0.566% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  17.02 +/- 2.47   0.422% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  25.45 +/- 4.42   0.253% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  22.03 +/- 3.20   0.205% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  23.75 +/- 2.05   0.138% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  21.40 +/- 3.03   0.304% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  28.34 +/- 1.93   0.078% *  0.0990% (0.82   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.3, residual support = 89.3:
    * O T QG    GLN   90 - HA    GLN   90   2.91 +/- 0.51  92.856% * 99.3855% (0.88  10.0 10.00   3.30  89.29) =  99.996%  kept
          HB2   ASP-  44 - HA    GLN   90  13.65 +/- 1.73   1.251% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    GLN   90   8.83 +/- 0.90   4.363% *  0.0171% (0.15   1.0  1.00   0.02   0.11) =   0.001%
          HB3   PHE   72 - HA    GLN   90  19.37 +/- 2.13   0.435% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  19.16 +/- 1.82   0.422% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  25.82 +/- 3.65   0.179% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  26.56 +/- 3.85   0.172% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  32.31 +/- 4.20   0.121% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  25.24 +/- 3.77   0.200% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.3:
    * O T HA    GLN   90 - HB2   GLN   90   2.56 +/- 0.17  93.142% * 98.8405% (0.78  10.0 10.00   3.96  89.29) =  99.984%  kept
        T HA    GLN   90 - HB3   GLU-  79  13.05 +/- 3.71   1.603% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.012%
          HA    ALA  110 - HB2   GLN   90  13.34 +/- 3.73   2.586% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.003%
          HA    PHE   55 - HB2   GLN   90  20.09 +/- 3.48   0.266% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.01 +/- 4.05   0.358% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  14.79 +/- 1.26   0.565% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  17.98 +/- 1.30   0.293% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.70 +/- 2.20   0.197% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  14.38 +/- 2.62   0.692% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  19.08 +/- 2.31   0.297% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 89.3:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  92.132% * 96.7995% (0.67  10.0 10.00   3.98  89.29) =  99.991%  kept
        T HB3   GLN   90 - HB3   GLU-  79  14.85 +/- 3.74   0.352% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  81 - HB3   GLU-  79   6.94 +/- 1.03   1.917% *  0.0752% (0.52   1.0  1.00   0.02   1.30) =   0.002%
          QB    LYS+  81 - HB2   GLN   90   9.53 +/- 3.18   1.240% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HB2   GLN   90   8.61 +/- 0.77   0.850% *  0.0564% (0.39   1.0  1.00   0.02   0.11) =   0.001%
          HG2   ARG+  54 - HB3   GLU-  79  19.29 +/- 4.89   0.741% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  12.50 +/- 2.07   0.332% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  30.09 +/- 2.27   0.020% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  18.70 +/- 3.02   0.222% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  19.63 +/- 3.91   0.261% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  15.58 +/- 2.21   0.174% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  18.38 +/- 3.29   0.114% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  18.46 +/- 3.53   0.194% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  15.37 +/- 3.90   0.225% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  18.81 +/- 4.73   0.243% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  19.60 +/- 4.19   0.144% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  18.77 +/- 2.98   0.107% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  15.29 +/- 3.74   0.205% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  18.18 +/- 2.62   0.100% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  27.14 +/- 4.79   0.092% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  23.97 +/- 2.91   0.041% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  21.96 +/- 3.17   0.068% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  24.52 +/- 2.95   0.043% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  25.37 +/- 2.01   0.033% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  20.18 +/- 3.91   0.093% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.65 +/- 2.85   0.056% *  0.0358% (0.25   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 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 89.3:
    * O T QG    GLN   90 - HB2   GLN   90   2.38 +/- 0.13  92.647% * 96.7466% (0.72  10.0 10.00   3.61  89.29) =  99.986%  kept
        T QG    GLN   90 - HB3   GLU-  79  13.14 +/- 3.00   1.101% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.009%
        T QB    MET   11 - HB3   GLU-  79  24.90 +/- 4.67   0.165% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB3   GLU-  79  11.91 +/- 1.93   0.916% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HB3   GLU-  79  18.06 +/- 4.50   0.335% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   GLN   90  15.55 +/- 1.50   0.392% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   9.43 +/- 1.20   2.144% *  0.0166% (0.12   1.0  1.00   0.02   0.11) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.25 +/- 1.49   0.397% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  33.94 +/- 4.11   0.039% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  18.91 +/- 3.39   0.279% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  20.36 +/- 4.46   0.232% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  27.09 +/- 3.59   0.072% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  21.30 +/- 1.97   0.147% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  20.22 +/- 1.90   0.170% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  27.51 +/- 3.49   0.076% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  15.44 +/- 4.41   0.653% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  28.23 +/- 3.61   0.069% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  20.53 +/- 2.28   0.164% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.3:
    * O T HA    GLN   90 - HB3   GLN   90   2.65 +/- 0.28  95.974% * 99.7400% (0.82  10.0 10.00   3.96  89.29) =  99.997%  kept
          HA    ALA  110 - HB3   GLN   90  13.17 +/- 3.78   2.199% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   55 - HB3   GLN   90  20.13 +/- 3.24   0.310% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  17.33 +/- 1.35   0.370% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  13.77 +/- 2.57   1.147% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 89.3:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.508% * 98.2851% (0.67  10.0 10.00   3.98  89.29) =  99.995%  kept
        T HB3   GLU-  79 - HB3   GLN   90  14.85 +/- 3.74   0.381% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LYS+  38 - HB3   GLN   90  30.25 +/- 2.12   0.021% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  27.59 +/- 3.41   0.030% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  27.32 +/- 2.21   0.028% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  27.47 +/- 4.15   0.033% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.61, residual support = 89.3:
    * O T QG    GLN   90 - HB3   GLN   90   2.40 +/- 0.14  96.956% * 99.3855% (0.75  10.0 10.00   3.61  89.29) =  99.999%  kept
          HB2   ASP-  44 - HB3   GLN   90  15.22 +/- 1.50   0.425% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLN   90   9.87 +/- 1.36   1.964% *  0.0171% (0.13   1.0  1.00   0.02   0.11) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  20.85 +/- 2.18   0.167% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  19.89 +/- 2.13   0.188% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  27.18 +/- 3.54   0.082% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.91 +/- 3.57   0.076% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  33.66 +/- 4.22   0.049% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  26.57 +/- 3.63   0.093% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.3, residual support = 89.3:
    * O T HA    GLN   90 - QG    GLN   90   2.91 +/- 0.51  85.099% * 99.7400% (0.88  10.0 10.00   3.30  89.29) =  99.986%  kept
          HA    ALA  110 - QG    GLN   90  11.49 +/- 3.87  10.812% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.012%
          HA    PHE   55 - QG    GLN   90  17.86 +/- 2.98   0.588% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QG    GLN   90  14.99 +/- 1.58   0.934% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - QG    GLN   90  11.74 +/- 2.77   2.568% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 89.3:
    * O T HB2   GLN   90 - QG    GLN   90   2.38 +/- 0.13  98.415% * 97.8434% (0.72  10.0 10.00   3.61  89.29) =  99.985%  kept
        T HB3   GLU-  79 - QG    GLN   90  13.14 +/- 3.00   1.170% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   GLU-  29 - QG    GLN   90  23.94 +/- 3.48   0.116% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - QG    GLN   90  23.88 +/- 2.12   0.110% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  24.03 +/- 2.86   0.109% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  26.48 +/- 2.24   0.080% *  0.0242% (0.18   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 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.747, support = 3.59, residual support = 88.7:
    * O T HB3   GLN   90 - QG    GLN   90   2.40 +/- 0.14  86.578% * 87.2908% (0.75  10.0 10.00   3.61  89.29) =  99.378%  kept
        T HB2   MET   92 - QG    GLN   90   7.85 +/- 1.20   3.905% * 11.9080% (0.44   1.0 10.00   0.47   0.11) =   0.611%  kept
          QB    LYS+  81 - QG    GLN   90   8.58 +/- 2.72   4.726% *  0.0937% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+ 106 - QG    GLN   90  10.00 +/- 2.22   1.903% *  0.0965% (0.83   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QG    GLN   90  15.43 +/- 2.41   0.609% *  0.0676% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QG    GLN   90  15.95 +/- 2.81   0.408% *  0.0989% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG    GLN   90  23.43 +/- 4.23   0.519% *  0.0550% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  14.85 +/- 2.20   0.435% *  0.0592% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  17.75 +/- 3.15   0.322% *  0.0634% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  20.35 +/- 2.47   0.174% *  0.0676% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  21.62 +/- 1.90   0.130% *  0.0799% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  25.75 +/- 2.26   0.091% *  0.0873% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  19.69 +/- 2.05   0.201% *  0.0323% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.8:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.01  97.905% * 98.3255% (1.00  10.0 10.00   2.26  12.83) =  99.997%  kept
        T QG2   THR   39 - HA    ALA   91  21.58 +/- 2.31   0.114% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   91  12.07 +/- 2.86   1.018% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ALA   91  20.07 +/- 3.32   0.153% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  17.02 +/- 3.42   0.280% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  24.96 +/- 3.61   0.227% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.80 +/- 1.66   0.118% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  24.45 +/- 2.87   0.072% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  24.91 +/- 2.91   0.074% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.63 +/- 2.67   0.038% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.8:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.01  78.233% * 99.0540% (1.00  10.0 10.00   2.26  12.83) =  99.992%  kept
          HA    ALA  110 - QB    ALA   91   7.78 +/- 3.44  14.586% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL  107 - QB    ALA   91   9.76 +/- 2.40   1.489% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ALA   91 - QG2   THR   39  21.58 +/- 2.31   0.092% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   39  11.04 +/- 2.32   0.941% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QB    ALA   91  11.19 +/- 3.39   1.104% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.84 +/- 0.62   2.640% *  0.0096% (0.10   1.0  1.00   0.02   1.20) =   0.000%
        T HA    ALA   91 - QG2   THR   23  20.07 +/- 3.32   0.120% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  19.04 +/- 1.81   0.119% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  17.79 +/- 1.97   0.166% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  21.72 +/- 3.62   0.107% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  21.15 +/- 1.93   0.090% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  22.17 +/- 3.13   0.093% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.64 +/- 4.21   0.147% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  22.87 +/- 2.89   0.073% *  0.0021% (0.02   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 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   3.94 +/- 0.07 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.33) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HD2   PRO   93   3.94 +/- 0.14  58.781% * 99.2584% (0.73  10.0 10.00   5.40 132.33) =  99.958%  kept
          HB2   ARG+  54 - HD2   PRO   93  12.51 +/- 4.51  14.600% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.022%
          HG3   PRO   52 - HD2   PRO   93   9.71 +/- 4.35  16.435% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.009%
          HB    VAL  108 - HD2   PRO   93  10.31 +/- 2.40   5.284% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.007%
        T HG3   GLN   30 - HD2   PRO   93  22.69 +/- 2.58   0.389% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HD2   PRO   93  15.26 +/- 2.63   1.251% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD2   PRO   93  13.93 +/- 3.72   2.235% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   PRO   93  22.15 +/- 2.26   0.434% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.30 +/- 2.61   0.321% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  28.97 +/- 3.16   0.171% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  36.28 +/- 4.65   0.099% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HG2   PRO   93 - HD2   PRO   93   2.53 +/- 0.29  90.465% * 99.4388% (0.73  10.0 10.00   4.00 132.33) =  99.995%  kept
          HB3   PRO   52 - HD2   PRO   93   9.45 +/- 4.20   5.845% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HD2   PRO   93  15.32 +/- 2.75   0.907% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD2   PRO   93  16.58 +/- 2.84   0.765% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   93  18.51 +/- 2.69   0.855% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HD2   PRO   93  20.47 +/- 1.57   0.225% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  21.87 +/- 3.23   0.248% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.85 +/- 1.68   0.319% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  19.79 +/- 2.11   0.218% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  24.27 +/- 4.02   0.151% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  94.139% * 98.6805% (0.65  10.0 10.00   4.00 132.33) =  99.991%  kept
        T HD3   PRO   68 - HD2   PRO   93  20.71 +/- 4.29   0.323% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - HD2   PRO   93   9.86 +/- 4.27   1.913% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HD2   PRO   93  13.70 +/- 4.12   1.438% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - HD2   PRO   93   9.71 +/- 3.84   1.648% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HD2   PRO   93  12.08 +/- 3.48   0.540% *  0.0579% (0.38   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 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   3.83 +/- 0.07  92.477% * 99.8223% (0.90  10.0 10.00   5.31 132.33) =  99.986%  kept
        T HA    PRO   93 - HD3   PRO   68  18.07 +/- 3.80   7.523% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.014%
    Distance limit 4.12 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   3.87 +/- 0.26  50.717% * 96.1768% (0.90  10.0 10.00   5.40 132.33) =  99.356%  kept
          HG3   PRO   52 - HD3   PRO   93   9.33 +/- 4.92  20.997% *  1.1490% (0.28   1.0  1.00   0.77   0.02) =   0.491%  kept
        T HB2   ARG+  54 - HD3   PRO   93  11.90 +/- 4.50   7.380% *  0.8343% (0.78   1.0 10.00   0.02   0.02) =   0.125%  kept
        T HB2   PRO   93 - HD3   PRO   68  18.21 +/- 3.84   1.906% *  0.1712% (0.16   1.0 10.00   0.02   0.02) =   0.007%
          HB    VAL  108 - HD3   PRO   93  11.21 +/- 2.30   3.621% *  0.0770% (0.72   1.0  1.00   0.02   0.02) =   0.006%
        T HB2   ARG+  54 - HD3   PRO   68  20.13 +/- 4.16   1.274% *  0.1485% (0.14   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLU-  14 - HD3   PRO   68  15.82 +/- 3.63   1.379% *  0.0642% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HD3   PRO   93  22.52 +/- 2.57   0.310% *  0.2674% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HD3   PRO   68  15.48 +/- 2.75   1.482% *  0.0476% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   93  15.40 +/- 2.58   1.106% *  0.0545% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  13.77 +/- 3.47   1.934% *  0.0297% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD3   PRO   93  28.91 +/- 3.08   0.129% *  0.3610% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   93  36.15 +/- 4.60   0.091% *  0.3954% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   68  23.13 +/- 3.76   0.359% *  0.0704% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HD3   PRO   68  19.92 +/- 5.58   2.884% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  22.01 +/- 2.20   0.329% *  0.0545% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  15.80 +/- 2.49   1.189% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  26.76 +/- 2.78   0.245% *  0.0468% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  16.94 +/- 4.36   1.108% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  22.17 +/- 3.89   0.414% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.91 +/- 2.01   0.648% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  22.34 +/- 3.59   0.497% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.887, support = 3.95, residual support = 130.3:
    * O T HG2   PRO   93 - HD3   PRO   93   2.67 +/- 0.30  53.447% * 92.8831% (0.90  10.0 10.00   4.00 132.33) =  98.491%  kept
        T HB3   PRO   52 - HD3   PRO   93   9.16 +/- 4.56   9.926% *  5.2605% (0.28   1.0 10.00   0.37   0.02) =   1.036%  kept
          QB    LYS+  66 - HD3   PRO   68   4.42 +/- 1.23  21.942% *  1.0712% (0.14   1.0  1.00   1.45   0.02) =   0.466%  kept
        T HG2   PRO   93 - HD3   PRO   68  19.59 +/- 4.24   0.385% *  0.1653% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   68   7.46 +/- 1.23   4.031% *  0.0138% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD3   PRO   93  16.48 +/- 3.01   0.435% *  0.0833% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   93  15.10 +/- 2.82   0.419% *  0.0776% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HD3   PRO   68  16.41 +/- 6.01   4.900% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  18.72 +/- 2.60   0.238% *  0.0674% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  10.54 +/- 1.38   1.194% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.82 +/- 3.29   0.180% *  0.0744% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  20.99 +/- 1.75   0.123% *  0.0857% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.42 +/- 1.83   0.192% *  0.0526% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  21.71 +/- 3.54   0.189% *  0.0510% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  18.89 +/- 3.70   0.392% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.20 +/- 2.02   0.475% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  19.82 +/- 2.09   0.155% *  0.0287% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  12.45 +/- 3.61   0.925% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.93 +/- 3.65   0.343% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  24.13 +/- 4.10   0.110% *  0.0258% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  98.465% * 99.5607% (0.65  10.0 10.00   4.00 132.33) =  99.998%  kept
          HA    THR   77 - HD3   PRO   93  12.03 +/- 4.64   0.677% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HD3   PRO   68  20.71 +/- 4.29   0.337% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HD3   PRO   93  20.53 +/- 2.40   0.072% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  18.02 +/- 3.91   0.338% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  18.61 +/- 2.41   0.110% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.3:
    * O T HB2   PRO   93 - HA    PRO   93   2.56 +/- 0.21  89.088% * 99.2584% (1.00  10.0 10.00   5.98 132.33) =  99.993%  kept
          HB    VAL  108 - HA    PRO   93  10.40 +/- 2.36   2.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HA    PRO   93  11.97 +/- 3.16   1.624% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   52 - HA    PRO   93   9.99 +/- 3.39   4.456% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HA    PRO   93  19.20 +/- 2.50   0.293% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    PRO   93  12.53 +/- 2.69   1.244% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  14.12 +/- 2.15   0.665% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.69 +/- 2.15   0.322% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  23.90 +/- 1.68   0.128% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  25.73 +/- 2.86   0.112% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  33.24 +/- 4.34   0.066% *  0.0408% (0.41   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 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.31, residual support = 132.2:
    * O T HG2   PRO   93 - HA    PRO   93   3.95 +/- 0.04  72.155% * 98.8514% (1.00  10.0 10.00   5.31 132.33) =  99.868%  kept
          HB3   PRO   52 - HA    PRO   93   9.85 +/- 2.91  13.446% *  0.6212% (0.31   1.0  1.00   0.41   0.02) =   0.117%  kept
          QB    LYS+  65 - HA    PRO   93  12.77 +/- 2.80   4.734% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - HA    PRO   93  14.33 +/- 2.53   2.438% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - HA    PRO   93  15.50 +/- 2.46   2.594% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HA    PRO   93  18.68 +/- 2.84   1.126% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    PRO   93  15.79 +/- 1.60   1.288% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    PRO   93  18.75 +/- 1.40   0.724% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   93  18.30 +/- 1.87   0.787% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  21.00 +/- 3.77   0.709% *  0.0275% (0.28   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 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   3.94 +/- 0.07  80.215% * 99.7770% (0.73  10.0 10.00   5.31 132.33) =  99.970%  kept
          HA    THR   77 - HA    PRO   93   9.77 +/- 4.21  18.697% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.029%
          HB2   TRP   27 - HA    PRO   93  17.50 +/- 2.23   1.088% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 132.1:
    * O T HD3   PRO   93 - HA    PRO   93   3.83 +/- 0.07  60.704% * 98.6805% (0.90  10.0 10.00   5.31 132.33) =  99.864%  kept
        T HD3   PRO   68 - HA    PRO   93  18.07 +/- 3.80   5.188% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.083%
          HB3   CYS   53 - HA    PRO   93   8.26 +/- 3.64  16.343% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.030%
          QB    PHE   55 - HA    PRO   93   9.64 +/- 2.67   8.681% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.013%
          HB2   PHE   59 - HA    PRO   93  10.01 +/- 2.87   6.598% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.006%
          HD2   ARG+  54 - HA    PRO   93  13.33 +/- 2.89   2.485% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.005%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.3:
    * O T HG2   PRO   93 - HB2   PRO   93   2.61 +/- 0.31  63.974% * 99.0260% (1.00  10.0 10.00   5.40 132.33) =  99.976%  kept
        T HB3   PRO   52 - HB2   PRO   93   9.22 +/- 2.83   3.368% *  0.3056% (0.31   1.0 10.00   0.02   0.02) =   0.016%
        T HB3   GLN   17 - HG3   GLN   30  10.06 +/- 2.49   6.013% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB2   PRO   93  12.89 +/- 2.31   0.841% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HG3   GLN   30  13.13 +/- 3.32  10.074% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   PRO   93  14.35 +/- 2.50   0.570% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   PRO   93  19.12 +/- 3.15   0.408% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HG3   GLN   30  10.23 +/- 3.62   5.684% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   PRO   93  16.16 +/- 2.50   0.406% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.32 +/- 1.77   0.323% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.05 +/- 1.63   0.187% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   GLN   30   9.61 +/- 3.62   2.765% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.04 +/- 2.70   0.135% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  17.08 +/- 2.17   0.262% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  22.09 +/- 6.82   3.120% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  14.41 +/- 2.97   0.892% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  21.56 +/- 3.76   0.165% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  17.84 +/- 3.75   0.360% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  17.40 +/- 3.13   0.355% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  24.32 +/- 4.03   0.097% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HD2   PRO   93 - HB2   PRO   93   3.94 +/- 0.14  72.925% * 99.6822% (0.73  10.0 10.00   5.40 132.33) =  99.984%  kept
          HA    THR   77 - HB2   PRO   93  11.37 +/- 3.73   7.315% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.012%
          HB2   TRP   27 - HG3   GLN   30   6.68 +/- 0.60  16.511% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB2   PRO   93  18.52 +/- 2.32   0.882% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HG3   GLN   30  22.69 +/- 2.58   0.487% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   77 - HG3   GLN   30  16.41 +/- 3.30   1.879% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.895, support = 5.39, residual support = 132.1:
    * O T HD3   PRO   93 - HB2   PRO   93   3.87 +/- 0.26  52.841% * 97.4649% (0.90  10.0 10.00   5.40 132.33) =  99.847%  kept
        T HD2   ARG+  54 - HB2   PRO   93  12.53 +/- 2.76   2.198% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.046%
          HB3   CYS   53 - HB2   PRO   93   8.13 +/- 3.55  17.772% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.037%
        T HD3   PRO   68 - HB2   PRO   93  18.21 +/- 3.84   1.987% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.036%
          QB    PHE   55 - HB2   PRO   93   8.53 +/- 2.81  10.899% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.018%
          HB2   PHE   59 - HB2   PRO   93   9.10 +/- 3.28   9.872% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.011%
        T HD3   PRO   68 - HG3   GLN   30  15.48 +/- 2.75   1.645% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   ARG+  54 - HG3   GLN   30  24.53 +/- 3.38   0.403% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HG3   GLN   30  22.52 +/- 2.57   0.331% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  20.84 +/- 2.79   0.547% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  18.19 +/- 3.18   1.011% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  21.14 +/- 2.97   0.496% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HA    PRO   93 - HG2   PRO   93   3.95 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.33) = 100.000%  kept
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HG2   PRO   93   2.61 +/- 0.31  80.815% * 98.7141% (1.00  10.0 10.00   5.40 132.33) =  99.947%  kept
        T HG3   PRO   52 - HG2   PRO   93   9.69 +/- 3.87   9.798% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.037%
        T HG2   PRO   58 - HG2   PRO   93  12.05 +/- 3.76   2.046% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.008%
          HB2   ARG+  54 - HG2   PRO   93  11.67 +/- 3.76   2.929% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  108 - HG2   PRO   93  10.17 +/- 2.42   2.757% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HG2   PRO   93  13.27 +/- 2.82   1.063% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   PRO   93  22.04 +/- 2.70   0.174% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG2   PRO   93  21.51 +/- 2.28   0.181% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  25.74 +/- 2.88   0.120% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  28.19 +/- 3.06   0.077% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  35.62 +/- 4.41   0.042% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HD2   PRO   93 - HG2   PRO   93   2.53 +/- 0.29  98.433% * 99.7770% (0.73  10.0 10.00   4.00 132.33) =  99.998%  kept
          HA    THR   77 - HG2   PRO   93  12.74 +/- 3.89   1.343% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HG2   PRO   93  20.40 +/- 2.17   0.224% *  0.0998% (0.73   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 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HG2   PRO   93   2.67 +/- 0.30  74.660% * 98.6805% (0.90  10.0 10.00   4.00 132.33) =  99.962%  kept
          HB3   CYS   53 - HG2   PRO   93   9.16 +/- 3.79   8.685% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.013%
          QB    PHE   55 - HG2   PRO   93   8.51 +/- 3.56  10.204% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.012%
        T HD3   PRO   68 - HG2   PRO   93  19.59 +/- 4.24   0.505% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.007%
          HD2   ARG+  54 - HG2   PRO   93  12.72 +/- 3.52   2.456% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   59 - HG2   PRO   93  10.25 +/- 3.60   3.490% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.81 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 = 24.5:
    * O T HB    THR   94 - HA    THR   94   3.03 +/- 0.07  89.479% * 99.2375% (0.84  10.0 10.00   2.43  24.53) =  99.991%  kept
          QB    SER   48 - HA    THR   94  12.41 +/- 1.43   1.534% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HA    THR   94  12.46 +/- 1.33   1.431% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - HA    THR   94  11.40 +/- 1.79   2.240% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HA    THR   94  14.68 +/- 1.90   1.031% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    THR   94  15.90 +/- 2.34   0.901% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    THR   94  16.49 +/- 1.61   0.600% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HA    THR   94  16.61 +/- 2.35   0.636% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HA    THR   94  12.04 +/- 1.78   1.851% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  23.50 +/- 4.25   0.298% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 24.5:
    * O T QG2   THR   94 - HA    THR   94   2.40 +/- 0.21  89.260% * 99.7175% (1.00  10.0 10.00   2.87  24.53) =  99.990%  kept
          HD2   LYS+ 112 - HA    THR   94  10.85 +/- 3.18   7.513% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          HB3   LYS+ 112 - HA    THR   94  10.63 +/- 2.29   2.102% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HA    THR   94  11.84 +/- 1.62   0.872% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  18.38 +/- 2.57   0.253% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 24.5:
    * O T HA    THR   94 - HB    THR   94   3.03 +/- 0.07  97.652% * 99.9751% (0.84  10.0 10.00   2.43  24.53) =  99.999%  kept
          HA    LYS+  74 - HB    THR   94  11.57 +/- 2.80   2.348% *  0.0249% (0.21   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 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 = 24.5:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  96.740% * 99.7175% (0.84  10.0 10.00   2.42  24.53) =  99.998%  kept
          HD2   LYS+ 112 - HB    THR   94  12.85 +/- 3.54   1.283% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HB    THR   94  12.74 +/- 2.74   0.994% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    THR   94  11.53 +/- 1.63   0.760% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  17.88 +/- 2.67   0.223% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 24.5:
    * O T HA    THR   94 - QG2   THR   94   2.40 +/- 0.21  98.308% * 99.9751% (1.00  10.0 10.00   2.87  24.53) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94  10.54 +/- 2.08   1.692% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.42, residual support = 24.5:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  93.058% * 99.2375% (0.84  10.0 10.00   2.42  24.53) =  99.994%  kept
          QB    SER   85 - QG2   THR   94   8.92 +/- 1.38   1.609% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - QG2   THR   94  10.56 +/- 1.47   1.147% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QG2   THR   94  13.81 +/- 2.26   0.627% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QG2   THR   94  13.43 +/- 2.23   0.661% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QG2   THR   94  10.71 +/- 1.41   0.940% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.05 +/- 1.26   0.295% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.69 +/- 2.15   0.352% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.16 +/- 1.80   1.075% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  19.55 +/- 3.98   0.236% *  0.0992% (0.84   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 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   3.01 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.43) = 100.000%  kept
    Distance limit 3.81 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   2.59 +/- 0.18  98.999% * 99.8670% (1.00  10.0 10.00   4.00  73.43) =  99.999%  kept
          HG2   GLN  116 - HA    PHE   95  13.22 +/- 1.31   0.823% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HA    PHE   95  21.74 +/- 1.80   0.178% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.4:
    * O T HA    PHE   95 - HB2   PHE   95   3.01 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.43) = 100.000%  kept
    Distance limit 3.90 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  99.541% * 99.8670% (1.00  10.0 10.00   3.31  73.43) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.31 +/- 1.27   0.415% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  23.57 +/- 1.91   0.044% *  0.0341% (0.34   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 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   2.59 +/- 0.18 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.43) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.4:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.43) = 100.000%  kept
    Distance limit 2.68 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 = 0.978, support = 4.99, residual support = 114.9:
    * O T HB2   MET   96 - HA    MET   96   2.84 +/- 0.24  86.584% * 95.8863% (0.98  10.0 10.00   5.00 115.43) =  99.554%  kept
          HB2   ASP- 105 - HA    MET   96   6.35 +/- 0.95   9.742% *  3.7886% (0.40   1.0  1.00   1.92   0.02) =   0.443%  kept
          HB    VAL   70 - HA    MET   96  13.19 +/- 2.42   1.240% *  0.0733% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    MET   96  13.99 +/- 2.00   0.919% *  0.0620% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   96  14.80 +/- 0.95   0.663% *  0.0696% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    MET   96  17.92 +/- 3.47   0.615% *  0.0659% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  21.92 +/- 2.64   0.237% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HB3   MET   96 - HA    MET   96   2.78 +/- 0.25  97.758% * 99.7402% (0.98  10.0 10.00   5.00 115.43) =  99.999%  kept
          HB2   LEU   40 - HA    MET   96  13.81 +/- 2.42   1.008% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    MET   96  22.99 +/- 4.04   0.482% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  18.37 +/- 2.93   0.653% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  31.95 +/- 5.37   0.100% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HA    MET   96   2.64 +/- 0.41  99.457% * 99.6261% (0.98  10.0 10.00   4.44 115.43) =  99.998%  kept
        T HB2   PRO   52 - HA    MET   96  16.36 +/- 2.39   0.543% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.594, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HA    MET   96   3.26 +/- 0.52  81.323% * 99.7437% (0.59  10.0 10.00   4.44 115.43) =  99.991%  kept
          HB3   TRP   87 - HA    MET   96   7.68 +/- 1.73  14.818% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.007%
          HB3   ASP-  62 - HA    MET   96  12.91 +/- 2.69   2.749% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HA    MET   96  23.09 +/- 2.63   0.298% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN  116 - HA    MET   96  15.96 +/- 1.28   0.812% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB2   MET   96   2.84 +/- 0.24  96.792% * 99.9773% (0.98  10.0 10.00   5.00 115.43) =  99.999%  kept
          HA    PHE   72 - HB2   MET   96  11.41 +/- 2.69   3.208% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.426% * 99.7402% (1.00  10.0 10.00   5.00 115.43) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  13.31 +/- 2.21   0.284% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  21.87 +/- 3.90   0.130% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  18.59 +/- 2.88   0.128% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  30.79 +/- 5.17   0.032% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HB2   MET   96   2.82 +/- 0.22  99.371% * 99.6261% (1.00  10.0 10.00   4.44 115.43) =  99.998%  kept
        T HB2   PRO   52 - HB2   MET   96  16.74 +/- 2.49   0.629% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB2   MET   96   2.61 +/- 0.32  90.893% * 99.7437% (0.61  10.0 10.00   4.44 115.43) =  99.996%  kept
          HB3   TRP   87 - HB2   MET   96   6.62 +/- 1.14   7.273% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HB2   MET   96  13.15 +/- 2.59   1.306% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB2   MET   96  22.09 +/- 2.47   0.184% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  17.43 +/- 1.17   0.344% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB3   MET   96   2.78 +/- 0.25  97.456% * 99.9773% (0.98  10.0 10.00   5.00 115.43) =  99.999%  kept
          HA    PHE   72 - HB3   MET   96  11.64 +/- 2.88   2.544% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  97.320% * 99.6213% (1.00  10.0 10.00   5.00 115.43) =  99.998%  kept
          HB2   ASP- 105 - HB3   MET   96   8.65 +/- 1.23   1.247% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HB3   MET   96  17.17 +/- 3.95   0.412% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  12.38 +/- 2.11   0.425% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  12.83 +/- 2.40   0.340% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  14.63 +/- 1.07   0.177% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  20.43 +/- 3.39   0.079% *  0.0564% (0.57   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 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   2.81 +/- 0.20  99.371% * 99.6261% (1.00  10.0 10.00   4.44 115.43) =  99.998%  kept
        T HB2   PRO   52 - HB3   MET   96  16.93 +/- 2.39   0.629% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB3   MET   96   2.70 +/- 0.27  84.649% * 99.7437% (0.61  10.0 10.00   4.44 115.43) =  99.993%  kept
          HB3   TRP   87 - HB3   MET   96   6.47 +/- 1.60  13.816% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP-  62 - HB3   MET   96  13.42 +/- 2.57   1.016% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  22.18 +/- 2.79   0.188% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  17.71 +/- 1.00   0.331% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HA    MET   96 - HG2   MET   96   2.64 +/- 0.41  97.637% * 99.6779% (0.98  10.0 10.00   4.44 115.43) =  99.998%  kept
        T HA    MET   96 - HB2   PRO   52  16.36 +/- 2.39   0.533% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   72 - HG2   MET   96  12.87 +/- 2.61   1.398% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  20.03 +/- 4.01   0.432% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 4.43, residual support = 115.2:
    * O T HB2   MET   96 - HG2   MET   96   2.82 +/- 0.22  84.959% * 96.9484% (1.00  10.0 10.00   4.44 115.43) =  99.797%  kept
          HB2   ASP- 105 - HG2   MET   96   7.71 +/- 1.21   6.986% *  2.3299% (0.41   1.0  1.00   1.17   0.02) =   0.197%  kept
        T HB2   MET   96 - HB2   PRO   52  16.74 +/- 2.49   0.537% *  0.2848% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HG2   MET   96  13.80 +/- 2.29   1.064% *  0.0741% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG2   MET   96  18.03 +/- 4.06   1.124% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   MET   96  14.01 +/- 2.79   1.185% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   MET   96  13.48 +/- 1.35   0.889% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   PRO   52  17.22 +/- 4.84   1.043% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  19.58 +/- 3.44   0.772% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  21.34 +/- 3.62   0.260% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  18.33 +/- 3.20   0.592% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  22.54 +/- 3.87   0.222% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  28.86 +/- 4.05   0.166% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  27.25 +/- 5.52   0.200% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.81 +/- 0.20  90.733% * 99.3732% (1.00  10.0 10.00   4.44 115.43) =  99.996%  kept
        T HB3   MET   96 - HB2   PRO   52  16.93 +/- 2.39   0.575% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   40 - HG2   MET   96  13.77 +/- 2.66   0.997% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG2   MET   96  22.70 +/- 4.67   0.726% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HB2   PRO   52   7.38 +/- 0.69   5.736% *  0.0073% (0.07   1.0  1.00   0.02   1.92) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  22.94 +/- 3.93   0.508% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.15 +/- 3.11   0.407% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  31.71 +/- 5.97   0.110% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  29.49 +/- 4.97   0.121% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  36.83 +/- 6.34   0.085% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.4:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  95.695% * 99.2819% (0.61  10.0 10.00   4.00 115.43) =  99.998%  kept
          HB3   TRP   87 - HG2   MET   96   7.21 +/- 1.79   2.620% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   MET   96 - HB2   PRO   52  18.10 +/- 2.58   0.106% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  14.53 +/- 2.85   0.260% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  14.55 +/- 2.98   0.278% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  13.01 +/- 3.58   0.757% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  22.33 +/- 3.03   0.055% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.18 +/- 1.39   0.090% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  17.84 +/- 3.31   0.122% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  32.58 +/- 3.66   0.017% *  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   3.26 +/- 0.52  95.754% * 99.9773% (0.59  10.0 10.00   4.44 115.43) =  99.999%  kept
          HA    PHE   72 - HG3   MET   96  12.37 +/- 3.10   4.246% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.37 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 = 0.607, support = 4.44, residual support = 115.4:
    * O T HB2   MET   96 - HG3   MET   96   2.61 +/- 0.32  92.308% * 99.6213% (0.61  10.0 10.00   4.44 115.43) =  99.995%  kept
          HB2   ASP- 105 - HG3   MET   96   8.65 +/- 0.95   3.155% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG3   MET   96  13.45 +/- 2.95   1.716% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG3   MET   96  13.51 +/- 2.38   0.989% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   MET   96  13.67 +/- 1.29   0.756% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG3   MET   96  17.73 +/- 4.27   0.776% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HG3   MET   96  20.85 +/- 3.91   0.299% *  0.0564% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG3   MET   96   2.70 +/- 0.27  97.256% * 99.7402% (0.61  10.0 10.00   4.44 115.43) =  99.998%  kept
          HB2   LEU   40 - HG3   MET   96  13.56 +/- 2.67   1.302% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG3   MET   96  22.29 +/- 4.87   0.856% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HG3   MET   96  20.06 +/- 3.42   0.445% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  31.30 +/- 5.97   0.141% *  0.0685% (0.42   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 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  99.890% * 99.6261% (0.61  10.0 10.00   4.00 115.43) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  18.10 +/- 2.58   0.110% *  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 = 62.3:
    * O T HB2   PHE   97 - HA    PHE   97   2.85 +/- 0.24  82.395% * 99.7149% (1.00  10.0 10.00   2.89  62.27) =  99.987%  kept
          QE    LYS+ 106 - HA    PHE   97   7.14 +/- 1.26   9.016% *  0.0724% (0.73   1.0  1.00   0.02  11.86) =   0.008%
          QE    LYS+  99 - HA    PHE   97   7.76 +/- 1.03   5.505% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB3   TRP   27 - HA    PHE   97  14.09 +/- 2.60   0.970% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    PHE   97  12.69 +/- 2.68   1.449% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    PHE   97  15.33 +/- 2.41   0.665% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.3:
    * O T HB3   PHE   97 - HA    PHE   97   2.71 +/- 0.24  94.928% * 99.7224% (0.95  10.0 10.00   3.44  62.27) =  99.996%  kept
          HB2   PRO   58 - HA    PHE   97  15.25 +/- 3.93   1.649% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU- 100 - HA    PHE   97  11.07 +/- 0.48   1.494% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    PHE   97  16.43 +/- 1.82   0.479% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  14.73 +/- 2.82   1.451% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.3:
    * O T HA    PHE   97 - HB2   PHE   97   2.85 +/- 0.24 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.27) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.3:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  98.587% * 99.7224% (0.95  10.0 10.00   3.31  62.27) =  99.999%  kept
          HB2   PRO   58 - HB2   PHE   97  15.44 +/- 4.47   0.522% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HB2   PHE   97  11.49 +/- 0.89   0.370% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  15.64 +/- 2.34   0.169% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  16.18 +/- 3.41   0.352% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.3:
    * O T HA    PHE   97 - HB3   PHE   97   2.71 +/- 0.24 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.27) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 3.31, residual support = 62.2:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  93.485% * 95.4013% (0.95  10.0 10.00   3.31  62.27) =  99.778%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.36 +/- 1.56   4.490% *  4.3952% (0.69   1.0  1.00   1.27  11.86) =   0.221%  kept
          QE    LYS+  99 - HB3   PHE   97   7.94 +/- 1.42   1.406% *  0.0392% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB3   PHE   97  16.08 +/- 2.49   0.163% *  0.0952% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  13.69 +/- 2.77   0.293% *  0.0502% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  16.17 +/- 2.91   0.163% *  0.0189% (0.19   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 1141 (2.36, 2.36, 40.60 ppm):
    1 diagonal assignment:
    *     HB3   PHE   97 - HB3   PHE   97  (0.89)  kept
 
    Peak 1142 (5.51, 5.51, 53.84 ppm):
    1 diagonal assignment:
    *     HA    LEU   98 - HA    LEU   98  (1.00)  kept
 
    Peak 1143 (1.41, 5.51, 53.84 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 76.9:
    * O T QB    LEU   98 - HA    LEU   98   2.24 +/- 0.14  90.939% * 99.2568% (0.87  10.0 10.00   4.97  76.88) =  99.995%  kept
          HD3   LYS+ 121 - HA    LEU   98  13.84 +/- 6.91   1.061% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    LEU   98  16.63 +/- 3.89   0.636% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LEU   98  16.15 +/- 3.05   0.568% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    LEU   98  17.41 +/- 4.34   1.113% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LEU   98   9.51 +/- 3.50   2.354% *  0.0226% (0.20   1.0  1.00   0.02   0.42) =   0.001%
          QB    ALA   61 - HA    LEU   98  14.55 +/- 3.12   0.911% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.83 +/- 3.27   0.326% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.84 +/- 1.28   0.234% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  14.00 +/- 3.50   0.737% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  22.77 +/- 4.97   0.186% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  16.56 +/- 3.17   0.331% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  15.78 +/- 3.76   0.401% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  18.86 +/- 2.63   0.202% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.936, support = 4.77, residual support = 70.6:
    *   T QD1   LEU   98 - HA    LEU   98   3.13 +/- 0.56  40.359% * 93.3137% (1.00 10.00   4.79  76.88) =  90.687%  kept
          QD2   LEU  104 - HA    LEU   98   2.63 +/- 0.93  58.304% *  6.6328% (0.31  1.00   4.61   9.76) =   9.312%  kept
          QG2   ILE   19 - HA    LEU   98  14.01 +/- 3.05   0.776% *  0.0350% (0.38  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    LEU   98  14.40 +/- 2.78   0.561% *  0.0185% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.24, residual support = 75.4:
    *   T QD2   LEU   98 - HA    LEU   98   3.46 +/- 0.67  72.305% * 90.1053% (1.00 10.00   4.31  76.88) =  97.203%  kept
          QG2   VAL   41 - HA    LEU   98   7.30 +/- 3.14  20.792% *  8.9566% (0.95  1.00   2.10  22.29) =   2.779%  kept
        T QD1   LEU   80 - HA    LEU   98  15.14 +/- 3.39   1.156% *  0.9011% (1.00 10.00   0.02   0.02) =   0.016%
          QD2   LEU   63 - HA    LEU   98  11.43 +/- 3.23   5.747% *  0.0370% (0.41  1.00   0.02   0.02) =   0.003%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (5.51, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.97, residual support = 76.9:
    * O T HA    LEU   98 - QB    LEU   98   2.24 +/- 0.14 100.000% *100.0000% (0.87  10.0 10.00   4.97  76.88) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (1.41, 1.41, 47.50 ppm):
    1 diagonal assignment:
    *     QB    LEU   98 - QB    LEU   98  (0.75)  kept
 
    Peak 1148 (0.71, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.858, support = 3.81, residual support = 75.9:
    * O T QD1   LEU   98 - QB    LEU   98   2.14 +/- 0.12  76.567% * 94.3238% (0.87  10.0 10.00   3.81  76.88) =  98.513%  kept
          QD2   LEU  104 - QB    LEU   98   3.83 +/- 0.83  21.093% *  5.1355% (0.27   1.0  1.00   3.53   9.76) =   1.478%  kept
        T QG2   ILE   19 - QB    LEU   98  11.53 +/- 3.13   1.499% *  0.3540% (0.33   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   ILE   19 - QB    LEU   98  11.95 +/- 2.85   0.841% *  0.1867% (0.17   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.14 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 = 3.12, residual support = 62.5:
    * O T QD2   LEU   98 - QB    LEU   98   2.19 +/- 0.16  70.796% * 51.1151% (0.87  10.0 10.00   3.36  76.88) =  73.664%  kept
        T QG2   VAL   41 - QB    LEU   98   5.06 +/- 2.99  26.746% * 48.3528% (0.82   1.0 10.00   2.45  22.29) =  26.326%  kept
        T QD1   LEU   80 - QB    LEU   98  12.45 +/- 2.73   0.897% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU   63 - QB    LEU   98  10.14 +/- 2.63   1.560% *  0.0210% (0.36   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 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.79, residual support = 76.9:
    *   T HA    LEU   98 - QD1   LEU   98   3.13 +/- 0.56 100.000% *100.0000% (1.00 10.00   4.79  76.88) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.81, residual support = 76.9:
    * O T QB    LEU   98 - QD1   LEU   98   2.14 +/- 0.12  78.062% * 98.1517% (0.87  10.0 10.00   3.81  76.88) =  99.967%  kept
          HB3   LYS+  74 - QD1   LEU   98  12.24 +/- 3.62   8.898% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.013%
        T HG12  ILE   19 - QD1   LEU   98  13.61 +/- 3.53   0.849% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T HG    LEU   80 - QD1   LEU   98  12.74 +/- 3.66   0.897% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - QD1   LEU   98  12.99 +/- 5.16   0.944% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   98   7.89 +/- 2.84   4.519% *  0.0224% (0.20   1.0  1.00   0.02   0.42) =   0.001%
          HB2   LEU   80 - QD1   LEU   98  12.05 +/- 3.50   0.854% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD1   LEU   98  12.01 +/- 2.92   1.236% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QD1   LEU   98  10.67 +/- 3.46   1.856% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.89 +/- 4.19   0.300% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.82 +/- 1.54   0.345% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  13.38 +/- 2.53   0.494% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  13.33 +/- 2.79   0.498% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  15.62 +/- 2.46   0.249% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 2.62, residual support = 76.4:
    * O T QD2   LEU   98 - QD1   LEU   98   2.03 +/- 0.08  81.059% * 94.4449% (1.00  10.0 10.00   2.64  76.88) =  99.031%  kept
          QG2   VAL   41 - QD1   LEU   98   5.38 +/- 2.44  16.142% *  4.5719% (0.95   1.0  1.00   1.02  22.29) =   0.955%  kept
        T QD1   LEU   80 - QD1   LEU   98  11.14 +/- 2.89   1.086% *  0.9444% (1.00   1.0 10.00   0.02   0.02) =   0.013%
          QD2   LEU   63 - QD1   LEU   98   9.64 +/- 2.95   1.714% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.45 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 = 4.31, residual support = 76.9:
    *   T HA    LEU   98 - QD2   LEU   98   3.46 +/- 0.67  98.446% * 99.4301% (1.00 10.00   4.31  76.88) =  99.991%  kept
        T HA    LEU   98 - QD1   LEU   80  15.14 +/- 3.39   1.554% *  0.5699% (0.57 10.00   0.02   0.02) =   0.009%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (1.41, 0.55, 25.87 ppm):
    28 chemical-shift based assignments, quality = 0.683, support = 3.95, residual support = 80.5:
    * O T QB    LEU   98 - QD2   LEU   98   2.19 +/- 0.16  32.582% * 50.3539% (0.87  10.0 10.00   3.36  76.88) =  59.619%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  35.641% * 16.1964% (0.28  10.0  1.00   4.62  85.83) =  20.978%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.92 +/- 0.40  16.604% * 32.1120% (0.55  10.0 10.00   5.05  85.83) =  19.375%  kept
        T HB2   LEU   80 - QD2   LEU   98  11.76 +/- 3.48   0.645% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.013%
        T QB    LEU   98 - QD1   LEU   80  12.45 +/- 2.73   0.321% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QD1   LEU   80   9.77 +/- 3.91   2.097% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QD2   LEU   98  11.68 +/- 3.31   0.829% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QD2   LEU   98   7.37 +/- 3.03   4.019% *  0.0115% (0.20   1.0  1.00   0.02   0.42) =   0.002%
          HG    LEU   80 - QD2   LEU   98  12.37 +/- 3.83   1.434% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD2   LEU   98  13.49 +/- 5.04   0.301% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD2   LEU   98  12.71 +/- 3.89   0.473% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD2   LEU   98  11.82 +/- 2.52   0.602% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  20.68 +/- 4.73   0.322% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98  10.12 +/- 2.99   0.964% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  18.13 +/- 4.14   0.149% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  14.70 +/- 5.87   0.237% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80  10.67 +/- 4.22   0.817% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  12.47 +/- 2.90   0.283% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  14.35 +/- 1.29   0.125% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  12.75 +/- 3.03   0.248% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  12.86 +/- 2.64   0.270% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  15.39 +/- 1.98   0.105% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  16.58 +/- 6.07   0.192% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  15.61 +/- 3.36   0.236% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  19.64 +/- 5.02   0.074% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  13.75 +/- 3.22   0.214% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  15.12 +/- 1.91   0.116% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  16.57 +/- 3.32   0.103% *  0.0066% (0.11   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 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 0.992, support = 2.62, residual support = 76.1:
    * O T QD1   LEU   98 - QD2   LEU   98   2.03 +/- 0.08  80.093% * 88.6349% (1.00  10.0 10.00   2.64  76.88) =  98.855%  kept
        T QD2   LEU  104 - QD2   LEU   98   4.78 +/- 0.81   7.655% * 10.6203% (0.31   1.0 10.00   0.78   9.76) =   1.132%  kept
        T QD1   LEU   98 - QD1   LEU   80  11.14 +/- 2.89   1.049% *  0.5081% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QG2   ILE   19 - QD2   LEU   98  10.42 +/- 3.24   6.739% *  0.0333% (0.38   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU  104 - QD1   LEU   80  14.51 +/- 2.79   0.440% *  0.1568% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QD1   LEU   80  11.16 +/- 5.23   1.646% *  0.0191% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.87 +/- 3.08   1.532% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  12.45 +/- 4.99   0.846% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.44, residual support = 174.4:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.28 +/- 0.55  74.811% * 98.3868% (1.00  10.0 10.00   6.44 174.65) =  99.888%  kept
          QG2   THR   39 - HA    LYS+  99   9.72 +/- 4.87  14.203% *  0.4316% (0.65   1.0  1.00   0.14   0.02) =   0.083%
        T HG3   LYS+  38 - HA    LYS+  99  13.78 +/- 6.00   3.419% *  0.3693% (0.38   1.0 10.00   0.02   0.02) =   0.017%
        T HG12  ILE   89 - HA    LYS+  99  16.59 +/- 2.53   0.777% *  0.4045% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   71 - HA    LYS+  99  13.47 +/- 5.07   2.810% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE   19 - HA    LYS+  99  15.35 +/- 4.11   1.566% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    LYS+  99  16.75 +/- 2.80   1.014% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  99  18.71 +/- 2.52   0.529% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.72 +/- 2.26   0.659% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  24.60 +/- 3.11   0.214% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.761, support = 5.88, residual support = 174.6:
    *   T QD    LYS+  99 - HA    LYS+  99   3.61 +/- 0.64  34.897% * 69.7607% (1.00   1.0 10.00   5.82 174.65) =  59.476%  kept
      O T HB3   LYS+  99 - HA    LYS+  99   2.88 +/- 0.26  57.799% * 28.6795% (0.41  10.0 10.00   5.99 174.65) =  40.498%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.17 +/- 1.17   1.049% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.018%
        T QG1   ILE   56 - HA    LYS+  99  17.64 +/- 2.07   0.315% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU  123 - HA    LYS+  99  20.59 +/- 5.78   0.325% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    LYS+  99   8.19 +/- 1.15   4.181% *  0.0155% (0.22   1.0  1.00   0.02   1.38) =   0.002%
          HB2   LEU   73 - HA    LYS+  99  14.83 +/- 3.44   0.811% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+  99  22.23 +/- 2.30   0.178% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.52 +/- 2.81   0.328% *  0.0262% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.94 +/- 3.35   0.116% *  0.0479% (0.69   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 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 7.02, residual support = 172.8:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.78 +/- 0.42  69.914% * 94.9903% (1.00  10.0 10.00   7.06 174.65) =  98.835%  kept
          HG    LEU   98 - HA    LYS+  99   5.45 +/- 1.22  21.006% *  3.6071% (0.22   1.0  1.00   3.41  17.51) =   1.128%  kept
        T HG2   LYS+  38 - HA    LYS+  99  13.36 +/- 5.68   2.286% *  0.9311% (0.98   1.0 10.00   0.02   0.02) =   0.032%
          HB2   LEU   31 - HA    LYS+  99  13.13 +/- 3.82   1.591% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - HA    LYS+  99  15.63 +/- 2.85   1.404% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+  99  15.71 +/- 3.58   0.605% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  18.71 +/- 3.19   0.470% *  0.0652% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  15.65 +/- 2.94   0.767% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  15.36 +/- 1.84   0.458% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  18.78 +/- 5.90   0.592% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  24.63 +/- 3.21   0.139% *  0.0852% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  16.11 +/- 2.40   0.769% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 5.33, residual support = 173.3:
    *   T QE    LYS+  99 - HA    LYS+  99   3.43 +/- 0.54  75.538% * 91.7107% (1.00 10.00   5.37 174.65) =  99.234%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.67 +/- 0.80   6.379% *  7.3880% (0.69 10.00   0.23   1.38) =   0.675%  kept
        T QE    LYS+  38 - HA    LYS+  99  11.92 +/- 4.62   7.165% *  0.8225% (0.90 10.00   0.02   0.02) =   0.084%
          HB2   PHE   97 - HA    LYS+  99   7.73 +/- 0.79   8.549% *  0.0377% (0.41  1.00   0.02   0.02) =   0.005%
          HB3   TRP   27 - HA    LYS+  99  15.45 +/- 3.28   2.370% *  0.0411% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.99, residual support = 174.4:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.57 +/- 0.26  86.817% * 98.0346% (1.00  10.0 10.00   7.00 174.65) =  99.834%  kept
          HA    LEU   40 - HB2   LYS+  99   8.83 +/- 6.43   9.017% *  1.5450% (0.25   1.0  1.00   1.26   9.29) =   0.163%  kept
          HA    ASN   35 - HB2   LYS+  99  14.12 +/- 5.73   1.317% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   LYS+  99  18.91 +/- 6.69   0.563% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HB2   LYS+  99  21.25 +/- 2.86   0.177% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  22.84 +/- 2.08   0.158% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  17.29 +/- 4.04   0.432% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  22.62 +/- 7.20   0.689% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  18.49 +/- 5.30   0.443% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  19.43 +/- 4.67   0.388% *  0.0151% (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 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.43, residual support = 174.6:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.75 +/- 0.29  90.495% * 97.9325% (1.00  10.0 10.00   6.44 174.65) =  99.948%  kept
          QG2   THR   39 - HB2   LYS+  99  10.85 +/- 4.93   4.116% *  0.8914% (0.65   1.0  1.00   0.28   0.02) =   0.041%
        T HG3   LYS+  38 - HB2   LYS+  99  15.01 +/- 6.28   1.287% *  0.3676% (0.38   1.0 10.00   0.02   0.02) =   0.005%
        T HG12  ILE   89 - HB2   LYS+  99  16.96 +/- 2.41   0.595% *  0.4026% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - HB2   LYS+  99  14.44 +/- 5.22   1.137% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  99  16.28 +/- 3.91   0.651% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB2   LYS+  99  17.47 +/- 2.59   0.483% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  99  18.64 +/- 2.17   0.541% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.22 +/- 2.63   0.503% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  23.85 +/- 2.91   0.192% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.7, support = 5.2, residual support = 174.6:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  70.438% * 29.0322% (0.41  10.0   4.73 174.65) =  50.981%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.55 +/- 0.39  27.843% * 70.6187% (1.00  10.0   5.69 174.65) =  49.018%  kept
          QD    LYS+ 106 - HB2   LYS+  99  10.71 +/- 0.98   0.352% *  0.0705% (1.00   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB2   LYS+  99   8.23 +/- 1.13   0.867% *  0.0157% (0.22   1.0   0.02   1.38) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  15.73 +/- 3.48   0.160% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.11 +/- 2.52   0.091% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  19.35 +/- 5.99   0.116% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.19 +/- 1.81   0.040% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  24.11 +/- 3.14   0.035% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.31 +/- 2.21   0.057% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.04, residual support = 174.1:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.78 +/- 0.23  84.188% * 96.1361% (1.00  10.0   7.05 174.65) =  99.656%  kept
          HG    LEU   98 - HB2   LYS+  99   6.52 +/- 0.84   8.347% *  3.2925% (0.22   1.0   3.08  17.51) =   0.338%  kept
          HG2   LYS+  38 - HB2   LYS+  99  14.64 +/- 5.95   1.539% *  0.0942% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  99  14.58 +/- 3.85   1.063% *  0.0803% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+  99  15.51 +/- 3.95   1.028% *  0.0544% (0.57   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   LYS+  99  15.90 +/- 2.59   0.659% *  0.0698% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HB2   LYS+  99  15.55 +/- 2.19   0.611% *  0.0431% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  19.58 +/- 3.65   0.370% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  17.63 +/- 6.09   0.824% *  0.0297% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  16.01 +/- 2.96   0.673% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  23.83 +/- 3.09   0.160% *  0.0862% (0.90   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  16.57 +/- 2.50   0.537% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 5.16, residual support = 174.3:
    *     QE    LYS+  99 - HB2   LYS+  99   3.23 +/- 0.75  75.115% * 97.8162% (1.00   5.17 174.65) =  99.825%  kept
          QE    LYS+ 102 - HB2   LYS+  99   8.71 +/- 0.97   6.099% *  1.5191% (0.69   0.12   1.38) =   0.126%  kept
          HB2   PHE   97 - HB2   LYS+  99   6.79 +/- 0.91  14.349% *  0.1556% (0.41   0.02   0.02) =   0.030%
          QE    LYS+  38 - HB2   LYS+  99  12.86 +/- 4.94   3.596% *  0.3394% (0.90   0.02   0.02) =   0.017%
          HB3   TRP   27 - HB2   LYS+  99  16.57 +/- 3.11   0.842% *  0.1697% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 6.44, residual support = 174.5:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.28 +/- 0.55  49.228% * 97.6353% (1.00  10.0 10.00   6.44 174.65) =  99.921%  kept
          HA    LEU   40 - HG3   LYS+  99   9.40 +/- 6.25   8.570% *  0.3043% (0.25   1.0  1.00   0.25   9.29) =   0.054%
        T HA    LYS+  99 - HG3   LYS+  38  13.78 +/- 6.00   2.149% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.005%
          HA    ASN   35 - HG3   LYS+  38   5.21 +/- 1.36  21.666% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  99 - HG12  ILE   89  16.59 +/- 2.53   0.507% *  0.3960% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HA    ASN   35 - HG3   LYS+  99  13.75 +/- 5.96   1.946% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ILE   56 - HG3   LYS+  99  23.07 +/- 2.75   0.191% *  0.9236% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HG3   LYS+  99  19.91 +/- 7.06   0.542% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG3   LYS+  99  22.52 +/- 7.72   1.961% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HG12  ILE   89  17.40 +/- 2.28   0.457% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  18.67 +/- 2.56   0.387% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  27.54 +/- 3.45   0.124% *  0.0964% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.42 +/- 1.02   4.389% *  0.0025% (0.03   1.0  1.00   0.02   0.78) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  24.72 +/- 2.58   0.129% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  18.65 +/- 5.55   0.735% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.02 +/- 3.64   0.389% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  16.53 +/- 2.73   0.682% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  23.48 +/- 2.65   0.169% *  0.0382% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  24.23 +/- 2.90   0.177% *  0.0343% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  21.01 +/- 4.35   0.398% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  24.88 +/- 7.93   0.663% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  18.27 +/- 1.74   0.334% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  18.56 +/- 2.53   0.529% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  15.16 +/- 2.95   1.820% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  18.09 +/- 4.05   1.043% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  25.33 +/- 3.88   0.150% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  31.28 +/- 3.71   0.075% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  29.26 +/- 4.53   0.112% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  23.33 +/- 3.41   0.217% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  24.21 +/- 4.58   0.259% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.899, support = 4.69, residual support = 179.4:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.92 +/- 0.50  38.158% * 89.0505% (1.00  10.0 10.00   4.73 174.65) =  88.895%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.60 +/- 0.49  50.381% *  8.3338% (0.09  10.0 10.00   4.39 220.04) =  10.984%  kept
        T QE    LYS+  38 - HG3   LYS+  99  12.08 +/- 5.52   4.015% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.084%
        T QE    LYS+ 102 - HG3   LYS+  99   9.12 +/- 1.29   1.554% *  0.6117% (0.69   1.0 10.00   0.02   1.38) =   0.025%
        T QE    LYS+  99 - HG3   LYS+  38  11.59 +/- 6.53   2.027% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.005%
        T QE    LYS+ 102 - HG12  ILE   89  15.24 +/- 2.79   0.382% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG12  ILE   89  17.12 +/- 2.67   0.209% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HG3   LYS+  99   8.90 +/- 0.88   1.259% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG12  ILE   89  22.28 +/- 2.43   0.097% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG3   LYS+  38  18.08 +/- 4.81   0.224% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  17.72 +/- 2.98   0.334% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  12.49 +/- 2.11   0.640% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  16.64 +/- 3.48   0.236% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.44 +/- 2.24   0.347% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  19.06 +/- 3.80   0.138% *  0.0038% (0.04   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 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 174.3:
    *   T HA    LYS+  99 - QD    LYS+  99   3.61 +/- 0.64  56.876% * 95.3679% (1.00 10.00   5.82 174.65) =  99.770%  kept
          HA    LEU   40 - QD    LYS+  99   8.22 +/- 6.40  19.767% *  0.2973% (0.25  1.00   0.25   9.29) =   0.108%  kept
        T HA    LEU  123 - QD    LYS+  99  17.14 +/- 6.22   2.517% *  0.8272% (0.87 10.00   0.02   0.02) =   0.038%
        T HA    LYS+  99 - QD    LYS+ 106  11.17 +/- 1.17   2.682% *  0.7678% (0.81 10.00   0.02   0.02) =   0.038%
        T HA    ILE   56 - QD    LYS+ 106  15.62 +/- 2.22   1.215% *  0.7264% (0.76 10.00   0.02   0.02) =   0.016%
        T HA    LEU  123 - QD    LYS+ 106  18.08 +/- 3.27   0.704% *  0.6661% (0.70 10.00   0.02   0.02) =   0.009%
          HA    ASN   35 - QD    LYS+  99  12.41 +/- 5.93   4.542% *  0.0920% (0.97  1.00   0.02   0.02) =   0.008%
        T HA    ILE   56 - QD    LYS+  99  20.07 +/- 2.67   0.446% *  0.9021% (0.95 10.00   0.02   0.02) =   0.007%
          HA    ASP- 113 - QD    LYS+ 106  14.53 +/- 1.85   1.428% *  0.0641% (0.67  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QD    LYS+ 106  19.75 +/- 3.06   0.471% *  0.0741% (0.78  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+ 106  13.90 +/- 2.50   1.575% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+  99  21.53 +/- 2.23   0.374% *  0.0797% (0.84  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+  99  16.48 +/- 3.39   1.066% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  14.69 +/- 2.72   1.130% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.98 +/- 7.34   1.616% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  16.39 +/- 5.40   1.221% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  18.24 +/- 4.40   1.019% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  16.31 +/- 2.50   0.887% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  22.54 +/- 3.53   0.288% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.37 +/- 4.50   0.176% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 5.84, residual support = 174.4:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.42 +/- 0.15  70.237% * 94.9856% (1.00  10.0  1.00   5.85 174.65) =  99.865%  kept
          HG    LEU   98 - QD    LYS+  99   7.79 +/- 1.14   2.863% *  2.5178% (0.22   1.0  1.00   2.38  17.51) =   0.108%  kept
          QB    ALA   88 - QD    LYS+ 106   7.55 +/- 2.47  10.668% *  0.0555% (0.58   1.0  1.00   0.02   0.02) =   0.009%
        T HG2   LYS+ 111 - QD    LYS+ 106  13.04 +/- 2.82   0.785% *  0.6859% (0.72   1.0 10.00   0.02   0.02) =   0.008%
          HG2   LYS+  38 - QD    LYS+  99  12.40 +/- 6.41   1.422% *  0.0931% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 111 - QD    LYS+  99  22.72 +/- 3.13   0.103% *  0.8519% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 106   8.20 +/- 1.69   4.101% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    LYS+  99  13.70 +/- 3.60   0.759% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+ 106  11.45 +/- 3.15   1.668% *  0.0261% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+ 106  12.72 +/- 1.30   0.545% *  0.0765% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  99  14.82 +/- 3.71   0.623% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+ 106  11.78 +/- 1.91   0.850% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  15.88 +/- 2.49   0.376% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  15.64 +/- 5.80   0.808% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  14.60 +/- 2.93   0.447% *  0.0525% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  14.30 +/- 2.35   0.477% *  0.0433% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  17.43 +/- 3.54   0.314% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  10.08 +/- 1.67   1.338% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.45 +/- 2.20   0.347% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  19.24 +/- 3.15   0.198% *  0.0652% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  15.66 +/- 2.67   0.397% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  20.73 +/- 2.64   0.135% *  0.0750% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  17.30 +/- 2.84   0.236% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  16.45 +/- 2.35   0.303% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.27, residual support = 174.5:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.28 +/- 0.12  72.663% * 94.6730% (1.00  10.0 10.00   5.27 174.65) =  99.920%  kept
        T HG12  ILE   89 - QD    LYS+ 106   7.97 +/- 2.65   7.807% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.036%
          QG2   THR   39 - QD    LYS+  99   9.64 +/- 5.25  10.573% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.009%
        T HG3   LYS+  38 - QD    LYS+  99  12.63 +/- 6.67   1.635% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  99 - QD    LYS+ 106  12.45 +/- 1.40   0.644% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 111 - QD    LYS+ 106  12.95 +/- 2.62   1.087% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - QD    LYS+  99  16.93 +/- 2.46   0.231% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+ 106  15.89 +/- 1.98   0.254% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   ILE   56 - QD    LYS+ 106  12.02 +/- 2.10   0.853% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QD    LYS+  99  17.14 +/- 2.45   0.265% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QD    LYS+  99  13.11 +/- 5.42   0.969% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD    LYS+ 106   9.74 +/- 1.48   1.127% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE   56 - QD    LYS+  99  16.42 +/- 2.43   0.247% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  99  22.74 +/- 2.97   0.129% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  99  15.06 +/- 3.84   0.387% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+ 106  21.15 +/- 2.89   0.110% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  18.21 +/- 2.50   0.410% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  15.11 +/- 2.25   0.303% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  18.59 +/- 2.08   0.154% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.05 +/- 2.57   0.150% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.41, residual support = 174.2:
    * O T QE    LYS+  99 - QD    LYS+  99   2.08 +/- 0.03  82.164% * 93.7609% (1.00  10.0 10.00   4.41 174.65) =  99.734%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.25 +/- 0.98   4.441% *  2.6893% (0.33   1.0  1.00   1.73  11.86) =   0.155%  kept
        T QE    LYS+  38 - QD    LYS+  99  10.62 +/- 5.48   7.087% *  0.8409% (0.90   1.0 10.00   0.02   0.02) =   0.077%
        T QE    LYS+ 102 - QD    LYS+ 106   9.23 +/- 2.35   1.746% *  0.5186% (0.55   1.0 10.00   0.02   0.02) =   0.012%
        T QE    LYS+  99 - QD    LYS+ 106  11.53 +/- 2.05   1.077% *  0.7549% (0.81   1.0 10.00   0.02   0.02) =   0.011%
        T QE    LYS+ 102 - QD    LYS+  99   9.09 +/- 1.00   1.152% *  0.6441% (0.69   1.0 10.00   0.02   1.38) =   0.010%
        T QE    LYS+  38 - QD    LYS+ 106  18.36 +/- 2.03   0.140% *  0.6770% (0.72   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - QD    LYS+  99   7.86 +/- 0.87   1.748% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+  99  15.86 +/- 2.70   0.252% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.95 +/- 2.49   0.193% *  0.0338% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.986, support = 5.28, residual support = 170.9:
    *   T HA    LYS+  99 - QE    LYS+  99   3.43 +/- 0.54  33.173% * 89.6594% (1.00 10.00   5.37 174.65) =  97.748%  kept
          HA    LEU   40 - QE    LYS+  99   7.05 +/- 6.36  22.759% *  1.8984% (0.25  1.00   1.70   9.29) =   1.420%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.67 +/- 0.80   2.947% *  7.1709% (0.68 10.00   0.23   1.38) =   0.695%  kept
          HA    LEU   40 - QE    LYS+  38   7.22 +/- 1.90  10.025% *  0.2638% (0.07  1.00   0.87   0.78) =   0.087%
        T HA    LYS+  99 - QE    LYS+  38  11.92 +/- 4.62   3.203% *  0.2419% (0.27 10.00   0.02   0.02) =   0.025%
          HA    ASN   35 - QE    LYS+  99  11.43 +/- 5.79   2.883% *  0.0865% (0.97  1.00   0.02   0.02) =   0.008%
          HA    ASN   35 - QE    LYS+  38   5.93 +/- 1.45  10.141% *  0.0233% (0.26  1.00   0.02   0.02) =   0.008%
          HA    LEU  123 - QE    LYS+  99  17.30 +/- 6.12   0.673% *  0.0778% (0.87  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QE    LYS+ 102  16.85 +/- 4.55   0.728% *  0.0590% (0.66  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QE    LYS+  38  21.68 +/- 7.67   1.478% *  0.0210% (0.23  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - QE    LYS+  99  20.04 +/- 2.20   0.191% *  0.0848% (0.95  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QE    LYS+  38  13.71 +/- 3.40   4.536% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  21.82 +/- 2.53   0.177% *  0.0749% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  14.05 +/- 3.60   0.836% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  19.16 +/- 6.54   0.998% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  15.51 +/- 4.97   0.925% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  21.45 +/- 5.30   0.204% *  0.0530% (0.59  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  16.38 +/- 2.83   0.376% *  0.0224% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  22.95 +/- 2.70   0.140% *  0.0578% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.79 +/- 2.68   0.145% *  0.0511% (0.57  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  18.10 +/- 3.61   0.346% *  0.0138% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  24.02 +/- 3.93   0.191% *  0.0229% (0.26  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  20.17 +/- 3.58   0.241% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.58 +/- 6.15   0.342% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  16.63 +/- 4.18   0.854% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  20.31 +/- 4.04   0.418% *  0.0060% (0.07  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  22.02 +/- 4.47   0.291% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  27.31 +/- 4.33   0.112% *  0.0202% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  21.11 +/- 4.96   0.491% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  22.26 +/- 3.82   0.174% *  0.0094% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.516, support = 4.57, residual support = 174.6:
      O T QD    LYS+  99 - QE    LYS+  99   2.08 +/- 0.03  65.125% * 59.3788% (0.41  10.0 10.00   4.41 174.65) =  82.050%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.46 +/- 0.71  22.019% * 38.3061% (1.00   1.0  1.00   5.30 174.65) =  17.897%  kept
        T QD    LYS+  99 - QE    LYS+  38  10.62 +/- 5.48   5.822% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.020%
        T QD    LYS+ 106 - QE    LYS+ 102   9.23 +/- 2.35   1.409% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.011%
        T QD    LYS+ 106 - QE    LYS+  99  11.53 +/- 2.05   0.749% *  0.5421% (0.38   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  99 - QE    LYS+ 102   9.09 +/- 1.00   0.922% *  0.4050% (0.28   1.0 10.00   0.02   1.38) =   0.008%
          HB3   LYS+  99 - QE    LYS+ 102   8.17 +/- 0.93   1.262% *  0.0985% (0.68   1.0  1.00   0.02   1.38) =   0.003%
          HB3   LYS+  99 - QE    LYS+  38  13.11 +/- 4.95   1.025% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QE    LYS+  99  17.62 +/- 2.92   0.279% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QE    LYS+  99  16.31 +/- 1.98   0.156% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  18.36 +/- 2.03   0.112% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  16.04 +/- 2.58   0.193% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.73 +/- 2.25   0.107% *  0.0966% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.49 +/- 2.83   0.280% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  19.95 +/- 3.37   0.108% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  18.56 +/- 3.82   0.153% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  15.78 +/- 2.55   0.224% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  22.81 +/- 2.32   0.057% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.887, support = 4.67, residual support = 178.2:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.92 +/- 0.50  32.030% * 83.8299% (1.00  10.0 10.00   4.73 174.65) =  87.226%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.60 +/- 0.49  42.361% *  8.4880% (0.10  10.0 10.00   4.39 220.04) =  11.680%  kept
          QG2   THR   39 - QE    LYS+  38   6.39 +/- 1.49   8.436% *  2.5823% (0.17   1.0  1.00   3.53  23.11) =   0.708%  kept
          QG2   THR   39 - QE    LYS+  99   8.57 +/- 5.20   3.960% *  2.3849% (0.65   1.0  1.00   0.88   0.02) =   0.307%  kept
        T HG3   LYS+  99 - QE    LYS+  38  12.08 +/- 5.52   3.423% *  0.2262% (0.27   1.0 10.00   0.02   0.02) =   0.025%
        T HG3   LYS+  99 - QE    LYS+ 102   9.12 +/- 1.29   1.210% *  0.5717% (0.68   1.0 10.00   0.02   1.38) =   0.022%
        T HG3   LYS+  38 - QE    LYS+  99  11.59 +/- 6.53   1.723% *  0.3146% (0.38   1.0 10.00   0.02   0.02) =   0.018%
        T HG12  ILE   89 - QE    LYS+ 102  15.24 +/- 2.79   0.319% *  0.2350% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QE    LYS+  99  11.93 +/- 5.43   0.876% *  0.0831% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QE    LYS+  99  17.12 +/- 2.67   0.174% *  0.3446% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - QE    LYS+ 102  18.08 +/- 4.81   0.190% *  0.2146% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QE    LYS+  99  14.22 +/- 3.51   0.384% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+  38  10.23 +/- 2.17   1.342% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QE    LYS+  99  16.28 +/- 2.42   0.288% *  0.0836% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QE    LYS+  99  18.20 +/- 3.01   0.275% *  0.0542% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  19.73 +/- 3.52   0.257% *  0.0570% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  13.77 +/- 3.24   0.621% *  0.0214% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  14.30 +/- 2.88   0.301% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  19.85 +/- 3.61   0.204% *  0.0541% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  18.76 +/- 3.39   0.332% *  0.0226% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  22.28 +/- 2.43   0.080% *  0.0930% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  17.05 +/- 2.16   0.192% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  18.98 +/- 2.82   0.111% *  0.0567% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.39 +/- 2.11   0.223% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.37 +/- 2.29   0.175% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  22.98 +/- 3.45   0.075% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  22.54 +/- 2.84   0.082% *  0.0195% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  22.36 +/- 2.84   0.084% *  0.0146% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  19.67 +/- 3.39   0.235% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  28.85 +/- 3.69   0.039% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.83 +/- 0.27  79.335% * 99.1823% (1.00  10.0 10.00   4.26  75.70) =  99.989%  kept
        T HB2   GLU- 100 - HA    LYS+  38  12.71 +/- 7.30   8.759% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.007%
          HB3   PHE   97 - HA    GLU- 100  11.38 +/- 0.61   1.327% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - HA    GLU- 100  24.44 +/- 3.91   0.174% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HA    GLU- 100  13.95 +/- 4.74   1.978% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU- 100  19.12 +/- 3.93   0.532% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   8.80 +/- 1.24   6.577% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  26.38 +/- 2.35   0.111% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  23.60 +/- 4.10   0.216% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  16.62 +/- 3.75   0.566% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  20.62 +/- 2.53   0.293% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  27.48 +/- 3.85   0.132% *  0.0059% (0.06   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 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.63 +/- 0.24  79.669% * 99.2716% (1.00  10.0 10.00   4.26  75.70) =  99.990%  kept
        T HB3   GLU- 100 - HA    LYS+  38  12.61 +/- 7.24   7.245% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          HB2   GLN   30 - HA    GLU- 100  15.27 +/- 3.87   0.945% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU- 100  17.06 +/- 5.89   3.215% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU- 100  16.38 +/- 4.14   0.605% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLU- 100  19.53 +/- 6.38   1.645% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  19.87 +/- 4.81   0.540% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.41 +/- 0.81   0.185% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  23.82 +/- 3.84   0.138% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  10.87 +/- 1.63   1.387% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.19 +/- 2.34   0.150% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  29.15 +/- 3.47   0.073% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  11.86 +/- 1.73   1.038% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  27.51 +/- 3.23   0.078% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.19 +/- 2.28   0.507% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  13.03 +/- 2.88   1.199% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  24.36 +/- 4.69   0.189% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  15.90 +/- 3.19   0.806% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  24.97 +/- 1.94   0.106% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  28.64 +/- 4.54   0.097% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.13 +/- 2.59   0.118% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  29.80 +/- 3.56   0.064% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.7:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.76 +/- 0.48  72.865% * 99.4988% (1.00  10.0 10.00   4.72  75.70) =  99.983%  kept
        T HG2   GLU- 100 - HA    LYS+  38  11.54 +/- 7.48  14.553% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.012%
          QG    GLN   17 - HA    GLU- 100  17.37 +/- 6.10   3.814% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLU- 100  13.62 +/- 0.87   0.829% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLU- 100  14.81 +/- 1.12   0.618% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLU- 100  21.07 +/- 3.91   0.339% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  18.16 +/- 4.98   0.853% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  15.44 +/- 4.17   0.795% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.60 +/- 6.08   0.678% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  27.09 +/- 2.51   0.109% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.09 +/- 1.76   1.200% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  14.53 +/- 3.31   1.277% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  13.79 +/- 1.45   0.775% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  17.63 +/- 1.95   0.371% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  19.44 +/- 2.64   0.282% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  21.84 +/- 3.14   0.234% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  28.26 +/- 3.63   0.136% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.10 +/- 1.54   0.272% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.83 +/- 0.27  89.441% * 98.6741% (1.00  10.0 10.00   4.26  75.70) =  99.973%  kept
        T HA    LYS+  38 - HB2   GLU- 100  12.71 +/- 7.30   9.845% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.024%
        T HD2   PRO   58 - HB2   GLU- 100  26.06 +/- 2.97   0.146% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   GLU- 100  19.57 +/- 2.84   0.421% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  26.75 +/- 2.80   0.148% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  98.303% * 99.3690% (1.00  10.0 10.00   2.00  75.70) =  99.999%  kept
          HB2   GLN   30 - HB2   GLU- 100  16.73 +/- 3.75   0.282% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  17.79 +/- 4.02   0.163% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  17.86 +/- 5.67   0.484% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  20.44 +/- 5.21   0.181% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  20.50 +/- 6.09   0.367% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.51 +/- 1.09   0.063% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  23.82 +/- 4.08   0.050% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  23.72 +/- 2.09   0.050% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  29.54 +/- 3.57   0.026% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  27.55 +/- 3.39   0.031% *  0.0276% (0.28   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 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.96 +/- 0.10  92.761% * 99.5837% (1.00  10.0 10.00   3.24  75.70) =  99.997%  kept
          HB2   ASP- 105 - HB2   GLU- 100  14.56 +/- 1.45   0.925% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HB2   GLU- 100  18.17 +/- 5.92   2.694% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLU- 100  14.16 +/- 0.64   0.876% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   GLU- 100  21.96 +/- 3.93   0.361% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  16.29 +/- 4.31   0.896% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  19.72 +/- 4.94   0.700% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  23.05 +/- 6.23   0.657% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  27.65 +/- 2.11   0.129% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.63 +/- 0.24  91.241% * 99.5406% (1.00  10.0 10.00   4.26  75.70) =  99.979%  kept
        T HA    LYS+  38 - HB3   GLU- 100  12.61 +/- 7.24   8.288% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.020%
          HA    VAL   83 - HB3   GLU- 100  20.04 +/- 2.81   0.258% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  26.73 +/- 2.94   0.107% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  27.46 +/- 2.95   0.106% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  98.523% * 99.6840% (1.00  10.0 10.00   2.00  75.70) =  99.999%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.97 +/- 1.04   0.341% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  15.23 +/- 4.99   0.935% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  20.32 +/- 4.49   0.127% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.99 +/- 2.47   0.029% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  25.36 +/- 4.02   0.045% *  0.0447% (0.45   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 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.68 +/- 0.17  93.348% * 99.0882% (1.00  10.0 10.00   3.24  75.70) =  99.987%  kept
        T QG    GLN   17 - HB3   GLU- 100  18.46 +/- 6.18   3.497% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.009%
        T HB    VAL   70 - HB3   GLU- 100  16.77 +/- 4.34   0.596% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HB3   GLU- 100  15.20 +/- 1.36   0.587% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU- 100  14.82 +/- 0.91   0.594% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  22.52 +/- 4.16   0.259% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  19.86 +/- 4.96   0.513% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  23.29 +/- 6.18   0.513% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  28.32 +/- 2.49   0.092% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.7:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.76 +/- 0.48  82.864% * 99.5406% (1.00  10.0 10.00   4.72  75.70) =  99.955%  kept
        T HA    LYS+  38 - HG2   GLU- 100  11.54 +/- 7.48  16.525% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.044%
          HA    VAL   83 - HG2   GLU- 100  20.37 +/- 2.88   0.313% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  25.90 +/- 3.47   0.177% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  26.81 +/- 3.21   0.121% *  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 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.96 +/- 0.10  94.864% * 99.6840% (1.00  10.0 10.00   3.24  75.70) =  99.997%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.52 +/- 1.48   1.891% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   32 - HG2   GLU- 100  14.77 +/- 4.69   2.319% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HG2   GLU- 100  20.50 +/- 4.09   0.489% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  26.41 +/- 2.71   0.152% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  24.53 +/- 4.38   0.286% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.68 +/- 0.17  92.261% * 98.4783% (1.00  10.0 10.00   3.24  75.70) =  99.982%  kept
        T HB2   GLN   17 - HG2   GLU- 100  19.98 +/- 6.41   2.999% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.007%
        T QB    GLU-  15 - HG2   GLU- 100  17.38 +/- 5.89   1.980% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   PRO   68 - HG2   GLU- 100  19.65 +/- 5.37   0.743% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          HB2   GLN   30 - HG2   GLU- 100  16.31 +/- 3.40   0.693% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU- 100  17.34 +/- 3.60   0.532% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   GLU- 100  23.76 +/- 4.13   0.189% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  21.02 +/- 1.34   0.208% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  23.99 +/- 2.47   0.186% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  29.47 +/- 4.18   0.097% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.83 +/- 3.67   0.113% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00  99.900% * 99.9625% (1.00  10.0 10.00   2.00  15.43) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  19.94 +/- 3.29   0.100% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  98.790% * 99.5312% (1.00  10.0 10.00   2.00  15.43) =  99.999%  kept
          HA    ALA   34 - HA2   GLY  101  14.91 +/- 5.02   0.479% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  16.36 +/- 5.44   0.382% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  20.27 +/- 5.93   0.180% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  22.52 +/- 2.31   0.051% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  25.08 +/- 2.26   0.036% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  25.28 +/- 7.13   0.055% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  28.11 +/- 3.11   0.027% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 0.987, support = 6.31, residual support = 157.5:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.39 +/- 0.13  81.052% * 90.1261% (1.00  10.0 10.00   6.31 160.16) =  98.047%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.52 +/- 0.67  16.009% *  9.0431% (0.34   1.0  1.00   5.88  23.49) =   1.943%  kept
        T HB    VAL   41 - HA    LYS+ 102  11.40 +/- 3.57   1.445% *  0.4387% (0.49   1.0 10.00   0.02   0.02) =   0.009%
          QB    LYS+  66 - HA    LYS+ 102  19.21 +/- 3.77   0.416% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  17.77 +/- 3.69   0.282% *  0.0870% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  19.76 +/- 2.96   0.212% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  21.52 +/- 2.00   0.151% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  22.25 +/- 5.08   0.232% *  0.0439% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  23.20 +/- 4.55   0.117% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.07 +/- 3.01   0.085% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 160.2:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.00 +/- 0.65  90.327% * 99.3298% (1.00  10.0 10.00   5.75 160.16) =  99.994%  kept
          HG    LEU   40 - HA    LYS+ 102  13.89 +/- 3.65   1.591% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HA    LYS+ 102  16.96 +/- 4.14   1.190% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HA    LYS+ 102  19.78 +/- 4.02   0.927% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 102  18.05 +/- 3.20   0.949% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    LYS+ 102  20.41 +/- 2.10   0.483% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  19.21 +/- 3.23   0.561% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  19.74 +/- 2.90   0.494% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  19.69 +/- 4.21   1.173% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  19.46 +/- 4.35   0.651% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  18.45 +/- 3.87   0.750% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.48 +/- 1.40   0.507% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.60 +/- 2.05   0.396% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.99, support = 5.0, residual support = 157.9:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.12 +/- 0.70  53.789% * 94.3845% (1.00  10.0 10.00   5.05 160.16) =  98.562%  kept
          QB    LEU   98 - HA    LYS+ 102   4.56 +/- 1.00  29.100% *  2.4334% (0.34   1.0  1.00   1.51   1.61) =   1.375%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.75 +/- 1.03   2.443% *  0.8928% (0.95   1.0 10.00   0.02   0.02) =   0.042%
        T HG3   LYS+  33 - HA    LYS+ 102  18.25 +/- 3.58   0.421% *  0.8928% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   98 - HA    LYS+ 102   6.17 +/- 0.88   9.697% *  0.0262% (0.28   1.0  1.00   0.02   1.61) =   0.005%
        T HG3   LYS+  65 - HA    LYS+ 102  22.97 +/- 3.27   0.208% *  0.9252% (0.98   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - HA    LYS+ 102  13.64 +/- 2.67   1.053% *  0.0925% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+ 102  17.22 +/- 4.23   0.882% *  0.0942% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HA    LYS+ 102  15.19 +/- 2.94   0.724% *  0.0354% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  24.44 +/- 5.76   0.445% *  0.0572% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  24.69 +/- 1.85   0.138% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.63 +/- 1.79   0.219% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  19.31 +/- 4.25   0.558% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  21.14 +/- 5.16   0.324% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.1:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.33 +/- 0.78  78.872% * 98.2489% (1.00 10.00   5.05 160.16) =  99.983%  kept
        T QD    LYS+  65 - HA    LYS+ 102  21.10 +/- 3.76   0.609% *  0.5562% (0.57 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+ 111 - HA    LYS+ 102  24.89 +/- 2.75   0.284% *  0.6749% (0.69 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HA    LYS+ 102   8.54 +/- 0.74   6.888% *  0.0219% (0.22  1.00   0.02   1.38) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 102   9.54 +/- 1.71   5.646% *  0.0245% (0.25  1.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - HA    LYS+ 102  15.43 +/- 4.31   1.693% *  0.0787% (0.80  1.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HA    LYS+ 102  16.62 +/- 3.28   1.917% *  0.0636% (0.65  1.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    LYS+ 102  17.96 +/- 4.17   1.592% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 102  17.86 +/- 5.93   1.197% *  0.0517% (0.53  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 102  22.28 +/- 2.16   0.474% *  0.0929% (0.95  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 102  23.08 +/- 5.02   0.465% *  0.0907% (0.92  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+ 102  22.64 +/- 1.79   0.361% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 160.1:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.47 +/- 0.37  91.721% * 98.4155% (1.00 10.00   5.05 160.16) =  99.932%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.99 +/- 0.61   5.962% *  0.6760% (0.69 10.00   0.02   1.38) =   0.045%
        T QE    LYS+  38 - HA    LYS+ 102  15.58 +/- 3.97   2.317% *  0.9085% (0.92 10.00   0.02   0.02) =   0.023%
    Distance limit 3.59 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 160.1:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.39 +/- 0.13  93.237% * 99.1785% (1.00  10.0 10.00   6.31 160.16) =  99.990%  kept
        T HA    LYS+ 102 - HB    VAL   41  11.40 +/- 3.57   1.679% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.008%
          HA    CYS   21 - QB    LYS+ 102  19.30 +/- 4.88   0.890% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HB    VAL   41  13.31 +/- 3.48   1.257% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QB    LYS+ 102  23.30 +/- 4.28   0.342% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  24.97 +/- 5.31   0.207% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  19.85 +/- 4.76   0.574% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  22.53 +/- 4.91   0.358% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.31 +/- 0.90   0.183% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  13.90 +/- 3.97   0.904% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  20.71 +/- 3.22   0.218% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  20.92 +/- 1.57   0.151% *  0.0217% (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 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 0.995, support = 5.29, residual support = 159.0:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.38 +/- 0.15  67.445% * 89.3695% (1.00  10.0 10.00   5.31 160.16) =  99.175%  kept
          HG    LEU   40 - HB    VAL   41   6.10 +/- 1.00   5.133% *  6.7222% (0.36   1.0  1.00   4.18  21.29) =   0.568%  kept
          HG    LEU   73 - HB    VAL   41   8.66 +/- 3.71  15.867% *  0.8925% (0.44   1.0  1.00   0.45   0.02) =   0.233%  kept
        T QG    LYS+  66 - QB    LYS+ 102  17.96 +/- 3.69   0.435% *  0.7752% (0.87   1.0 10.00   0.02   0.02) =   0.006%
        T HG    LEU   67 - HB    VAL   41  11.70 +/- 2.60   1.058% *  0.2758% (0.31   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+ 102 - HB    VAL   41  13.30 +/- 3.93   0.660% *  0.4016% (0.45   1.0 10.00   0.02   0.02) =   0.004%
        T QG    LYS+  66 - HB    VAL   41  14.19 +/- 2.71   0.551% *  0.3483% (0.39   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   67 - QB    LYS+ 102  17.66 +/- 3.15   0.255% *  0.6139% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   40 - QB    LYS+ 102  12.93 +/- 3.70   0.739% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+ 102  16.30 +/- 3.86   0.373% *  0.0876% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HB    VAL   41  11.36 +/- 4.32   2.540% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  12.10 +/- 3.01   1.094% *  0.0211% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  12.14 +/- 2.33   0.775% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  16.70 +/- 2.95   0.288% *  0.0470% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  18.16 +/- 2.78   0.206% *  0.0614% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.55 +/- 1.96   0.151% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  18.72 +/- 4.54   0.254% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  15.54 +/- 4.76   0.542% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  16.20 +/- 3.65   0.296% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.61 +/- 2.46   0.194% *  0.0322% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.47 +/- 3.66   0.216% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.70 +/- 1.12   0.174% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  17.51 +/- 4.19   0.299% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.60 +/- 1.92   0.129% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  18.10 +/- 2.14   0.176% *  0.0124% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  18.72 +/- 1.67   0.151% *  0.0100% (0.11   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 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.913, support = 4.6, residual support = 144.5:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.35 +/- 0.18  41.325% * 58.8095% (1.00  10.0 10.00   4.75 160.16) =  88.570%  kept
        T QB    LEU   98 - HB    VAL   41   6.24 +/- 4.06  22.677% *  9.0137% (0.15   1.0 10.00   3.38  22.29) =   7.449%  kept
        T HB    VAL   42 - HB    VAL   41   5.64 +/- 0.83   3.325% * 25.9016% (0.44   1.0 10.00   4.14  28.65) =   3.139%  kept
          QB    LEU   98 - QB    LYS+ 102   5.14 +/- 1.23  12.012% *  1.4606% (0.34   1.0  1.00   1.46   1.61) =   0.639%  kept
          HG    LEU   98 - HB    VAL   41   7.03 +/- 4.25   9.869% *  0.4310% (0.12   1.0  1.00   1.17  22.29) =   0.155%  kept
        T HG3   LYS+ 106 - QB    LYS+ 102   9.10 +/- 0.72   0.794% *  0.5563% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HB    VAL   42 - QB    LYS+ 102  12.96 +/- 2.55   0.303% *  0.5764% (0.98   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  33 - HB    VAL   41  10.33 +/- 2.09   0.667% *  0.2500% (0.43   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 106 - HB    VAL   41  12.42 +/- 3.40   0.374% *  0.2500% (0.43   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  33 - QB    LYS+ 102  17.24 +/- 3.46   0.142% *  0.5563% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - HB    VAL   41  13.54 +/- 3.80   0.290% *  0.2642% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   98 - QB    LYS+ 102   6.71 +/- 1.34   3.363% *  0.0164% (0.28   1.0  1.00   0.02   1.61) =   0.002%
        T HG3   LYS+  65 - QB    LYS+ 102  21.07 +/- 3.14   0.081% *  0.5764% (0.98   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HB    VAL   41  15.89 +/- 1.83   0.164% *  0.2590% (0.44   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HB    VAL   41   9.27 +/- 2.70   1.475% *  0.0264% (0.45   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.40 +/- 1.37   0.055% *  0.5829% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - HB    VAL   41  21.48 +/- 2.84   0.078% *  0.2619% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 102  16.56 +/- 3.93   0.209% *  0.0587% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  14.60 +/- 3.09   0.461% *  0.0221% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  22.16 +/- 5.22   0.139% *  0.0357% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.22 +/- 2.91   0.451% *  0.0109% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  14.01 +/- 1.81   0.290% *  0.0099% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  12.04 +/- 2.81   0.699% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.25 +/- 1.62   0.094% *  0.0242% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  18.62 +/- 3.63   0.142% *  0.0160% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  18.49 +/- 3.74   0.235% *  0.0091% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  18.42 +/- 4.84   0.127% *  0.0116% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  19.71 +/- 5.76   0.157% *  0.0052% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 160.1:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.23 +/- 0.25  79.654% * 94.6216% (1.00  10.0 10.00   4.75 160.16) =  99.960%  kept
        T QD    LYS+  38 - QB    LYS+ 102  13.94 +/- 4.54   1.786% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.018%
        T QD    LYS+ 102 - HB    VAL   41  12.80 +/- 3.31   0.731% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HB    VAL   41  10.83 +/- 1.39   0.895% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - QB    LYS+ 102  19.33 +/- 3.53   0.278% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   93 - HB    VAL   41  18.21 +/- 2.96   0.346% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU  123 - HB    VAL   41  20.67 +/- 5.88   0.314% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   93 - QB    LYS+ 102  20.67 +/- 1.95   0.128% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HB    VAL   41  15.12 +/- 2.31   0.386% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QB    LYS+ 102   7.13 +/- 1.44   4.279% *  0.0211% (0.22   1.0  1.00   0.02   1.38) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+ 102  22.52 +/- 2.44   0.102% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB    VAL   41   9.95 +/- 3.15   3.057% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QB    LYS+ 102   8.95 +/- 1.16   1.611% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB    VAL   41  23.85 +/- 3.30   0.103% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41  10.05 +/- 4.41   2.654% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  16.25 +/- 3.54   0.389% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  15.73 +/- 5.46   0.401% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  20.32 +/- 4.71   0.149% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.83 +/- 3.11   0.529% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  16.87 +/- 5.53   0.551% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  17.22 +/- 3.88   0.315% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  14.09 +/- 2.93   0.433% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  12.35 +/- 2.95   0.798% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  21.13 +/- 1.64   0.109% *  0.0536% (0.57   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 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 0.99, support = 4.69, residual support = 157.9:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.68 +/- 0.55  81.986% * 82.4067% (1.00 10.00   4.75 160.16) =  98.593%  kept
        T QE    LYS+  99 - HB    VAL   41   9.27 +/- 4.35   6.527% * 12.8887% (0.31 10.00   1.01   0.02) =   1.228%  kept
        T QE    LYS+  38 - HB    VAL   41  10.98 +/- 2.04   2.351% *  3.0076% (0.41 10.00   0.18   0.02) =   0.103%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.77 +/- 1.15   6.238% *  0.5661% (0.69 10.00   0.02   1.38) =   0.052%
        T QE    LYS+  38 - QB    LYS+ 102  14.01 +/- 4.19   1.581% *  0.7607% (0.92 10.00   0.02   0.02) =   0.018%
        T QE    LYS+ 102 - HB    VAL   41  12.98 +/- 3.01   1.316% *  0.3703% (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 = 160.2:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.00 +/- 0.65  96.640% * 99.7392% (1.00  10.0 10.00   5.75 160.16) =  99.998%  kept
          HA    CYS   21 - HG2   LYS+ 102  21.94 +/- 5.54   0.867% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HG2   LYS+ 102  22.72 +/- 5.50   1.564% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  23.03 +/- 1.74   0.336% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  28.78 +/- 5.73   0.247% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  27.03 +/- 4.58   0.346% *  0.0447% (0.45   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 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 5.31, residual support = 159.6:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.38 +/- 0.15  92.949% * 91.6859% (1.00  10.0 10.00   5.31 160.16) =  99.605%  kept
          HG12  ILE  103 - HG2   LYS+ 102   6.99 +/- 0.83   4.796% *  6.9021% (0.34   1.0  1.00   4.41  23.49) =   0.387%  kept
        T HB    VAL   41 - HG2   LYS+ 102  13.30 +/- 3.93   0.901% *  0.4463% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  66 - HG2   LYS+ 102  20.42 +/- 3.80   0.315% *  0.6298% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HG2   LYS+ 102  19.12 +/- 4.22   0.284% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  21.15 +/- 3.15   0.203% *  0.0899% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  23.57 +/- 5.32   0.237% *  0.0446% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.55 +/- 2.14   0.110% *  0.0846% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  24.16 +/- 5.20   0.130% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  27.88 +/- 3.32   0.075% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 160.1:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  94.655% * 96.7067% (1.00  10.0 10.00   4.42 160.16) =  99.992%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.57 +/- 1.67   0.498% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - HG2   LYS+ 102  19.44 +/- 4.18   0.104% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HG2   LYS+ 102   6.51 +/- 1.13   2.684% *  0.0330% (0.34   1.0  1.00   0.02   1.61) =   0.001%
        T HG3   LYS+  65 - HG2   LYS+ 102  24.54 +/- 3.50   0.044% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.35 +/- 1.17   1.129% *  0.0269% (0.28   1.0  1.00   0.02   1.61) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  15.49 +/- 3.09   0.175% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  19.11 +/- 4.55   0.152% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  17.00 +/- 3.17   0.184% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  25.14 +/- 6.28   0.112% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.39 +/- 2.14   0.030% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.69 +/- 1.96   0.048% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  21.49 +/- 5.76   0.083% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  21.28 +/- 4.37   0.101% *  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 = 160.2:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.27 +/- 0.15  94.252% * 98.2489% (1.00  10.0 10.00   4.42 160.16) =  99.996%  kept
        T QD    LYS+  65 - HG2   LYS+ 102  22.52 +/- 3.94   0.183% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG2   LYS+ 102  15.78 +/- 5.32   0.992% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG2   LYS+ 102   8.86 +/- 1.28   2.213% *  0.0219% (0.22   1.0  1.00   0.02   1.38) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+ 102  26.61 +/- 2.65   0.066% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.22 +/- 1.83   1.035% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  18.84 +/- 3.58   0.310% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  18.85 +/- 6.58   0.316% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  19.83 +/- 4.51   0.324% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  23.94 +/- 5.68   0.132% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.32 +/- 2.28   0.093% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  24.71 +/- 2.13   0.083% *  0.0556% (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 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 160.1:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.05 +/- 0.51  92.654% * 98.4155% (1.00  10.0 10.00   4.42 160.16) =  99.939%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.44 +/- 1.09   4.574% *  0.6760% (0.69   1.0 10.00   0.02   1.38) =   0.034%
        T QE    LYS+  38 - HG2   LYS+ 102  15.91 +/- 4.94   2.773% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.028%
    Distance limit 4.80 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 = 160.1:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.12 +/- 0.70  75.327% * 97.9004% (1.00  10.0 10.00   5.05 160.16) =  99.974%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.75 +/- 1.03   3.718% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.009%
        T HA    LYS+ 102 - HG3   LYS+  33  18.25 +/- 3.58   0.636% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 102 - HG3   LYS+  65  22.97 +/- 3.27   0.344% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.004%
          HA    CYS   21 - HG3   LYS+  65  14.10 +/- 3.29   2.974% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYS   21 - HG3   LYS+  33  11.19 +/- 2.15   2.578% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HG3   LYS+ 102  22.08 +/- 5.71   1.240% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HG3   LYS+  65  18.72 +/- 4.87   0.921% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HG3   LYS+  65  16.69 +/- 4.66   1.273% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HG3   LYS+  65  12.32 +/- 2.43   1.971% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  22.86 +/- 5.58   1.199% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  27.26 +/- 4.95   0.683% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  12.37 +/- 1.12   1.605% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.07 +/- 0.42   1.632% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.52 +/- 1.99   0.292% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  22.22 +/- 2.98   0.306% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  28.72 +/- 6.01   0.168% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  19.50 +/- 3.36   0.670% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  26.95 +/- 4.72   0.182% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  25.83 +/- 3.17   0.288% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  18.57 +/- 3.76   0.762% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  20.83 +/- 4.46   0.433% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.57 +/- 2.07   0.141% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.63 +/- 2.92   0.656% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.902, support = 5.2, residual support = 157.0:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.35 +/- 0.18  34.562% * 49.4944% (1.00  10.0 10.00   4.75 160.16) =  54.391%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.34 +/- 0.12  34.732% * 39.4806% (0.80  10.0  1.00   5.80 159.04) =  43.599%  kept
          QB    LYS+  66 - HG3   LYS+  65   5.21 +/- 1.50   9.593% *  5.9244% (0.56   1.0  1.00   4.28  29.94) =   1.807%  kept
          HG12  ILE  103 - HG3   LYS+ 102   6.81 +/- 0.94   1.776% *  3.2665% (0.34   1.0  1.00   3.87  23.49) =   0.184%  kept
          HB2   LEU   71 - HG3   LYS+  33   9.51 +/- 3.70   7.712% *  0.0237% (0.48   1.0  1.00   0.02   0.02) =   0.006%
        T HB    VAL   41 - HG3   LYS+ 102  13.54 +/- 3.80   0.284% *  0.2409% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HG3   LYS+  33  10.33 +/- 2.09   0.536% *  0.1197% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.10 +/- 0.72   0.636% *  0.0902% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+  33  17.24 +/- 3.46   0.117% *  0.2459% (0.50   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  65  12.01 +/- 4.10   1.378% *  0.0196% (0.40   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  65  21.07 +/- 3.14   0.063% *  0.4028% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+  65  15.89 +/- 1.83   0.125% *  0.1961% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  65  12.94 +/- 2.38   0.542% *  0.0389% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+ 106  12.42 +/- 3.40   0.436% *  0.0439% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  33  12.68 +/- 2.79   1.023% *  0.0120% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  16.08 +/- 3.26   0.445% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.12 +/- 1.53   3.162% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  16.73 +/- 3.54   0.226% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  16.54 +/- 3.52   0.310% *  0.0169% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  19.48 +/- 3.61   0.077% *  0.0478% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  20.52 +/- 3.70   0.097% *  0.0340% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  21.23 +/- 3.21   0.061% *  0.0485% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  15.97 +/- 3.70   0.460% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.23 +/- 2.29   0.046% *  0.0457% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.48 +/- 1.06   0.199% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  16.32 +/- 3.63   0.251% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  23.80 +/- 5.27   0.062% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  16.36 +/- 2.16   0.128% *  0.0088% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  20.07 +/- 3.30   0.076% *  0.0137% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  17.81 +/- 2.76   0.096% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  18.19 +/- 2.34   0.088% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  24.92 +/- 2.38   0.033% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.04 +/- 7.05   0.163% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.41 +/- 2.67   0.093% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.04 +/- 4.09   0.109% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  24.03 +/- 5.41   0.046% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.68 +/- 3.47   0.032% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.39 +/- 2.49   0.098% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  17.88 +/- 3.48   0.097% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  27.58 +/- 3.96   0.030% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 0.989, support = 4.41, residual support = 155.5:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  63.237% * 84.7930% (1.00  10.0 10.00   4.42 160.16) =  96.442%  kept
          QG    LYS+  66 - HG3   LYS+  65   5.16 +/- 2.03  15.723% * 12.3951% (0.71   1.0  1.00   4.14  29.94) =   3.505%  kept
          QB    ALA   61 - HG3   LYS+  65   5.69 +/- 2.21  11.932% *  0.2162% (0.43   1.0  1.00   0.12   0.02) =   0.046%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.57 +/- 1.67   0.336% *  0.1545% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HG3   LYS+  65   8.79 +/- 1.60   0.858% *  0.0474% (0.56   1.0  1.00   0.02   0.34) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   7.80 +/- 0.95   0.802% *  0.0474% (0.56   1.0  1.00   0.02   0.34) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+  33  19.44 +/- 4.18   0.070% *  0.4212% (0.50   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HG3   LYS+  33   9.81 +/- 2.30   0.530% *  0.0413% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  24.54 +/- 3.50   0.029% *  0.6900% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  12.40 +/- 2.06   0.244% *  0.0676% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  14.66 +/- 3.63   0.473% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  11.57 +/- 2.02   0.329% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  16.95 +/- 3.75   0.287% *  0.0365% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  15.59 +/- 3.82   0.131% *  0.0679% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  13.62 +/- 1.23   0.143% *  0.0553% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  18.93 +/- 4.35   0.085% *  0.0831% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.61 +/- 1.39   0.665% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  15.18 +/- 2.40   0.124% *  0.0553% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.94 +/- 3.35   0.225% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  21.14 +/- 3.97   0.075% *  0.0736% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  14.83 +/- 3.23   0.181% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  18.25 +/- 3.87   0.150% *  0.0235% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.93 +/- 2.37   0.202% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.60 +/- 3.73   0.247% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  19.50 +/- 3.52   0.073% *  0.0446% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  12.07 +/- 2.07   0.243% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  20.83 +/- 3.11   0.050% *  0.0582% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.76 +/- 2.86   0.039% *  0.0679% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  21.35 +/- 2.77   0.043% *  0.0582% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  13.93 +/- 3.28   0.188% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  15.81 +/- 2.64   0.128% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  17.48 +/- 2.88   0.093% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  15.52 +/- 1.88   0.114% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  21.52 +/- 5.30   0.067% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  13.98 +/- 2.61   0.229% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  15.84 +/- 2.90   0.120% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  19.24 +/- 7.03   0.116% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  19.01 +/- 4.65   0.074% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  23.73 +/- 3.92   0.044% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  21.78 +/- 5.35   0.141% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  17.49 +/- 3.92   0.112% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.58 +/- 1.57   0.042% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.44 +/- 4.21   0.051% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.91 +/- 1.12   0.224% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  17.52 +/- 3.61   0.099% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  13.25 +/- 2.96   0.202% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.19 +/- 2.05   0.183% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.96 +/- 2.84   0.033% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  17.39 +/- 3.92   0.094% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  24.02 +/- 3.10   0.032% *  0.0130% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  24.76 +/- 3.79   0.035% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.77 +/- 2.51   0.053% *  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 = 0.796, support = 4.09, residual support = 159.0:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.43 +/- 0.13  28.749% * 63.6907% (1.00  10.0 10.00   4.00 160.16) =  64.549%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.36 +/- 0.15  31.225% * 29.3443% (0.46  10.0 10.00   4.23 159.04) =  32.301%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.38 +/- 0.15  30.667% *  2.8935% (0.05  10.0  1.00   4.62 134.65) =   3.128%  kept
        T QD    LYS+  65 - HG3   LYS+  33  16.91 +/- 3.42   0.588% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU   73 - HG3   LYS+  65  11.52 +/- 2.31   0.436% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG3   LYS+ 106   9.98 +/- 1.74   0.717% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU   73 - HG3   LYS+  33  10.73 +/- 2.03   0.450% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+  33  18.54 +/- 3.53   0.087% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 102  19.98 +/- 4.48   0.094% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  65  22.65 +/- 3.08   0.042% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 102  22.59 +/- 4.06   0.054% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 102  16.18 +/- 5.03   0.372% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+ 106  15.84 +/- 2.98   0.236% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.94 +/- 2.84   0.044% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+  33  10.28 +/- 1.37   0.482% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  26.09 +/- 2.61   0.027% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  17.59 +/- 3.18   0.174% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   9.17 +/- 1.23   0.683% *  0.0142% (0.22   1.0  1.00   0.02   1.38) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  17.13 +/- 3.90   0.192% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  16.71 +/- 3.58   0.163% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  18.59 +/- 3.82   0.227% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.78 +/- 1.87   0.447% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.66 +/- 7.33   0.227% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  16.39 +/- 3.06   0.136% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  17.71 +/- 4.34   0.199% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.70 +/- 3.04   0.193% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  18.69 +/- 4.08   0.110% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  18.66 +/- 6.71   0.129% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  30.74 +/- 4.12   0.019% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  14.57 +/- 4.73   0.539% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  19.41 +/- 2.79   0.084% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  22.37 +/- 6.00   0.179% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  23.81 +/- 5.84   0.046% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  12.23 +/- 4.81   0.403% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.02 +/- 2.34   0.038% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  19.09 +/- 5.02   0.100% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  14.11 +/- 3.37   0.266% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.34 +/- 0.96   0.145% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  17.58 +/- 3.20   0.120% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  24.41 +/- 2.04   0.031% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  18.38 +/- 2.21   0.080% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  11.03 +/- 1.04   0.379% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.01 +/- 2.72   0.032% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  17.97 +/- 3.64   0.089% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  14.92 +/- 1.41   0.137% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  19.26 +/- 2.72   0.072% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  25.55 +/- 2.55   0.032% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.84 +/- 2.18   0.058% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 160.1:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.39 +/- 0.37  88.137% * 94.7812% (1.00  10.0 10.00   4.00 160.16) =  99.946%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.86 +/- 1.09   1.642% *  0.6511% (0.69   1.0 10.00   0.02   1.38) =   0.013%
        T QE    LYS+  38 - HG3   LYS+  33  10.37 +/- 2.02   2.185% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.011%
        T QE    LYS+  38 - HG3   LYS+ 102  16.29 +/- 4.63   0.748% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.68 +/- 2.29   2.758% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  99 - HG3   LYS+  33  13.56 +/- 4.38   1.300% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  38 - HG3   LYS+  65  18.93 +/- 3.41   0.327% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG3   LYS+ 106  11.47 +/- 1.68   1.890% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG3   LYS+  65  17.00 +/- 2.69   0.322% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  33  18.68 +/- 3.19   0.319% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  65  22.76 +/- 3.14   0.158% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG3   LYS+ 106  19.17 +/- 2.36   0.213% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.1:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.33 +/- 0.78  65.893% * 99.0980% (1.00 10.00   5.05 160.16) =  99.988%  kept
          HA1   GLY  109 - HD2   LYS+ 111   7.66 +/- 1.96  10.691% *  0.0126% (0.13  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 102 - QD    LYS+  65  21.10 +/- 3.76   0.505% *  0.2505% (0.25 10.00   0.02   0.02) =   0.002%
          HA    CYS   21 - QD    LYS+ 102  20.44 +/- 4.93   1.522% *  0.0828% (0.84  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - QD    LYS+  65  13.03 +/- 3.10   3.635% *  0.0209% (0.21  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - HD2   LYS+ 111  24.89 +/- 2.75   0.237% *  0.2591% (0.26 10.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QD    LYS+  65  16.58 +/- 4.44   2.753% *  0.0162% (0.16  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QD    LYS+  65  14.75 +/- 4.27   3.917% *  0.0112% (0.11  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QD    LYS+ 102  24.08 +/- 4.17   0.700% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  25.66 +/- 5.22   0.464% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.13 +/- 4.84   1.396% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  11.34 +/- 2.74   4.778% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.97 +/- 1.85   0.447% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  18.53 +/- 3.59   0.873% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.16 +/- 2.97   1.135% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  26.54 +/- 5.13   0.316% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  19.92 +/- 2.94   0.489% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  25.96 +/- 3.89   0.248% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (1.81, 1.68, 29.29 ppm):
    30 chemical-shift based assignments, quality = 0.831, support = 4.84, residual support = 158.0:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.23 +/- 0.25  37.585% * 70.3370% (1.00  10.0 10.00   4.75 160.16) =  77.617%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.14 +/- 0.13  41.036% * 17.4259% (0.25  10.0 10.00   5.28 159.04) =  20.995%  kept
          QB    LYS+  66 - QD    LYS+  65   5.22 +/- 1.24   8.400% *  2.6676% (0.17   1.0  1.00   4.37  29.94) =   0.658%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.66 +/- 3.74   6.728% *  1.9084% (0.24   1.0 10.00   0.22   0.02) =   0.377%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.40 +/- 1.00   2.501% *  4.6893% (0.34   1.0  1.00   3.91  23.49) =   0.344%  kept
        T HB    VAL   41 - QD    LYS+ 102  12.80 +/- 3.31   0.293% *  0.3424% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+  65 - QD    LYS+ 102  19.51 +/- 2.74   0.067% *  0.6894% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+  65  15.04 +/- 3.22   0.257% *  0.1641% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+ 102  20.87 +/- 1.80   0.052% *  0.6493% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QD    LYS+  65  19.33 +/- 3.53   0.095% *  0.1778% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  15.12 +/- 2.31   0.157% *  0.0865% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.63 +/- 2.61   0.074% *  0.1802% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.52 +/- 2.44   0.042% *  0.1839% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  14.18 +/- 2.80   0.242% *  0.0274% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  65  11.44 +/- 3.82   0.768% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  18.15 +/- 3.48   0.096% *  0.0679% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  21.65 +/- 4.45   0.054% *  0.1085% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  12.58 +/- 2.09   0.318% *  0.0172% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.85 +/- 3.32   0.106% *  0.0483% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.85 +/- 3.30   0.037% *  0.0895% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.11 +/- 4.73   0.072% *  0.0342% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  18.47 +/- 1.79   0.071% *  0.0284% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  20.20 +/- 3.95   0.153% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  12.29 +/- 3.56   0.389% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  18.43 +/- 3.81   0.138% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  26.93 +/- 4.20   0.031% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  24.73 +/- 2.86   0.036% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  21.07 +/- 2.87   0.059% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  16.23 +/- 2.48   0.123% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  29.38 +/- 3.91   0.020% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 0.989, support = 4.42, residual support = 158.3:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.27 +/- 0.15  47.779% * 92.8607% (1.00  10.0 10.00   4.42 160.16) =  98.613%  kept
          QG    LYS+  66 - QD    LYS+  65   5.03 +/- 1.33   9.915% *  4.6002% (0.22   1.0  1.00   4.52  29.94) =   1.014%  kept
          QB    ALA  110 - HD2   LYS+ 111   5.26 +/- 1.62  14.336% *  1.1408% (0.08   1.0  1.00   3.05   9.12) =   0.363%  kept
          QB    ALA   61 - QD    LYS+  65   4.99 +/- 2.17  18.501% *  0.0123% (0.13   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   LYS+ 102 - QD    LYS+  65  22.52 +/- 3.94   0.089% *  0.2347% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.04 +/- 0.71   1.220% *  0.0161% (0.17   1.0  1.00   0.02   0.34) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  14.64 +/- 3.66   0.254% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   8.79 +/- 1.13   1.141% *  0.0161% (0.17   1.0  1.00   0.02   0.34) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  17.60 +/- 4.06   0.202% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   9.49 +/- 1.03   0.713% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  19.38 +/- 3.45   0.160% *  0.0805% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  11.69 +/- 2.03   0.469% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  26.61 +/- 2.65   0.032% *  0.2428% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  17.84 +/- 3.16   0.159% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  19.56 +/- 4.29   0.213% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.13 +/- 1.66   1.066% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.60 +/- 2.38   0.086% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  19.28 +/- 3.09   0.098% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.56 +/- 2.28   0.300% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  13.14 +/- 1.56   0.299% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  19.77 +/- 2.76   0.086% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  17.00 +/- 3.96   0.167% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  19.95 +/- 3.92   0.171% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.35 +/- 1.69   0.095% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  19.91 +/- 3.76   0.109% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  12.25 +/- 2.18   0.394% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  16.69 +/- 3.69   0.283% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.74 +/- 2.36   0.309% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  16.34 +/- 1.65   0.141% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  24.21 +/- 4.90   0.106% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.63 +/- 2.38   0.073% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  14.05 +/- 2.02   0.280% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  13.16 +/- 1.14   0.269% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  23.69 +/- 4.55   0.089% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  24.12 +/- 4.47   0.060% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.60 +/- 2.69   0.189% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  23.83 +/- 3.17   0.055% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  24.21 +/- 4.03   0.056% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  27.84 +/- 4.11   0.033% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.838, support = 4.05, residual support = 159.5:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.43 +/- 0.13  38.915% * 72.7040% (1.00  10.0 10.00   4.00 160.16) =  78.535%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.36 +/- 0.15  42.275% * 18.0123% (0.25  10.0 10.00   4.23 159.04) =  21.137%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   7.22 +/- 1.18   2.302% *  4.4660% (0.26   1.0  1.00   4.74  28.70) =   0.285%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.98 +/- 1.74   0.960% *  0.6878% (0.95   1.0 10.00   0.02   0.02) =   0.018%
        T HB3   PRO   93 - HD2   LYS+ 111  10.87 +/- 3.33   2.017% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - QD    LYS+  65  16.91 +/- 3.42   0.835% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   LEU   73 - QD    LYS+ 102  17.85 +/- 4.21   0.169% *  0.7254% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD    LYS+ 102   6.35 +/- 1.39   3.547% *  0.0248% (0.34   1.0  1.00   0.02   1.61) =   0.002%
        T HG3   LYS+  33 - QD    LYS+ 102  18.54 +/- 3.53   0.117% *  0.6878% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HD2   LYS+ 111  15.84 +/- 2.98   0.315% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QD    LYS+ 102  22.65 +/- 3.08   0.056% *  0.7126% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+  65  17.59 +/- 3.18   0.225% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   8.09 +/- 1.38   1.470% *  0.0202% (0.28   1.0  1.00   0.02   1.61) =   0.001%
          HB    VAL   42 - QD    LYS+ 102  14.51 +/- 2.70   0.230% *  0.0713% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  11.00 +/- 2.46   0.767% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  22.59 +/- 4.06   0.071% *  0.1838% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  23.76 +/- 4.24   0.063% *  0.1896% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.94 +/- 2.84   0.059% *  0.1863% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  11.49 +/- 1.69   0.491% *  0.0180% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.18 +/- 2.75   0.260% *  0.0273% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  26.09 +/- 2.61   0.037% *  0.1901% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  23.47 +/- 5.53   0.129% *  0.0441% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  10.14 +/- 3.33   1.733% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  30.74 +/- 4.12   0.026% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  15.57 +/- 2.35   0.202% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.34 +/- 2.06   0.049% *  0.0721% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  13.50 +/- 3.07   0.425% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  16.49 +/- 3.73   0.246% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.94 +/- 3.70   0.357% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.22 +/- 1.66   0.075% *  0.0299% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  20.61 +/- 3.30   0.106% *  0.0186% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  19.30 +/- 4.83   0.109% *  0.0144% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.15 +/- 3.14   0.216% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  15.24 +/- 2.42   0.229% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  19.76 +/- 3.97   0.121% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.84 +/- 3.07   0.192% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.32 +/- 3.09   0.247% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.90 +/- 2.85   0.119% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.20 +/- 3.06   0.070% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.11 +/- 1.62   0.074% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  23.53 +/- 3.76   0.075% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  32.85 +/- 4.07   0.019% *  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 = 160.1:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.10 +/- 0.03  96.970% * 97.1326% (1.00  10.0 10.00   4.00 160.16) =  99.982%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.25 +/- 1.17   1.393% *  0.6672% (0.69   1.0 10.00   0.02   1.38) =   0.010%
        T QE    LYS+  38 - QD    LYS+ 102  15.28 +/- 4.33   0.635% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  99 - QD    LYS+  65  15.73 +/- 2.42   0.340% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - QD    LYS+  65  17.83 +/- 3.08   0.235% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - QD    LYS+  65  20.81 +/- 3.57   0.165% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  22.80 +/- 2.98   0.095% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  23.16 +/- 3.64   0.122% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  29.05 +/- 4.04   0.045% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 160.1:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.47 +/- 0.37  79.831% * 98.6090% (1.00 10.00   5.05 160.16) =  99.944%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.99 +/- 0.61   5.184% *  0.6725% (0.68 10.00   0.02   1.38) =   0.044%
        T HA    LYS+ 102 - QE    LYS+  38  15.58 +/- 3.97   2.019% *  0.2257% (0.23 10.00   0.02   0.02) =   0.006%
          HA    CYS   21 - QE    LYS+ 102  20.42 +/- 4.91   1.951% *  0.0824% (0.84  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - QE    LYS+  99  16.73 +/- 3.01   1.382% *  0.0562% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - QE    LYS+ 102  21.14 +/- 4.80   1.772% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  16.92 +/- 3.18   2.367% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.58 +/- 2.40   0.593% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  25.59 +/- 5.56   0.402% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  24.05 +/- 4.30   0.496% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  17.76 +/- 2.63   0.912% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  22.44 +/- 3.78   0.542% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  24.28 +/- 4.43   0.332% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.78 +/- 2.31   0.436% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  27.66 +/- 5.49   0.354% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  18.14 +/- 2.87   0.964% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  26.06 +/- 3.55   0.259% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.96 +/- 2.49   0.206% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.985, support = 4.68, residual support = 156.8:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.68 +/- 0.55  56.603% * 78.8237% (1.00 10.00   4.75 160.16) =  97.783%  kept
        T HB    VAL   41 - QE    LYS+  99   9.27 +/- 4.35   4.534% * 13.2592% (0.33 10.00   1.01   0.02) =   1.318%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.17 +/- 0.97   6.053% *  5.3423% (0.34  1.00   3.97  23.49) =   0.709%  kept
          HG12  ILE  103 - QE    LYS+  99   9.25 +/- 1.39   7.307% *  0.7239% (0.23  1.00   0.79   0.53) =   0.116%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.77 +/- 1.15   4.246% *  0.5376% (0.68 10.00   0.02   1.38) =   0.050%
        T HB    VAL   41 - QE    LYS+ 102  12.98 +/- 3.01   0.897% *  0.3837% (0.49 10.00   0.02   0.02) =   0.008%
        T QB    LYS+ 102 - QE    LYS+  38  14.01 +/- 4.19   1.095% *  0.1804% (0.23 10.00   0.02   0.02) =   0.004%
        T HB    VAL   41 - QE    LYS+  38  10.98 +/- 2.04   1.561% *  0.0878% (0.11 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - QE    LYS+  99  13.55 +/- 3.94   3.269% *  0.0369% (0.47  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - QE    LYS+  99  11.45 +/- 5.42   1.791% *  0.0519% (0.66  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QE    LYS+  38  10.18 +/- 2.08   2.548% *  0.0174% (0.22  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+  99  14.53 +/- 2.16   0.727% *  0.0527% (0.67  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+ 102  19.59 +/- 2.74   0.286% *  0.0773% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  18.43 +/- 2.98   0.258% *  0.0761% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  19.00 +/- 3.30   0.327% *  0.0541% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.08 +/- 4.66   0.498% *  0.0262% (0.33  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.18 +/- 2.79   0.258% *  0.0496% (0.63  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  20.61 +/- 2.25   0.151% *  0.0728% (0.92  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  22.24 +/- 7.38   3.608% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  15.81 +/- 3.15   0.698% *  0.0124% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  16.78 +/- 2.91   0.482% *  0.0177% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  15.88 +/- 3.16   0.892% *  0.0088% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  22.25 +/- 4.59   0.178% *  0.0384% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  18.09 +/- 4.96   0.425% *  0.0083% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.24 +/- 3.94   0.325% *  0.0083% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  16.35 +/- 2.91   0.428% *  0.0062% (0.08  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  24.64 +/- 4.04   0.153% *  0.0167% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  21.57 +/- 4.51   0.178% *  0.0122% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  24.60 +/- 3.02   0.116% *  0.0122% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  27.14 +/- 4.51   0.106% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.996, support = 4.39, residual support = 158.9:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.05 +/- 0.51  46.917% * 95.4627% (1.00  10.0 10.00   4.42 160.16) =  99.196%  kept
          HG    LEU   40 - QE    LYS+  99   7.85 +/- 6.00  13.357% *  2.4891% (0.55   1.0  1.00   0.95   9.29) =   0.736%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.44 +/- 1.09   2.301% *  0.6510% (0.68   1.0 10.00   0.02   1.38) =   0.033%
        T HG2   LYS+ 102 - QE    LYS+  38  15.91 +/- 4.94   1.400% *  0.2185% (0.23   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   67 - QE    LYS+  99  12.60 +/- 5.59   5.461% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.005%
          QG    LYS+  66 - QE    LYS+  99  14.01 +/- 3.76   4.076% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   67 - QE    LYS+  99  13.20 +/- 5.12   2.739% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - QE    LYS+  99  13.37 +/- 3.25   1.360% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - QE    LYS+  38   9.02 +/- 2.18   3.472% *  0.0175% (0.18   1.0  1.00   0.02   0.78) =   0.001%
          HG    LEU   67 - QE    LYS+  38  13.68 +/- 3.57   3.462% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QE    LYS+  99  13.84 +/- 2.99   1.430% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+ 102  14.89 +/- 3.14   0.626% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+ 102  17.68 +/- 3.70   0.396% *  0.0936% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+  38  14.17 +/- 3.36   2.186% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+ 102  19.54 +/- 3.51   0.381% *  0.0828% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+  38  16.15 +/- 3.91   1.371% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QE    LYS+ 102  17.90 +/- 3.18   0.459% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+ 102  19.37 +/- 2.59   0.277% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  19.52 +/- 2.86   0.267% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  17.75 +/- 1.88   0.297% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  19.98 +/- 2.49   0.234% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  14.59 +/- 2.41   0.686% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  15.16 +/- 3.98   0.846% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.40 +/- 3.53   0.839% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  16.85 +/- 4.10   0.565% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.04 +/- 2.24   0.329% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  19.49 +/- 4.41   0.264% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  15.77 +/- 4.08   0.670% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  18.25 +/- 2.39   0.341% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  20.03 +/- 3.47   0.257% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  13.66 +/- 3.06   1.026% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.41 +/- 2.55   0.230% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  19.30 +/- 3.34   0.231% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  18.72 +/- 1.77   0.247% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  23.00 +/- 3.58   0.134% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  22.52 +/- 4.95   0.273% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  19.84 +/- 5.23   0.317% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  22.84 +/- 3.21   0.163% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  23.97 +/- 3.39   0.114% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 0.996, support = 4.0, residual support = 159.4:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.39 +/- 0.37  63.546% * 87.1539% (1.00  10.0 10.00   4.00 160.16) =  99.455%  kept
          QB    LEU   98 - QE    LYS+  99   6.48 +/- 0.52   4.355% *  4.2739% (0.23   1.0  1.00   4.22  17.51) =   0.334%  kept
          HG    LEU   98 - QE    LYS+  99   7.85 +/- 1.38   3.096% *  2.1436% (0.19   1.0  1.00   2.59  17.51) =   0.119%  kept
        T HG3   LYS+ 106 - QE    LYS+ 102   9.68 +/- 2.29   1.980% *  0.8244% (0.95   1.0 10.00   0.02   0.02) =   0.029%
        T HG3   LYS+ 106 - QE    LYS+  99  11.47 +/- 1.68   1.340% *  0.5623% (0.65   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   LYS+ 102 - QE    LYS+  99   9.86 +/- 1.09   1.175% *  0.5944% (0.68   1.0 10.00   0.02   1.38) =   0.013%
        T HG3   LYS+  33 - QE    LYS+  99  13.56 +/- 4.38   0.931% *  0.5623% (0.65   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  33 - QE    LYS+  38  10.37 +/- 2.02   1.558% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - QE    LYS+ 102  18.68 +/- 3.19   0.228% *  0.8244% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QE    LYS+  99   9.66 +/- 4.07   2.736% *  0.0583% (0.67   1.0  1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QE    LYS+ 102   6.50 +/- 1.18   5.035% *  0.0297% (0.34   1.0  1.00   0.02   1.61) =   0.003%
        T HG3   LYS+  65 - QE    LYS+  99  17.00 +/- 2.69   0.231% *  0.5826% (0.67   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - QE    LYS+  38  16.29 +/- 4.63   0.542% *  0.1995% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QE    LYS+ 102  22.76 +/- 3.14   0.113% *  0.8543% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QE    LYS+ 102   8.29 +/- 1.03   2.293% *  0.0242% (0.28   1.0  1.00   0.02   1.61) =   0.001%
        T HG3   LYS+  65 - QE    LYS+  38  18.93 +/- 3.41   0.233% *  0.1955% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  99  13.99 +/- 2.93   0.700% *  0.0593% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+ 102  17.91 +/- 3.93   0.428% *  0.0870% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+ 102  14.64 +/- 2.42   0.386% *  0.0854% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  38  19.17 +/- 2.36   0.153% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QE    LYS+ 102  14.92 +/- 3.06   0.552% *  0.0327% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  12.62 +/- 2.10   0.864% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  18.40 +/- 5.42   0.408% *  0.0361% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.66 +/- 5.56   0.222% *  0.0529% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  15.86 +/- 5.76   0.788% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  15.38 +/- 2.32   0.418% *  0.0199% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  16.36 +/- 2.27   0.373% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  15.93 +/- 3.89   0.657% *  0.0121% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.10 +/- 2.48   0.083% *  0.0864% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.61 +/- 1.94   0.107% *  0.0589% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  19.41 +/- 7.22   1.482% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  12.75 +/- 2.89   0.704% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.94 +/- 2.10   0.191% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.01 +/- 1.94   0.130% *  0.0358% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  19.29 +/- 4.85   0.250% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.19 +/- 2.97   0.407% *  0.0092% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  19.78 +/- 3.73   0.267% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  14.76 +/- 2.71   0.373% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  26.44 +/- 4.02   0.096% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  23.08 +/- 4.04   0.155% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  20.17 +/- 2.36   0.141% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  18.07 +/- 3.23   0.275% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.789, support = 4.01, residual support = 170.1:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.10 +/- 0.03  30.219% * 72.2175% (1.00  10.0 10.00   4.00 160.16) =  74.603%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  30.565% * 13.2369% (0.18  10.0  1.00   3.74 220.04) =  13.831%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.08 +/- 0.03  30.786% * 10.9650% (0.15  10.0 10.00   4.41 174.65) =  11.540%  kept
        T QD    LYS+ 102 - QE    LYS+  99   9.25 +/- 1.17   0.440% *  0.4925% (0.68   1.0 10.00   0.02   1.38) =   0.007%
        T QD    LYS+ 106 - QE    LYS+ 102   9.23 +/- 2.35   0.663% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - QE    LYS+  38  10.62 +/- 5.48   2.811% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - QE    LYS+ 102   9.09 +/- 1.00   0.427% *  0.1608% (0.22   1.0 10.00   0.02   1.38) =   0.002%
          QD    LYS+  38 - QE    LYS+  99   9.89 +/- 5.63   1.299% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - QE    LYS+  99  11.53 +/- 2.05   0.398% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  38  15.28 +/- 4.33   0.199% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+  99  15.73 +/- 2.42   0.104% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 102  20.81 +/- 3.57   0.050% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+ 102  22.80 +/- 2.98   0.029% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  23.16 +/- 3.64   0.036% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  15.57 +/- 4.31   0.180% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  14.32 +/- 5.35   0.271% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  17.83 +/- 3.08   0.072% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  16.71 +/- 5.83   0.137% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  16.90 +/- 3.46   0.105% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  17.97 +/- 5.42   0.101% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  22.60 +/- 7.25   0.228% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.57 +/- 2.74   0.071% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  17.42 +/- 2.42   0.094% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  21.37 +/- 4.85   0.041% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  14.49 +/- 2.83   0.131% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.35 +/- 2.18   0.034% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  18.56 +/- 3.82   0.077% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  18.36 +/- 2.03   0.052% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  29.05 +/- 4.04   0.014% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.36 +/- 2.47   0.045% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  21.69 +/- 2.16   0.031% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  15.78 +/- 2.55   0.108% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  20.54 +/- 5.34   0.069% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  24.89 +/- 4.28   0.032% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  21.43 +/- 3.45   0.040% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  25.48 +/- 4.15   0.041% *  0.0094% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.769, support = 5.73, residual support = 138.3:
    * O T HB    ILE  103 - HA    ILE  103   3.00 +/- 0.02  27.211% * 78.9759% (1.00  10.0 10.00   5.66 139.04) =  71.006%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.35 +/- 0.22  54.999% * 15.6292% (0.20  10.0 10.00   5.98 139.04) =  28.402%  kept
          HB3   LYS+  38 - HA    THR   39   4.84 +/- 0.33   6.615% *  1.2814% (0.08   1.0  1.00   3.94  23.11) =   0.280%  kept
          HB3   ASP- 105 - HA    ILE  103   6.84 +/- 0.80   2.908% *  2.8749% (0.99   1.0  1.00   0.73   3.49) =   0.276%  kept
          QB    LYS+ 106 - HA    ILE  103   6.74 +/- 0.99   3.015% *  0.2891% (0.80   1.0  1.00   0.09   0.02) =   0.029%
        T HB    ILE  103 - HA    THR   39  17.51 +/- 3.32   0.165% *  0.2609% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    THR   39   8.92 +/- 1.08   1.299% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ILE  103  16.44 +/- 3.25   0.296% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ILE  103  19.10 +/- 4.37   0.229% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    ILE  103  17.98 +/- 3.10   0.261% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ILE  103  17.88 +/- 2.48   0.213% *  0.0708% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  12.97 +/- 2.15   0.517% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  21.94 +/- 6.92   0.651% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  16.91 +/- 3.48   0.217% *  0.0259% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  24.03 +/- 3.38   0.071% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  16.94 +/- 3.93   0.222% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  19.57 +/- 4.42   0.132% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.82 +/- 2.35   0.132% *  0.0296% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.42 +/- 2.90   0.112% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  17.35 +/- 2.26   0.159% *  0.0209% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  23.07 +/- 2.76   0.070% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  26.27 +/- 4.69   0.059% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  15.75 +/- 3.57   0.242% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  26.37 +/- 2.06   0.043% *  0.0234% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  22.19 +/- 2.80   0.090% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  26.47 +/- 4.09   0.073% *  0.0107% (0.14   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 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.902, support = 5.43, residual support = 138.3:
    * O T QG2   ILE  103 - HA    ILE  103   2.53 +/- 0.14  52.621% * 65.7120% (1.00  10.0 10.00   5.55 139.04) =  82.481%  kept
        T QD1   ILE  103 - HA    ILE  103   3.46 +/- 0.38  24.043% * 29.4608% (0.45   1.0 10.00   4.89 139.04) =  16.896%  kept
          QD2   LEU   40 - HA    THR   39   5.62 +/- 0.67   5.966% *  3.8847% (0.32   1.0  1.00   3.71  24.98) =   0.553%  kept
          QD2   LEU   71 - HA    THR   39   6.56 +/- 2.07   8.301% *  0.2958% (0.19   1.0  1.00   0.48   0.16) =   0.059%
          QD2   LEU   40 - HA    ILE  103   8.31 +/- 3.43   3.448% *  0.0634% (0.97   1.0  1.00   0.02   0.02) =   0.005%
        T QG2   ILE  103 - HA    THR   39  14.30 +/- 2.76   0.357% *  0.2171% (0.33   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    ILE  103  12.93 +/- 2.81   0.675% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    THR   39   9.37 +/- 1.82   1.800% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   ILE  103 - HA    THR   39  14.43 +/- 2.75   0.365% *  0.0973% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  103  17.61 +/- 3.64   0.396% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  14.17 +/- 2.71   0.478% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  14.23 +/- 2.10   0.413% *  0.0270% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  15.10 +/- 2.98   0.334% *  0.0183% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  17.44 +/- 2.17   0.183% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  15.21 +/- 2.04   0.322% *  0.0089% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  17.74 +/- 3.94   0.298% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.671, support = 5.13, residual support = 138.6:
    *   T QD1   ILE  103 - HA    ILE  103   3.46 +/- 0.38  24.222% * 77.2199% (0.92   1.0 10.00   4.89 139.04) =  62.643%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.53 +/- 0.14  53.010% * 20.8586% (0.25  10.0 10.00   5.55 139.04) =  37.033%  kept
          QD2   LEU   40 - HA    THR   39   5.62 +/- 0.67   6.011% *  0.7906% (0.05   1.0  1.00   3.71  24.98) =   0.159%  kept
          QD2   LEU   71 - HA    THR   39   6.56 +/- 2.07   8.362% *  0.5555% (0.28   1.0  1.00   0.48   0.16) =   0.156%  kept
        T QD1   ILE  103 - HA    THR   39  14.43 +/- 2.75   0.368% *  0.2551% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HA    ILE  103   8.31 +/- 3.43   3.473% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HA    ILE  103  14.17 +/- 2.71   0.481% *  0.0699% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    ILE  103  15.10 +/- 2.98   0.337% *  0.0835% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE  103 - HA    THR   39  14.30 +/- 2.76   0.359% *  0.0689% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    ILE  103  17.61 +/- 3.64   0.399% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  12.93 +/- 2.81   0.680% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.37 +/- 1.82   1.813% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  17.74 +/- 3.94   0.300% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  17.44 +/- 2.17   0.184% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 139.0:
    * O T HA    ILE  103 - HB    ILE  103   3.00 +/- 0.02  91.905% * 98.6567% (1.00  10.0 10.00   5.66 139.04) =  99.990%  kept
        T HA    THR   39 - HB    ILE  103  17.51 +/- 3.32   0.563% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.004%
          HB    THR   77 - HB    ILE  103  18.18 +/- 4.41   1.494% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HB    ILE  103  13.44 +/- 1.80   1.286% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB    ILE  103  15.49 +/- 2.90   1.020% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB    ILE  103  19.70 +/- 4.98   0.936% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB    ILE  103  14.09 +/- 2.81   1.444% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  24.86 +/- 4.39   0.335% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  32.51 +/- 6.30   0.148% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  20.73 +/- 2.47   0.351% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  25.01 +/- 5.26   0.351% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  30.37 +/- 5.97   0.168% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.86, 1.86, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  103 - HB    ILE  103  (1.00)  kept
 
    Peak 1256 (0.98, 1.86, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.832, support = 5.03, residual support = 139.0:
    * O T QG2   ILE  103 - HB    ILE  103   2.11 +/- 0.02  49.781% * 68.8462% (1.00  10.0 10.00   5.17 139.04) =  69.480%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.13 +/- 0.14  48.772% * 30.8659% (0.45  10.0 10.00   4.70 139.04) =  30.518%  kept
          QD2   LEU   40 - HB    ILE  103  10.47 +/- 2.97   0.627% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB    ILE  103  14.82 +/- 2.65   0.215% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.21 +/- 3.65   0.133% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  16.21 +/- 2.52   0.155% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  15.68 +/- 2.25   0.171% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  16.03 +/- 2.80   0.145% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.777, support = 4.8, residual support = 139.0:
    * O T QD1   ILE  103 - HB    ILE  103   2.13 +/- 0.14  48.856% * 78.5650% (0.92  10.0 10.00   4.70 139.04) =  78.387%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.11 +/- 0.02  49.867% * 21.2220% (0.25  10.0 10.00   5.17 139.04) =  21.612%  kept
          QG2   ILE  119 - HB    ILE  103  16.03 +/- 2.80   0.145% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  16.21 +/- 2.52   0.155% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  103  10.47 +/- 2.97   0.628% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.21 +/- 3.65   0.133% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.82 +/- 2.65   0.215% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 139.0:
    * O T HA    ILE  103 - QG2   ILE  103   2.53 +/- 0.14  89.793% * 98.6567% (1.00  10.0 10.00   5.55 139.04) =  99.987%  kept
        T HA    THR   39 - QG2   ILE  103  14.30 +/- 2.76   0.609% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.005%
          HB    THR   77 - QG2   ILE  103  14.21 +/- 3.31   2.157% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - QG2   ILE  103   9.75 +/- 1.51   2.210% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   ILE  103  12.51 +/- 2.22   1.347% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   ILE  103  15.86 +/- 3.56   0.836% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG2   ILE  103  11.65 +/- 2.14   1.519% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  19.30 +/- 3.37   0.395% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  15.65 +/- 2.07   0.463% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  26.82 +/- 4.82   0.149% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  20.39 +/- 3.98   0.346% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  24.96 +/- 4.58   0.175% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.935, support = 5.15, residual support = 137.7:
    * O T HB    ILE  103 - QG2   ILE  103   2.11 +/- 0.02  50.044% * 79.0075% (1.00  10.0 10.00   5.17 139.04) =  91.054%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.85 +/- 0.25  22.136% * 15.6355% (0.20  10.0 10.00   5.45 139.04) =   7.970%  kept
          HB3   ASP- 105 - QG2   ILE  103   4.77 +/- 0.61   6.457% *  4.0592% (0.99   1.0  1.00   1.04   3.49) =   0.604%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.59 +/- 1.04  19.741% *  0.8143% (0.80   1.0  1.00   0.26   0.02) =   0.370%  kept
          QB    LYS+  81 - QG2   ILE  103  14.38 +/- 2.57   0.335% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG2   ILE  103  13.49 +/- 1.95   0.232% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  15.21 +/- 2.58   0.205% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  16.87 +/- 3.56   0.163% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  19.10 +/- 2.87   0.093% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.62 +/- 2.14   0.186% *  0.0297% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  15.68 +/- 3.47   0.160% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.34 +/- 2.23   0.106% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  16.07 +/- 2.80   0.143% *  0.0197% (0.25   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 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 = 4.89, residual support = 138.9:
    *   T HA    ILE  103 - QD1   ILE  103   3.46 +/- 0.38  70.589% * 97.6086% (0.92 10.00   4.89 139.04) =  99.896%  kept
          HA    ASP-  86 - QD1   ILE  103  10.40 +/- 2.02   3.942% *  1.0895% (0.26  1.00   0.80   0.02) =   0.062%
        T HA    THR   39 - QD1   ILE  103  14.43 +/- 2.75   1.242% *  0.7088% (0.67 10.00   0.02   0.02) =   0.013%
          HB    THR   77 - QD1   ILE  103  14.13 +/- 4.22   9.015% *  0.0957% (0.90  1.00   0.02   0.02) =   0.013%
          HA    ASP-  44 - QD1   ILE  103  10.73 +/- 2.06   4.329% *  0.0923% (0.87  1.00   0.02   0.02) =   0.006%
          HA    GLU-  79 - QD1   ILE  103  15.14 +/- 4.32   4.773% *  0.0782% (0.74  1.00   0.02   0.02) =   0.005%
          HA    SER   85 - QD1   ILE  103  11.73 +/- 2.06   2.657% *  0.0957% (0.90  1.00   0.02   0.02) =   0.004%
          HA1   GLY   51 - QD1   ILE  103  20.29 +/- 3.73   0.936% *  0.0592% (0.56  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QD1   ILE  103  26.75 +/- 5.52   0.312% *  0.0901% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  17.31 +/- 2.21   0.770% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  20.55 +/- 4.80   1.067% *  0.0217% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  25.03 +/- 5.20   0.367% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.803, support = 4.69, residual support = 139.0:
    * O T HB    ILE  103 - QD1   ILE  103   2.13 +/- 0.14  46.693% * 82.9317% (0.92  10.0 10.00   4.70 139.04) =  83.761%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.14 +/- 0.02  45.710% * 16.4121% (0.18  10.0 10.00   4.62 139.04) =  16.228%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.58 +/- 1.16   4.776% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.007%
          HB3   ASP- 105 - QD1   ILE  103   7.92 +/- 0.74   1.052% *  0.0822% (0.91   1.0  1.00   0.02   3.49) =   0.002%
          QB    LYS+  81 - QD1   ILE  103  13.65 +/- 2.81   0.652% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QD1   ILE  103  13.42 +/- 2.21   0.237% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  14.85 +/- 2.54   0.181% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  18.22 +/- 3.46   0.143% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.52 +/- 3.27   0.081% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  16.60 +/- 2.43   0.142% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  15.87 +/- 3.04   0.156% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  18.35 +/- 3.13   0.094% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  18.69 +/- 2.34   0.084% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 217.2:
    * O T HB2   LEU  104 - HA    LEU  104   2.94 +/- 0.13  95.648% * 99.7433% (0.87  10.0 10.00   5.98 217.23) =  99.996%  kept
          QG2   VAL  108 - HA    LEU  104  10.59 +/- 0.65   2.125% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HA    LEU  104  14.35 +/- 2.73   1.125% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    LEU  104  20.11 +/- 1.95   0.318% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  16.10 +/- 2.78   0.784% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.3, residual support = 217.2:
    * O T HB3   LEU  104 - HA    LEU  104   2.35 +/- 0.11  96.928% * 99.4463% (0.76  10.0 10.00   5.31 217.23) =  99.996%  kept
          QG1   VAL   70 - HA    LEU  104  12.89 +/- 3.18   0.897% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU  104  14.49 +/- 4.35   0.863% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  104  16.53 +/- 3.12   0.464% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    LEU  104  15.73 +/- 2.81   0.420% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  104  16.55 +/- 2.98   0.427% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.74, residual support = 217.2:
    * O T HG    LEU  104 - HA    LEU  104   3.17 +/- 0.52  81.884% * 99.5259% (1.00  10.0 10.00   5.74 217.23) =  99.987%  kept
          HB3   LYS+ 121 - HA    LEU  104  12.24 +/- 6.78   4.948% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HA    LEU  104  11.99 +/- 7.07   7.505% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  66 - HA    LEU  104  18.06 +/- 4.83   2.839% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HA    LEU  104  19.53 +/- 3.46   0.732% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LEU  104  20.70 +/- 3.00   0.358% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  20.06 +/- 3.79   0.670% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  20.94 +/- 3.63   0.560% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  18.93 +/- 3.42   0.503% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 5.3, residual support = 217.1:
    *   T QD1   LEU  104 - HA    LEU  104   3.69 +/- 0.49  84.059% * 98.8828% (0.96 10.00   5.31 217.23) =  99.954%  kept
        T QD1   LEU   73 - HA    LEU  104  14.33 +/- 3.78   4.890% *  0.4212% (0.41 10.00   0.02   0.02) =   0.025%
        T QD1   LEU   63 - HA    LEU  104  13.55 +/- 2.56   2.910% *  0.4212% (0.41 10.00   0.02   0.02) =   0.015%
          QG1   VAL   83 - HA    LEU  104  14.72 +/- 2.94   2.457% *  0.0889% (0.87  1.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HA    LEU  104  14.05 +/- 1.80   1.858% *  0.0783% (0.76  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    LEU  104  17.87 +/- 3.67   1.261% *  0.0820% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU  104  13.55 +/- 1.71   2.565% *  0.0255% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 5.78, residual support = 211.7:
    *   T QD2   LEU  104 - HA    LEU  104   2.91 +/- 0.50  81.345% * 78.4605% (1.00 10.00   5.89 217.23) =  97.342%  kept
        T QD1   LEU   98 - HA    LEU  104   6.62 +/- 0.52   8.331% * 20.7837% (0.31 10.00   1.72   9.76) =   2.641%  kept
        T QG2   VAL   18 - HA    LEU  104  16.92 +/- 3.04   1.101% *  0.4442% (0.56 10.00   0.02   0.02) =   0.007%
        T QG1   VAL   41 - HA    LEU  104  11.05 +/- 3.05   2.614% *  0.1553% (0.20 10.00   0.02   0.02) =   0.006%
          QG1   VAL   43 - HA    LEU  104  10.07 +/- 2.15   5.242% *  0.0268% (0.34  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HA    LEU  104  17.09 +/- 2.72   0.623% *  0.0757% (0.96  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    LEU  104  16.13 +/- 2.71   0.744% *  0.0539% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 2.88 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 217.2:
    * O T HA    LEU  104 - HB2   LEU  104   2.94 +/- 0.13  97.667% * 99.7454% (0.87  10.0 10.00   5.98 217.23) =  99.999%  kept
          HA    TRP   87 - HB2   LEU  104  14.94 +/- 2.36   1.073% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  22.43 +/- 5.16   0.497% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  18.20 +/- 2.30   0.518% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.78 +/- 5.96   0.245% *  0.0647% (0.56   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 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.39, residual support = 217.2:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  97.800% * 99.4463% (0.66  10.0 10.00   5.39 217.23) =  99.997%  kept
          QG1   VAL   70 - HB2   LEU  104  11.02 +/- 3.70   0.873% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU  104  13.09 +/- 4.83   0.434% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU  104  14.28 +/- 3.36   0.268% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  14.97 +/- 3.20   0.234% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  14.29 +/- 3.40   0.390% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.96, residual support = 217.2:
    * O T HG    LEU  104 - HB2   LEU  104   2.73 +/- 0.26  69.317% * 99.5259% (0.87  10.0 10.00   5.96 217.23) =  99.971%  kept
          QD    LYS+  66 - HB2   LEU  104  15.96 +/- 5.00  14.087% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.014%
          HB3   LYS+ 121 - HB2   LEU  104  11.11 +/- 7.29   6.720% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.010%
          HD2   LYS+ 121 - HB2   LEU  104  10.76 +/- 7.48   7.569% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HB2   LEU  104  18.98 +/- 2.88   0.346% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  18.75 +/- 3.38   0.296% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.65 +/- 3.84   0.645% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  18.75 +/- 4.37   0.404% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.67 +/- 3.60   0.616% *  0.0197% (0.17   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 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.39, residual support = 217.2:
    * O T QD1   LEU  104 - HB2   LEU  104   2.42 +/- 0.31  91.634% * 98.8828% (0.84  10.0 10.00   5.39 217.23) =  99.973%  kept
        T QD1   LEU   73 - HB2   LEU  104  12.97 +/- 4.04   3.719% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.017%
        T QD1   LEU   63 - HB2   LEU  104  11.75 +/- 2.81   1.532% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   83 - HB2   LEU  104  14.40 +/- 2.75   0.920% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   LEU  104  12.76 +/- 2.14   0.865% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  104  17.31 +/- 3.50   0.517% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  13.07 +/- 1.53   0.812% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 6.15, residual support = 216.2:
    * O T QD2   LEU  104 - HB2   LEU  104   2.73 +/- 0.46  77.665% * 94.1008% (0.87  10.0 10.00   6.17 217.23) =  99.485%  kept
          QD1   LEU   98 - HB2   LEU  104   6.52 +/- 0.66   7.278% *  4.9926% (0.27   1.0  1.00   3.44   9.76) =   0.495%  kept
        T QG1   VAL   41 - HB2   LEU  104  10.11 +/- 3.35   3.323% *  0.1862% (0.17   1.0 10.00   0.02   0.02) =   0.008%
        T QG2   VAL   18 - HB2   LEU  104  15.27 +/- 2.97   0.724% *  0.5328% (0.49   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HB2   LEU  104   9.22 +/- 2.56   7.936% *  0.0321% (0.30   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HB2   LEU  104  14.87 +/- 2.72   2.399% *  0.0646% (0.60   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HB2   LEU  104  15.61 +/- 3.06   0.675% *  0.0908% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 217.2:
    * O T HA    LEU  104 - HB3   LEU  104   2.35 +/- 0.11  98.939% * 99.7454% (0.76  10.0 10.00   5.31 217.23) =  99.999%  kept
          HA    TRP   87 - HB3   LEU  104  15.83 +/- 2.37   0.442% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  23.00 +/- 5.21   0.255% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  19.04 +/- 2.53   0.237% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  28.26 +/- 6.13   0.128% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.39, residual support = 217.2:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.004% * 99.7433% (0.66  10.0 10.00   5.39 217.23) =  99.999%  kept
          QG2   VAL  108 - HB3   LEU  104  11.37 +/- 0.59   0.374% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  13.69 +/- 3.27   0.317% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  15.09 +/- 3.09   0.230% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  19.90 +/- 1.73   0.074% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.24, residual support = 217.2:
    * O T HG    LEU  104 - HB3   LEU  104   2.72 +/- 0.26  77.893% * 99.5259% (0.76  10.0 10.00   5.24 217.23) =  99.983%  kept
          QD    LYS+  66 - HB3   LEU  104  16.83 +/- 5.23   8.329% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.007%
          HB3   LYS+ 121 - HB3   LEU  104  11.52 +/- 7.45   4.400% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HB3   LEU  104  11.12 +/- 7.74   6.909% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HB3   LEU  104  19.69 +/- 3.44   0.289% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.18 +/- 2.95   0.281% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.81 +/- 4.07   0.934% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  19.36 +/- 4.34   0.359% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.47 +/- 3.54   0.604% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 5.0, residual support = 217.2:
    * O T QD1   LEU  104 - HB3   LEU  104   2.46 +/- 0.33  93.982% * 98.8828% (0.74  10.0 10.00   5.00 217.23) =  99.981%  kept
        T QD1   LEU   73 - HB3   LEU  104  13.90 +/- 3.91   2.689% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.012%
        T QD1   LEU   63 - HB3   LEU  104  12.73 +/- 2.65   1.104% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HB3   LEU  104  13.59 +/- 2.17   0.773% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU  104  15.29 +/- 2.83   0.558% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  104  18.23 +/- 3.67   0.317% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  14.11 +/- 1.70   0.577% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 5.43, residual support = 216.9:
    * O T QD2   LEU  104 - HB3   LEU  104   2.72 +/- 0.47  77.631% * 97.0419% (0.76  10.0 10.00   5.43 217.23) =  99.848%  kept
          QD1   LEU   98 - HB3   LEU  104   7.25 +/- 0.52   4.981% *  2.0232% (0.24   1.0  1.00   1.35   9.76) =   0.134%  kept
        T QG2   VAL   18 - HB3   LEU  104  16.09 +/- 3.00   0.831% *  0.5494% (0.43   1.0 10.00   0.02   0.02) =   0.006%
        T QG1   VAL   41 - HB3   LEU  104  10.67 +/- 3.35   2.223% *  0.1920% (0.15   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   43 - HB3   LEU  104  10.21 +/- 2.54  12.832% *  0.0331% (0.26   1.0  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - HB3   LEU  104  15.97 +/- 2.89   0.952% *  0.0667% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB3   LEU  104  16.33 +/- 2.96   0.551% *  0.0937% (0.74   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 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.74, residual support = 217.2:
    * O T HA    LEU  104 - HG    LEU  104   3.17 +/- 0.52  96.936% * 99.7454% (1.00  10.0 10.00   5.74 217.23) =  99.998%  kept
          HA    TRP   87 - HG    LEU  104  15.03 +/- 2.16   1.396% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HG    LEU  104  18.07 +/- 2.28   0.698% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  21.91 +/- 5.18   0.617% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  27.15 +/- 6.07   0.354% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.96, residual support = 217.2:
    * O T HB2   LEU  104 - HG    LEU  104   2.73 +/- 0.26  96.347% * 99.7433% (0.87  10.0 10.00   5.96 217.23) =  99.997%  kept
          QG2   VAL  108 - HG    LEU  104  11.73 +/- 0.86   1.311% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HG    LEU  104  14.38 +/- 2.98   1.022% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HG    LEU  104  14.92 +/- 3.28   1.059% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  20.62 +/- 2.27   0.261% *  0.0605% (0.53   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 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.24, residual support = 217.2:
    * O T HB3   LEU  104 - HG    LEU  104   2.72 +/- 0.26  92.132% * 99.4463% (0.76  10.0 10.00   5.24 217.23) =  99.990%  kept
          QG1   VAL   70 - HG    LEU  104  11.26 +/- 3.75   3.267% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HG    LEU  104  14.33 +/- 4.75   1.214% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HG    LEU  104  13.93 +/- 3.47   1.114% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  104  15.02 +/- 3.35   1.070% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  104  15.25 +/- 3.35   1.203% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 217.2:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  95.832% * 98.8828% (0.97  10.0 10.00   5.24 217.23) =  99.987%  kept
        T QD1   LEU   73 - HG    LEU  104  12.97 +/- 3.63   1.686% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   63 - HG    LEU  104  12.62 +/- 2.88   0.949% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   83 - HG    LEU  104  14.28 +/- 2.73   0.442% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  14.31 +/- 1.88   0.354% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  17.22 +/- 3.68   0.275% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  13.65 +/- 1.81   0.462% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.81, residual support = 216.7:
    * O T QD2   LEU  104 - HG    LEU  104   2.11 +/- 0.01  87.636% * 95.0998% (1.00  10.0 10.00   5.82 217.23) =  99.724%  kept
          QD1   LEU   98 - HG    LEU  104   5.87 +/- 0.94   5.572% *  3.9840% (0.31   1.0  1.00   2.71   9.76) =   0.266%  kept
        T QG1   VAL   41 - HG    LEU  104   9.30 +/- 3.53   2.206% *  0.1882% (0.20   1.0 10.00   0.02   0.02) =   0.005%
        T QG2   VAL   18 - HG    LEU  104  15.37 +/- 3.19   0.555% *  0.5384% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HG    LEU  104   9.28 +/- 2.42   3.297% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU  104  15.73 +/- 2.69   0.431% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.30 +/- 2.96   0.303% *  0.0918% (0.97   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 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 217.2:
    *   T HA    LEU  104 - QD1   LEU  104   3.69 +/- 0.49  73.397% * 99.2875% (0.96 10.00   5.31 217.23) =  99.975%  kept
        T HA    LEU  104 - QD1   LEU   73  14.33 +/- 3.78   4.281% *  0.1829% (0.18 10.00   0.02   0.02) =   0.011%
        T HA    LEU  104 - QD1   LEU   63  13.55 +/- 2.56   2.542% *  0.1829% (0.18 10.00   0.02   0.02) =   0.006%
          HA    GLU-  14 - QD1   LEU  104  17.64 +/- 4.73   2.485% *  0.0760% (0.74  1.00   0.02   0.02) =   0.003%
          HA    TRP   87 - QD1   LEU  104  13.33 +/- 1.92   2.088% *  0.0446% (0.43  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU  104  15.84 +/- 1.81   1.143% *  0.0684% (0.66  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   LEU  104  22.03 +/- 5.40   1.185% *  0.0644% (0.62  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU   73  12.56 +/- 2.36   2.757% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU   73  14.52 +/- 3.30   2.140% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  13.73 +/- 3.04   2.605% *  0.0082% (0.08  1.00   0.02   0.10) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.36 +/- 2.40   1.389% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  16.69 +/- 3.02   1.136% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  17.55 +/- 2.47   0.908% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  15.31 +/- 2.32   1.379% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  19.91 +/- 2.83   0.565% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.797, support = 5.4, residual support = 218.3:
    * O T HB2   LEU  104 - QD1   LEU  104   2.42 +/- 0.31  35.464% * 94.8278% (0.84  10.0 10.00   5.39 217.23) =  94.971%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  50.105% *  3.5262% (0.03  10.0 10.00   5.59 239.63) =   4.990%  kept
        T QD1   ILE  119 - QD1   LEU   63   6.78 +/- 1.87   4.039% *  0.1140% (0.10   1.0 10.00   0.02   0.02) =   0.013%
        T HB2   LEU  104 - QD1   LEU   73  12.97 +/- 4.04   1.533% *  0.1747% (0.15   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   ILE  119 - QD1   LEU  104  11.80 +/- 2.71   0.426% *  0.6189% (0.55   1.0 10.00   0.02   0.02) =   0.007%
        T HG    LEU   63 - QD1   LEU  104  11.95 +/- 2.94   0.489% *  0.1915% (0.17   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE  119 - QD1   LEU   73  11.90 +/- 3.05   0.769% *  0.1140% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU  104 - QD1   LEU   63  11.75 +/- 2.81   0.496% *  0.1747% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QD1   LEU  104  10.32 +/- 0.72   0.435% *  0.1055% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   63  11.27 +/- 3.51   4.327% *  0.0106% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  10.50 +/- 2.01   0.673% *  0.0353% (0.03   1.0 10.00   0.02   0.14) =   0.001%
          QG2   VAL  108 - QD1   LEU   63  11.23 +/- 2.75   0.564% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  12.96 +/- 2.56   0.389% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.27 +/- 1.90   0.101% *  0.0575% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  17.00 +/- 3.62   0.190% *  0.0106% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.679, support = 5.06, residual support = 218.6:
    * O T HB3   LEU  104 - QD1   LEU  104   2.46 +/- 0.33  36.252% * 85.8528% (0.74  10.0 10.00   5.00 217.23) =  91.225%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.53 +/- 0.41  34.115% *  8.5061% (0.07  10.0 10.00   5.85 239.63) =   8.506%  kept
          QG1   VAL   18 - QD1   LEU   73   6.66 +/- 2.36   3.051% *  1.4983% (0.16   1.0  1.00   1.61   0.97) =   0.134%  kept
        T HB3   LEU   63 - QD1   LEU   73  10.54 +/- 2.53   1.136% *  2.7922% (0.07   1.0 10.00   0.66   0.14) =   0.093%
        T HB3   LEU   63 - QD1   LEU  104  12.19 +/- 2.98   0.716% *  0.4618% (0.40   1.0 10.00   0.02   0.02) =   0.010%
          QG1   VAL   70 - QD1   LEU  104   8.74 +/- 3.55   3.015% *  0.1084% (0.93   1.0  1.00   0.02   0.02) =   0.010%
          QG1   VAL   70 - QD1   LEU   63   5.55 +/- 1.30   7.653% *  0.0200% (0.17   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU  104 - QD1   LEU   73  13.90 +/- 3.91   0.668% *  0.1581% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - QD1   LEU  104  11.00 +/- 3.38   0.930% *  0.1113% (0.96   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - QD1   LEU   73   7.60 +/- 1.72   4.631% *  0.0205% (0.18   1.0  1.00   0.02   1.48) =   0.003%
          QD1   LEU  123 - QD1   LEU  104  11.58 +/- 4.20   0.713% *  0.1113% (0.96   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QD1   LEU   63  12.73 +/- 2.65   0.436% *  0.1581% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU  104  12.21 +/- 3.11   0.488% *  0.1007% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   63   8.61 +/- 2.06   2.374% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   8.01 +/- 2.04   1.573% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   8.76 +/- 1.30   1.015% *  0.0200% (0.17   1.0  1.00   0.02   0.78) =   0.001%
          QD1   LEU   71 - QD1   LEU   63  10.03 +/- 1.43   0.620% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.34 +/- 3.78   0.616% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 217.2:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  53.057% * 98.9901% (0.97  10.0 10.00   5.24 217.23) =  99.970%  kept
          QD    LYS+  66 - QD1   LEU  104  13.18 +/- 4.40  10.442% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.014%
          HB3   LYS+ 121 - QD1   LEU  104  10.56 +/- 6.05   2.439% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.005%
        T HG    LEU  104 - QD1   LEU   73  12.97 +/- 3.63   0.940% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU  104 - QD1   LEU   63  12.62 +/- 2.88   0.531% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QD1   LEU  104  10.14 +/- 6.20   1.989% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU   63   6.49 +/- 1.65   4.790% *  0.0125% (0.12   1.0  1.00   0.02   7.43) =   0.001%
          HD2   LYS+ 121 - QD1   LEU   73  15.27 +/- 4.72   5.495% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD1   LEU   73   7.92 +/- 1.27   1.658% *  0.0176% (0.17   1.0  1.00   0.02  42.18) =   0.001%
          HD3   LYS+  74 - QD1   LEU   63   9.96 +/- 2.51   1.529% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   73   5.26 +/- 1.81   5.575% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  15.81 +/- 2.71   0.182% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.83 +/- 4.71   0.949% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  13.76 +/- 3.87   0.828% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63  11.62 +/- 3.39   0.745% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  17.40 +/- 3.09   0.131% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  14.60 +/- 3.97   0.305% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63  10.93 +/- 3.37   1.676% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   8.24 +/- 1.95   1.327% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  14.22 +/- 3.29   0.457% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.54 +/- 3.44   0.286% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  11.61 +/- 3.49   1.891% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   7.93 +/- 1.14   1.397% *  0.0045% (0.04   1.0  1.00   0.02   3.44) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  12.68 +/- 1.50   0.294% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  10.75 +/- 1.96   0.638% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  18.59 +/- 3.78   0.153% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  14.47 +/- 3.40   0.295% *  0.0068% (0.07   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 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 = 0.962, support = 5.49, residual support = 216.2:
    * O T QD2   LEU  104 - QD1   LEU  104   2.03 +/- 0.06  45.855% * 92.9186% (0.97  10.0 10.00   5.50 217.23) =  99.514%  kept
          QD1   LEU   98 - QD1   LEU  104   5.52 +/- 0.84   3.142% *  5.2430% (0.30   1.0  1.00   3.66   9.76) =   0.385%  kept
          QG1   VAL   43 - QD1   LEU   73   6.03 +/- 2.86   8.790% *  0.2665% (0.06   1.0  1.00   0.91   3.58) =   0.055%
        T QG1   VAL   41 - QD1   LEU  104   7.62 +/- 3.31   2.383% *  0.1839% (0.19   1.0 10.00   0.02   0.02) =   0.010%
          QG1   VAL   43 - QD1   LEU  104   7.95 +/- 2.44   9.952% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.007%
        T QG2   VAL   18 - QD1   LEU   73   7.08 +/- 2.15   3.000% *  0.0969% (0.10   1.0 10.00   0.02   0.97) =   0.007%
        T QG2   VAL   18 - QD1   LEU  104  12.42 +/- 2.84   0.405% *  0.5261% (0.55   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU  104 - QD1   LEU   73  10.63 +/- 3.08   0.714% *  0.1711% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   18 - QD1   LEU   63   7.69 +/- 1.78   1.213% *  0.0969% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   46 - QD1   LEU   63   7.20 +/- 2.52   9.053% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   41 - QD1   LEU   73   6.63 +/- 2.13   2.724% *  0.0339% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T QD2   LEU  104 - QD1   LEU   63  10.72 +/- 2.47   0.513% *  0.1711% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - QD1   LEU   73   5.48 +/- 1.71   4.889% *  0.0165% (0.17   1.0  1.00   0.02   5.82) =   0.002%
        T QG1   VAL   41 - QD1   LEU   63   9.82 +/- 2.20   1.133% *  0.0339% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD1   LEU  104  12.40 +/- 2.86   0.276% *  0.0897% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QD1   LEU  104  13.11 +/- 2.51   0.341% *  0.0638% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD1   LEU   63  10.10 +/- 2.44   1.010% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   9.01 +/- 1.77   0.889% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.18 +/- 2.09   1.394% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   8.83 +/- 3.01   1.506% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63  10.32 +/- 2.84   0.818% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.89, residual support = 217.2:
    *   T HA    LEU  104 - QD2   LEU  104   2.91 +/- 0.50  74.627% * 99.4871% (1.00 10.00   5.89 217.23) =  99.991%  kept
        T HA    LEU  104 - QG2   VAL   18  16.92 +/- 3.04   1.010% *  0.1529% (0.15 10.00   0.02   0.02) =   0.002%
        T HA    LEU  104 - QG1   VAL   41  11.05 +/- 3.05   2.402% *  0.0534% (0.05 10.00   0.02   0.02) =   0.002%
          HA    TRP   87 - QD2   LEU  104  12.32 +/- 1.79   1.578% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD2   LEU  104  18.20 +/- 4.45   0.913% *  0.0762% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QG2   VAL   18   9.08 +/- 1.67   5.639% *  0.0117% (0.12  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD2   LEU  104  14.75 +/- 1.78   0.839% *  0.0685% (0.69  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD2   LEU  104  22.48 +/- 5.20   0.564% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  13.44 +/- 2.31   1.786% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  13.01 +/- 3.39   4.274% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  13.13 +/- 2.95   2.434% *  0.0024% (0.02  1.00   0.02   0.37) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  18.84 +/- 4.18   0.529% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  14.65 +/- 3.01   1.421% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  17.12 +/- 3.73   1.344% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  17.76 +/- 3.65   0.641% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.17, residual support = 217.2:
    * O T HB2   LEU  104 - QD2   LEU  104   2.73 +/- 0.46  78.850% * 99.4846% (0.87  10.0 10.00   6.17 217.23) =  99.991%  kept
          QG2   VAL  108 - QD2   LEU  104   9.91 +/- 0.62   1.945% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU  104 - QG1   VAL   41  10.11 +/- 3.35   3.408% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU  104 - QG2   VAL   18  15.27 +/- 2.97   0.738% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QD2   LEU  104  12.39 +/- 2.60   1.157% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - QD2   LEU  104  12.64 +/- 2.95   1.434% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  17.59 +/- 1.62   0.421% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18  11.67 +/- 2.38   1.812% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   8.78 +/- 1.98   4.369% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  15.25 +/- 2.32   0.647% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  17.18 +/- 2.69   0.708% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.81 +/- 1.63   1.045% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  13.41 +/- 2.50   1.244% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.33 +/- 2.58   1.872% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  18.85 +/- 2.62   0.350% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.604, support = 5.06, residual support = 181.1:
    * O T HB3   LEU  104 - QD2   LEU  104   2.72 +/- 0.47  26.617% * 83.2949% (0.76  10.0 10.00   5.43 217.23) =  74.365%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  50.808% * 15.0200% (0.14  10.0 10.00   4.00  76.31) =  25.597%  kept
        T QG1   VAL   18 - QD2   LEU  104  12.62 +/- 2.96   0.430% *  0.9775% (0.90   1.0 10.00   0.02   0.02) =   0.014%
          QD1   LEU   71 - QG1   VAL   41   6.15 +/- 1.96   4.992% *  0.0462% (0.05   1.0  1.00   0.16   2.75) =   0.008%
          QG1   VAL   70 - QD2   LEU  104   9.39 +/- 3.10   1.081% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - QG2   VAL   18   8.63 +/- 4.03   4.244% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD2   LEU  104  11.41 +/- 2.99   0.494% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - QG1   VAL   41   9.60 +/- 3.19   0.928% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD2   LEU  104  12.46 +/- 3.97   0.408% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG2   VAL   18   7.78 +/- 2.53   1.916% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG1   VAL   41  10.67 +/- 3.35   0.596% *  0.0447% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG2   VAL   18  16.09 +/- 3.00   0.184% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  104  12.90 +/- 3.21   0.498% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG1   VAL   41  13.87 +/- 4.25   2.477% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.73 +/- 1.19   1.960% *  0.0056% (0.05   1.0  1.00   0.02   2.61) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   8.59 +/- 1.97   1.379% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  12.58 +/- 3.27   0.380% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.49 +/- 2.35   0.606% *  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 = 5.82, residual support = 217.2:
    * O T HG    LEU  104 - QD2   LEU  104   2.11 +/- 0.01  56.355% * 98.9470% (1.00  10.0 10.00   5.82 217.23) =  99.966%  kept
          QD    LYS+  66 - QD2   LEU  104  14.04 +/- 4.44   8.012% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.010%
          HG2   LYS+  65 - QG2   VAL   18   7.53 +/- 4.53   9.303% *  0.0563% (0.04   1.0  1.00   0.30   0.02) =   0.009%
          QD    LYS+  66 - QG2   VAL   18   9.46 +/- 2.97   1.362% *  0.2291% (0.11   1.0  1.00   0.44   0.02) =   0.006%
          HB3   LYS+ 121 - QD2   LEU  104  11.24 +/- 6.00   1.523% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+  74 - QG2   VAL   18   7.32 +/- 4.76   6.407% *  0.0147% (0.15   1.0  1.00   0.02   1.28) =   0.002%
        T HG    LEU  104 - QG1   VAL   41   9.30 +/- 3.53   1.437% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  104 - QG2   VAL   18  15.37 +/- 3.19   0.363% *  0.1520% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  104  11.01 +/- 6.01   1.165% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD2   LEU  104  16.03 +/- 2.57   0.243% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   7.62 +/- 2.35   6.537% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  17.51 +/- 2.73   0.129% *  0.0970% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.73 +/- 3.05   0.234% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.47 +/- 2.17   0.958% *  0.0086% (0.01   1.0  1.00   0.16   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.27 +/- 2.90   0.375% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  16.32 +/- 3.09   0.227% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.71 +/- 1.99   2.484% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  11.37 +/- 1.83   0.534% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  16.89 +/- 3.39   0.176% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  15.18 +/- 5.06   0.418% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  19.54 +/- 3.08   0.119% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.77 +/- 1.75   0.309% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.08 +/- 2.35   0.356% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  14.84 +/- 4.83   0.495% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  16.34 +/- 2.54   0.150% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  19.83 +/- 2.66   0.083% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  13.94 +/- 1.91   0.247% *  0.0013% (0.01   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 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.5, residual support = 217.2:
    * O T QD1   LEU  104 - QD2   LEU  104   2.03 +/- 0.06  72.050% * 98.4528% (0.97  10.0 10.00   5.50 217.23) =  99.972%  kept
        T QD1   LEU   73 - QD2   LEU  104  10.63 +/- 3.08   1.495% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU   63 - QD2   LEU  104  10.72 +/- 2.47   0.770% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   73 - QG2   VAL   18   7.08 +/- 2.15   4.531% *  0.0644% (0.06   1.0 10.00   0.02   0.97) =   0.004%
        T QD1   LEU  104 - QG1   VAL   41   7.62 +/- 3.31   3.673% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - QG2   VAL   18   7.69 +/- 1.78   1.904% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - QG1   VAL   41   6.63 +/- 2.13   4.971% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU  104 - QG2   VAL   18  12.42 +/- 2.84   0.629% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU  104  11.63 +/- 2.16   0.643% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QG1   VAL   41   9.82 +/- 2.20   1.680% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD2   LEU  104  14.14 +/- 3.08   0.441% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU  104  12.29 +/- 1.63   0.377% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  11.62 +/- 4.80   1.326% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  11.35 +/- 1.55   0.595% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  12.15 +/- 3.93   0.818% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  10.09 +/- 2.77   1.450% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  12.29 +/- 1.60   0.436% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  11.66 +/- 3.91   1.065% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  12.80 +/- 3.15   0.428% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.62 +/- 1.36   0.280% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.67 +/- 1.12   0.440% *  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 = 3.19, residual support = 42.2:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.67 +/- 0.21  93.131% * 99.5527% (0.95  10.0 10.00   3.19  42.19) =  99.996%  kept
          HB2   MET   96 - HA    ASP- 105   8.83 +/- 0.63   2.733% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HA    ASP- 105  14.03 +/- 1.60   0.931% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    ASP- 105  19.47 +/- 3.06   0.452% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    ASP- 105  12.65 +/- 3.80   1.408% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  19.18 +/- 1.62   0.286% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  15.80 +/- 2.65   0.579% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.74 +/- 3.04   0.170% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.31 +/- 3.50   0.309% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.19, residual support = 42.2:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.67 +/- 0.21  98.347% * 99.7814% (0.95  10.0 10.00   3.19  42.19) =  99.999%  kept
          HA    LEU   80 - HB2   ASP- 105  20.44 +/- 3.83   0.737% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - HB2   ASP- 105  23.86 +/- 3.65   0.200% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  23.19 +/- 3.75   0.222% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  21.03 +/- 3.80   0.494% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 0.996, support = 6.27, residual support = 131.5:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.32 +/- 0.18  82.439% * 81.7459% (1.00  10.0 10.00   6.31 134.65) =  97.153%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.73 +/- 0.43  11.178% * 17.6379% (0.87   1.0  1.00   4.97  24.58) =   2.842%  kept
          HB    ILE  103 - HA    LYS+ 106   7.69 +/- 1.02   2.767% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HA    LYS+ 106  13.03 +/- 2.56   0.712% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    LYS+ 106  14.00 +/- 1.98   0.473% *  0.0801% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    LYS+ 106  16.44 +/- 1.89   0.337% *  0.0816% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  18.95 +/- 4.27   0.250% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  18.73 +/- 2.86   0.216% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  19.26 +/- 2.47   0.187% *  0.0773% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  15.36 +/- 3.67   0.723% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  14.12 +/- 1.10   0.393% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  18.13 +/- 1.67   0.197% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  20.95 +/- 2.23   0.128% *  0.0496% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 134.6:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.29 +/- 0.72  90.261% * 98.2431% (1.00  10.0 10.00   5.09 134.65) =  99.980%  kept
        T QG    LYS+  81 - HA    LYS+ 106  16.14 +/- 2.02   1.271% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.014%
        T HG2   LYS+  33 - HA    LYS+ 106  20.64 +/- 2.41   0.594% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LYS+ 111 - HA    LYS+ 106  12.58 +/- 3.11   6.888% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+ 106  17.01 +/- 2.00   0.986% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.8, residual support = 134.6:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.83 +/- 0.30  73.551% * 98.5750% (1.00 10.00   4.80 134.65) =  99.943%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.52 +/- 0.86   2.909% *  0.9836% (1.00 10.00   0.02   0.02) =   0.039%
          HB2   LEU   73 - HA    LYS+ 106  15.42 +/- 3.41   3.071% *  0.0932% (0.95  1.00   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HA    LYS+ 106  14.11 +/- 2.85   3.432% *  0.0716% (0.73  1.00   0.02   0.02) =   0.003%
          QG1   ILE   56 - HA    LYS+ 106  10.86 +/- 2.23   4.840% *  0.0480% (0.49  1.00   0.02   0.02) =   0.003%
          HB3   MET   92 - HA    LYS+ 106  13.42 +/- 1.18   1.888% *  0.0823% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HA    LYS+ 106  11.02 +/- 0.79   3.327% *  0.0370% (0.38  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    LYS+ 106  12.44 +/- 0.92   2.304% *  0.0405% (0.41  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LYS+ 106  11.72 +/- 1.41   3.264% *  0.0246% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 106  16.02 +/- 3.70   1.415% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.964, support = 5.14, residual support = 118.6:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.45 +/- 0.45  48.603% * 86.5463% (1.00 10.00   5.28 134.65) =  86.947%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.60 +/- 0.91  47.459% * 13.3006% (0.73  1.00   4.23  11.86) =  13.048%  kept
          HB3   PHE   60 - HA    LYS+ 106  13.03 +/- 1.88   2.483% *  0.0819% (0.95  1.00   0.02   0.02) =   0.004%
          HB3   TRP   27 - HA    LYS+ 106  17.22 +/- 2.21   0.977% *  0.0594% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    LYS+ 106  21.90 +/- 3.10   0.478% *  0.0117% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.31, residual support = 134.7:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.32 +/- 0.18 100.000% *100.0000% (1.00  10.0 10.00   6.31 134.65) = 100.000%  kept
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.87, 1.87, 37.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+ 106 - QB    LYS+ 106  (1.00)  kept
 
    Peak 1315 (1.56, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 134.6:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.34 +/- 0.12  97.057% * 98.2431% (1.00  10.0 10.00   5.38 134.65) =  99.992%  kept
        T QG    LYS+  81 - QB    LYS+ 106  14.18 +/- 1.89   0.558% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  33 - QB    LYS+ 106  19.42 +/- 2.19   0.212% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QB    LYS+ 106  11.67 +/- 2.95   1.849% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  16.28 +/- 1.84   0.325% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 134.6:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.25 +/- 0.11  90.626% * 97.1433% (1.00  10.0 10.00   5.08 134.65) =  99.960%  kept
        T HD2   LYS+ 111 - QB    LYS+ 106  12.79 +/- 2.74   2.399% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.019%
        T QD    LYS+  99 - QB    LYS+ 106  10.94 +/- 1.07   0.931% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T QG1   ILE   56 - QB    LYS+ 106  10.97 +/- 2.17   1.298% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   LEU  123 - QB    LYS+ 106  15.85 +/- 3.03   0.331% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QB    LYS+ 106  12.36 +/- 1.52   0.713% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QB    LYS+ 106  14.95 +/- 3.06   0.547% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QB    LYS+ 106  10.37 +/- 1.00   1.055% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.00 +/- 1.60   1.419% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  11.81 +/- 0.93   0.680% *  0.0399% (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 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.943, support = 4.89, residual support = 108.9:
    *   T QE    LYS+ 106 - QB    LYS+ 106   3.07 +/- 0.65  71.272% * 57.8731% (1.00 10.00   5.56 134.65) =  79.058%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.07 +/- 0.98  25.997% * 42.0245% (0.73 10.00   2.33  11.86) =  20.940%  kept
          HB3   PHE   60 - QB    LYS+ 106  13.25 +/- 1.81   1.574% *  0.0547% (0.95  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QB    LYS+ 106  16.24 +/- 2.48   0.776% *  0.0398% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+ 106  20.32 +/- 3.15   0.381% *  0.0078% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 134.6:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.29 +/- 0.72  97.948% * 99.1803% (1.00  10.0 10.00   5.09 134.65) =  99.993%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.64 +/- 2.41   0.644% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 106 - QG    LYS+  81  16.14 +/- 2.02   1.408% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 4.31 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 = 0.742, support = 5.36, residual support = 135.5:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.34 +/- 0.12  26.004% * 48.9066% (1.00  10.0 10.00   5.38 134.65) =  51.930%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.28 +/- 0.12  27.842% * 28.0579% (0.57  10.0 10.00   5.63 154.00) =  31.899%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  35.320% * 10.7369% (0.22  10.0 10.00   4.76 104.99) =  15.485%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.22 +/- 0.78   1.647% * 10.0112% (0.87   1.0  1.00   4.72  24.58) =   0.673%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.28 +/- 1.59   2.114% *  0.0392% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HG2   LYS+ 106  16.51 +/- 2.15   0.088% *  0.4880% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  33   5.62 +/- 0.76   2.297% *  0.0122% (0.25   1.0  1.00   0.02   0.48) =   0.001%
        T QB    LYS+  33 - HG2   LYS+ 106  19.93 +/- 2.73   0.053% *  0.4626% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  21.59 +/- 4.25   0.074% *  0.2959% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.42 +/- 2.19   0.052% *  0.2966% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - QG    LYS+  81  14.18 +/- 1.89   0.144% *  0.1076% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QG    LYS+  81  20.38 +/- 4.13   0.135% *  0.1018% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG    LYS+  81   9.46 +/- 3.50   1.257% *  0.0105% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HG2   LYS+  33  10.89 +/- 1.97   0.422% *  0.0180% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  13.84 +/- 2.03   0.155% *  0.0479% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.46 +/- 2.46   0.111% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.32 +/- 3.59   0.141% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.08 +/- 3.65   0.088% *  0.0257% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  20.81 +/- 3.35   0.052% *  0.0409% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  17.72 +/- 3.73   0.245% *  0.0086% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.25 +/- 4.46   0.051% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.43 +/- 4.00   0.201% *  0.0090% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  11.69 +/- 4.05   0.586% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.23 +/- 1.81   0.106% *  0.0136% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.99 +/- 3.18   0.051% *  0.0238% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  21.79 +/- 3.23   0.038% *  0.0297% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  19.06 +/- 2.32   0.055% *  0.0201% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  17.97 +/- 3.97   0.145% *  0.0075% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  19.07 +/- 3.31   0.103% *  0.0093% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  23.25 +/- 3.67   0.035% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.42 +/- 2.44   0.072% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  26.94 +/- 3.52   0.024% *  0.0248% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.84 +/- 2.14   0.018% *  0.0291% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  18.30 +/- 4.40   0.090% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.77 +/- 2.86   0.030% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  22.51 +/- 4.76   0.053% *  0.0046% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  25.93 +/- 3.25   0.025% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.64 +/- 2.38   0.019% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  20.91 +/- 3.41   0.057% *  0.0017% (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 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 = 4.16, residual support = 134.6:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.34 +/- 0.13  84.500% * 96.6493% (1.00  10.0 10.00   4.16 134.65) =  99.971%  kept
        T QD    LYS+  99 - HG2   LYS+  33  14.80 +/- 4.83   1.725% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.012%
        T QD    LYS+  99 - HG2   LYS+ 106  11.76 +/- 1.20   0.775% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+ 106 - HG2   LYS+  33  20.06 +/- 2.35   0.165% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QG    LYS+  81  14.31 +/- 1.70   0.433% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+  33  10.77 +/- 1.87   1.151% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HG2   LYS+ 106  15.39 +/- 2.76   0.579% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  20.16 +/- 3.06   0.191% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.40 +/- 1.92   1.660% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.06 +/- 1.17   0.947% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  16.96 +/- 2.93   0.352% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  14.75 +/- 1.69   0.369% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  13.03 +/- 2.21   0.629% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  24.45 +/- 7.68   0.964% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  12.09 +/- 3.86   1.394% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  14.23 +/- 1.14   0.408% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  16.85 +/- 4.25   0.567% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  18.22 +/- 3.60   0.235% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  15.48 +/- 2.38   0.377% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  19.93 +/- 3.15   0.193% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  13.73 +/- 3.07   0.631% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  15.71 +/- 2.24   0.398% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  19.84 +/- 4.06   0.234% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  25.70 +/- 2.55   0.073% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  18.80 +/- 3.81   0.237% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.81 +/- 4.48   0.055% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  19.03 +/- 3.91   0.364% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.11 +/- 2.81   0.079% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  21.05 +/- 3.57   0.199% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  25.60 +/- 3.47   0.116% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 0.995, support = 4.58, residual support = 132.4:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.69 +/- 0.44  71.395% * 92.0986% (1.00  10.0 10.00   4.62 134.65) =  98.157%  kept
          HB2   PHE   97 - HG2   LYS+ 106   5.64 +/- 1.32  18.115% *  6.7875% (0.73   1.0  1.00   2.03  11.86) =   1.835%  kept
        T QE    LYS+ 106 - QG    LYS+  81  14.91 +/- 2.63   0.748% *  0.2026% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 106 - HG2   LYS+  33  20.39 +/- 2.40   0.214% *  0.5586% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HG2   LYS+  33   9.89 +/- 1.04   2.164% *  0.0384% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HG2   LYS+ 106  15.48 +/- 2.28   0.649% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   8.33 +/- 0.65   3.017% *  0.0076% (0.08   1.0  1.00   0.02   5.21) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  18.66 +/- 3.80   0.421% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  18.16 +/- 2.77   0.340% *  0.0633% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  18.32 +/- 3.18   0.354% *  0.0406% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  17.70 +/- 3.00   0.927% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  15.21 +/- 4.90   0.797% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  17.43 +/- 3.09   0.464% *  0.0192% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  22.27 +/- 4.06   0.241% *  0.0125% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  25.14 +/- 4.65   0.155% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 134.6:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.83 +/- 0.30  96.189% * 99.1942% (0.99 10.00   4.80 134.65) =  99.968%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.52 +/- 0.86   3.811% *  0.8058% (0.81 10.00   0.02   0.02) =   0.032%
    Distance limit 5.01 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 = 5.07, residual support = 133.7:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.25 +/- 0.11  65.457% * 82.7847% (0.99  10.0 10.00   5.08 134.65) =  99.160%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.63 +/- 0.62   3.028% * 14.3216% (0.86   1.0  1.00   3.99  24.58) =   0.794%  kept
          HB    ILE  103 - QD    LYS+ 106   5.84 +/- 1.89   7.786% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.009%
          HG3   PRO   68 - QD    LYS+  99  14.84 +/- 6.48   9.216% *  0.0514% (0.62   1.0  1.00   0.02   0.02) =   0.009%
        T QB    LYS+ 106 - QD    LYS+  99  10.94 +/- 1.07   0.676% *  0.6725% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HB    ILE   56 - QD    LYS+ 106  14.33 +/- 2.34   0.412% *  0.6327% (0.76   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  33 - QD    LYS+  99  13.36 +/- 4.73   3.838% *  0.0636% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QD    LYS+  99   9.15 +/- 1.65   3.050% *  0.0583% (0.70   1.0  1.00   0.02   0.39) =   0.003%
          HB3   LYS+  38 - QD    LYS+  99  11.72 +/- 6.68   1.752% *  0.0408% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   56 - QD    LYS+  99  19.11 +/- 2.71   0.132% *  0.5139% (0.62   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QD    LYS+  99   9.63 +/- 0.86   0.926% *  0.0538% (0.64   1.0  1.00   0.02   0.53) =   0.001%
          HB3   GLN   90 - QD    LYS+ 106  11.66 +/- 1.89   0.603% *  0.0811% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QD    LYS+  99  21.67 +/- 3.64   0.532% *  0.0659% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD    LYS+ 106  14.47 +/- 1.73   0.277% *  0.0826% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  18.97 +/- 2.88   0.208% *  0.0691% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  18.57 +/- 2.36   0.136% *  0.0783% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  19.71 +/- 3.81   0.150% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  13.14 +/- 1.70   0.408% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  14.51 +/- 3.03   0.326% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  20.27 +/- 2.84   0.128% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  20.15 +/- 2.75   0.111% *  0.0502% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  17.86 +/- 2.07   0.153% *  0.0340% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  23.75 +/- 3.92   0.086% *  0.0562% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  16.72 +/- 3.07   0.259% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  19.09 +/- 4.55   0.247% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.26 +/- 2.06   0.101% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.16, residual support = 134.6:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.34 +/- 0.13  94.306% * 96.1045% (0.99  10.0 10.00   4.16 134.65) =  99.971%  kept
        T HG2   LYS+  33 - QD    LYS+  99  14.80 +/- 4.83   1.928% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.013%
        T HG2   LYS+ 106 - QD    LYS+  99  11.76 +/- 1.20   0.865% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.007%
        T QG    LYS+  81 - QD    LYS+ 106  14.31 +/- 1.70   0.484% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T QG    LYS+  81 - QD    LYS+  99  20.16 +/- 3.06   0.213% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QD    LYS+ 106  20.06 +/- 2.35   0.185% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QD    LYS+ 106  12.51 +/- 3.06   1.192% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.13 +/- 2.96   0.375% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  17.27 +/- 2.18   0.287% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  21.49 +/- 3.34   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 0.04 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.99, support = 3.42, residual support = 134.2:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.08 +/- 0.03  88.355% * 93.0371% (0.99  10.0 10.00   3.43 134.65) =  99.644%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.25 +/- 0.98   4.781% *  5.8542% (0.72   1.0  1.00   1.73  11.86) =   0.339%  kept
        T QE    LYS+ 106 - QD    LYS+  99  10.73 +/- 1.87   1.607% *  0.7558% (0.81   1.0 10.00   0.02   0.02) =   0.015%
          HB2   PHE   97 - QD    LYS+  99   7.86 +/- 0.87   1.885% *  0.0549% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    LYS+ 106  14.55 +/- 1.80   0.304% *  0.0880% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  13.67 +/- 5.81   2.171% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.78 +/- 3.80   0.285% *  0.0715% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  15.86 +/- 2.70   0.271% *  0.0519% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.95 +/- 2.49   0.207% *  0.0639% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  20.66 +/- 3.60   0.135% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.28, residual support = 134.7:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.45 +/- 0.45 100.000% *100.0000% (1.00 10.00   5.28 134.65) = 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 = 0.974, support = 5.23, residual support = 113.7:
    *   T QB    LYS+ 106 - QE    LYS+ 106   3.07 +/- 0.65  58.021% * 53.2668% (1.00 10.00   5.56 134.65) =  80.999%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.30 +/- 1.23  15.612% * 46.2051% (0.87 10.00   3.82  24.58) =  18.906%  kept
          HB    ILE  103 - QE    LYS+ 106   5.52 +/- 1.57  20.191% *  0.1692% (0.80  1.00   0.08   0.02) =   0.090%
          HB3   GLN   90 - QE    LYS+ 106  12.67 +/- 2.43   1.297% *  0.0522% (0.98  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - QE    LYS+ 106  15.06 +/- 2.61   0.679% *  0.0531% (1.00  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+ 106  15.16 +/- 2.26   0.667% *  0.0407% (0.76  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QE    LYS+ 106  18.84 +/- 2.40   0.414% *  0.0504% (0.95  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+ 106  20.13 +/- 4.39   0.355% *  0.0407% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  19.95 +/- 2.93   0.307% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  14.25 +/- 1.67   0.769% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  17.27 +/- 3.52   1.066% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  20.26 +/- 2.79   0.266% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  18.26 +/- 2.06   0.355% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 134.6:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.69 +/- 0.44  96.429% * 98.2431% (1.00  10.0 10.00   4.62 134.65) =  99.987%  kept
        T QG    LYS+  81 - QE    LYS+ 106  14.91 +/- 2.63   1.002% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   LYS+  33 - QE    LYS+ 106  20.39 +/- 2.40   0.291% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QE    LYS+ 106  13.21 +/- 2.94   1.824% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  17.84 +/- 2.52   0.454% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.43, residual support = 134.6:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.08 +/- 0.03  92.456% * 98.5861% (0.99  10.0 10.00   3.43 134.65) =  99.979%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.73 +/- 1.87   1.679% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.018%
          HB3   LYS+  99 - QE    LYS+ 106  10.17 +/- 1.70   1.713% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QE    LYS+ 106   8.98 +/- 1.88   2.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  12.91 +/- 2.03   0.525% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  14.22 +/- 2.54   0.449% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  13.90 +/- 1.63   0.358% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  16.49 +/- 2.58   0.247% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  13.63 +/- 1.30   0.368% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  17.21 +/- 3.24   0.204% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.2:
    * O T HB    VAL  107 - HA    VAL  107   2.88 +/- 0.14  91.858% * 99.6302% (0.73  10.0 10.00   3.31  60.17) =  99.996%  kept
          QE    LYS+ 112 - HA    VAL  107  10.64 +/- 1.23   2.332% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    VAL  107  17.53 +/- 2.75   0.888% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    VAL  107  10.90 +/- 1.29   1.992% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    VAL  107  10.45 +/- 1.83   2.417% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  23.49 +/- 2.17   0.191% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.28 +/- 0.99   0.323% *  0.0272% (0.20   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 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.2:
    * O T HA    VAL  107 - HB    VAL  107   2.88 +/- 0.14  90.399% * 99.7511% (0.73  10.0 10.00   3.31  60.17) =  99.996%  kept
          HA    ALA  110 - HB    VAL  107   8.53 +/- 1.82   5.867% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB    VAL  107  12.55 +/- 1.63   1.396% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HB    VAL  107  19.09 +/- 1.47   0.340% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  13.42 +/- 1.71   1.132% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  14.22 +/- 1.79   0.866% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 65.0:
    * O T HB    VAL  108 - HA    VAL  108   2.66 +/- 0.34  87.385% * 99.4465% (1.00  10.0 10.00   3.58  65.01) =  99.988%  kept
          HB2   PRO   93 - HA    VAL  108   8.08 +/- 2.71  10.446% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.010%
          HB    ILE  119 - HA    VAL  108  13.23 +/- 2.03   0.899% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    VAL  108  16.54 +/- 3.10   0.524% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    VAL  108  21.87 +/- 1.40   0.180% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.22 +/- 0.84   0.166% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.76 +/- 1.44   0.160% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  23.85 +/- 3.26   0.191% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  37.07 +/- 5.06   0.049% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.0:
    * O T QG1   VAL  108 - HA    VAL  108   2.63 +/- 0.06  97.512% * 99.8607% (1.00  10.0 10.00   3.97  65.01) =  99.999%  kept
          HB3   LEU   63 - HA    VAL  108  15.49 +/- 3.23   0.668% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  14.88 +/- 1.51   0.613% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.68 +/- 3.25   0.811% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  17.45 +/- 2.51   0.395% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.61 +/- 0.50  94.937% * 99.7938% (1.00  10.0 10.00   3.30  65.01) =  99.997%  kept
          QD1   ILE  119 - HA    VAL  108  10.53 +/- 1.67   2.222% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HA    VAL  108  13.87 +/- 0.63   0.824% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    VAL  108  10.55 +/- 1.20   2.017% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.96 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 3.57, residual support = 64.7:
    * O T HA    VAL  108 - HB    VAL  108   2.66 +/- 0.34  86.461% * 96.1483% (1.00  10.0 10.00   3.58  65.01) =  99.510%  kept
          HA1   GLY  109 - HB    VAL  108   5.61 +/- 0.26  11.009% *  3.7057% (0.31   1.0  1.00   2.50   7.42) =   0.488%  kept
          HA    ALA   47 - HB    VAL  108  14.75 +/- 3.52   0.870% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HB    VAL  108  16.60 +/- 4.09   1.190% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  18.84 +/- 4.29   0.470% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 65.0:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  98.900% * 99.8607% (1.00  10.0 10.00   3.74  65.01) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  16.87 +/- 3.33   0.284% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  15.17 +/- 1.67   0.318% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  17.54 +/- 3.24   0.303% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  18.28 +/- 2.69   0.195% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 65.0:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.00  98.378% * 99.1471% (1.00  10.0 10.00   3.29  65.01) =  99.994%  kept
        T QD1   ILE  119 - HB    VAL  108  11.99 +/- 1.77   0.677% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - HB    VAL  108  12.99 +/- 0.61   0.447% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  12.81 +/- 1.12   0.498% *  0.0372% (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 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.983, support = 3.95, residual support = 63.6:
    * O T HA    VAL  108 - QG1   VAL  108   2.63 +/- 0.06  64.344% * 95.2116% (1.00  10.0 10.00   3.97  65.01) =  97.581%  kept
          HA1   GLY  109 - QG1   VAL  108   3.34 +/- 0.24  32.668% *  4.6437% (0.31   1.0  1.00   3.16   7.42) =   2.416%  kept
          HA    ALA   47 - QG1   VAL  108  12.47 +/- 3.04   0.999% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QG1   VAL  108  14.03 +/- 3.54   1.370% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QG1   VAL  108  15.74 +/- 3.61   0.619% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 65.0:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  96.013% * 99.4465% (1.00  10.0 10.00   3.74  65.01) =  99.997%  kept
          HB2   PRO   93 - QG1   VAL  108   8.84 +/- 2.50   2.639% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - QG1   VAL  108  13.17 +/- 1.73   0.463% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  15.78 +/- 2.90   0.372% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.28 +/- 1.03   0.134% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  19.92 +/- 1.56   0.125% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  20.74 +/- 1.40   0.109% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  22.09 +/- 2.79   0.110% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  32.79 +/- 4.48   0.035% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG2   VAL  108 - QG1   VAL  108   2.08 +/- 0.03  97.978% * 99.7938% (1.00  10.0 10.00   3.44  65.01) =  99.999%  kept
          QD1   ILE  119 - QG1   VAL  108  10.77 +/- 1.37   0.826% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QG1   VAL  108  12.70 +/- 0.48   0.439% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.83 +/- 0.87   0.757% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 3.29, residual support = 64.6:
    * O T HA    VAL  108 - QG2   VAL  108   2.61 +/- 0.50  79.820% * 96.3199% (1.00  10.0 10.00   3.30  65.01) =  99.251%  kept
          HA1   GLY  109 - QG2   VAL  108   5.07 +/- 0.38  16.369% *  3.5337% (0.31   1.0  1.00   2.38   7.42) =   0.747%  kept
          HA    ALA   47 - QG2   VAL  108  12.25 +/- 2.45   1.169% *  0.0944% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QG2   VAL  108  14.00 +/- 3.12   1.806% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QG2   VAL  108  15.80 +/- 3.03   0.836% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 65.0:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.00  95.429% * 98.6316% (1.00  10.0 10.00   3.29  65.01) =  99.991%  kept
        T HB    ILE  119 - QG2   VAL  108  12.20 +/- 2.08   0.618% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - QG2   VAL  108   8.68 +/- 2.22   2.935% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG2   VAL  108  15.73 +/- 2.51   0.338% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.23 +/- 0.96   0.189% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  18.16 +/- 1.63   0.169% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  19.02 +/- 1.64   0.145% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  20.37 +/- 2.54   0.133% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  31.06 +/- 4.63   0.044% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.0:
    * O T QG1   VAL  108 - QG2   VAL  108   2.08 +/- 0.03  98.183% * 99.8607% (1.00  10.0 10.00   3.44  65.01) =  99.999%  kept
          HB3   LEU   63 - QG2   VAL  108  13.87 +/- 2.59   0.445% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  12.39 +/- 1.63   0.561% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  14.31 +/- 2.61   0.494% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  14.96 +/- 2.20   0.318% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.33:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  98.856% * 98.9563% (1.00  10.0 10.00   2.00   9.33) =  99.998%  kept
        T HB2   TRP   49 - HA1   GLY  109  18.06 +/- 4.52   0.156% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR  118 - HA1   GLY  109  12.34 +/- 2.51   0.559% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  14.88 +/- 2.96   0.214% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.78 +/- 2.15   0.215% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 9.32:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  93.474% * 94.0055% (1.00  10.0 10.00   2.00   9.33) =  99.733%  kept
          HA    VAL  108 - HA2   GLY  109   4.42 +/- 0.06   5.827% *  3.9864% (0.31   1.0  1.00   2.75   7.42) =   0.264%  kept
        T HA    CYS   50 - HA2   GLY  109  16.05 +/- 3.74   0.208% *  0.9380% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HA    TRP   49 - HA2   GLY  109  18.31 +/- 3.78   0.125% *  0.9072% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   47 - HA2   GLY  109  15.12 +/- 3.58   0.272% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  24.96 +/- 2.83   0.039% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.14 +/- 1.22   0.055% *  0.0458% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.58:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.02  95.594% * 98.4934% (1.00  10.0 10.00   1.31   9.58) =  99.993%  kept
        T QB    ALA   61 - HA    ALA  110  14.44 +/- 2.85   0.484% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          QG    LYS+  66 - HA    ALA  110  18.08 +/- 4.81   2.536% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - HA    ALA  110  21.40 +/- 5.16   0.234% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  16.57 +/- 2.38   0.244% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  21.33 +/- 2.90   0.114% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  20.12 +/- 2.59   0.134% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  21.58 +/- 4.44   0.216% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  20.93 +/- 3.54   0.139% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  25.74 +/- 3.50   0.064% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.72 +/- 1.47   0.177% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  24.51 +/- 1.42   0.065% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.57:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.02  84.593% * 94.3391% (1.00  10.0 10.00   1.31   9.58) =  99.875%  kept
          HA    PHE   55 - QB    ALA  110  11.03 +/- 3.84   2.018% *  4.6125% (0.87   1.0  1.00   1.13   0.10) =   0.116%  kept
        T HA    ALA  110 - QB    ALA   61  14.44 +/- 2.85   0.429% *  0.6981% (0.74   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL  107 - QB    ALA  110   7.37 +/- 1.42   3.220% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA  110  11.64 +/- 2.93   0.828% *  0.0925% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QB    ALA   61   9.60 +/- 2.71   3.910% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QB    ALA   61  10.19 +/- 1.22   0.922% *  0.0606% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QB    ALA  110   9.16 +/- 3.21   2.737% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA   61  16.15 +/- 2.37   0.239% *  0.0684% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  12.82 +/- 2.04   0.558% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  15.20 +/- 2.19   0.287% *  0.0262% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.35 +/- 1.89   0.260% *  0.0138% (0.15   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 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 7.96, residual support = 314.4:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.72 +/- 0.29  80.744% * 97.8506% (1.00  10.0 10.00   7.98 315.14) =  99.750%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.86 +/- 0.66  17.118% *  1.1479% (0.57   1.0  1.00   0.41   1.72) =   0.248%  kept
        T HG3   GLN   30 - HA    LYS+ 111  25.89 +/- 3.81   0.117% *  0.4763% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    LYS+ 111  12.32 +/- 1.14   0.959% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  25.39 +/- 4.63   0.173% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  24.30 +/- 5.09   0.279% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  27.28 +/- 3.83   0.105% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  28.12 +/- 2.97   0.084% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  29.73 +/- 4.00   0.080% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  24.52 +/- 3.04   0.146% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.30 +/- 3.38   0.118% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.87 +/- 2.06   0.079% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.1:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.19 +/- 0.53  76.394% * 99.2615% (1.00  10.0 10.00   7.31 315.14) =  99.987%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.36 +/- 2.84  13.134% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   63 - HA    LYS+ 111  16.06 +/- 3.33   2.177% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HA    LYS+ 111  14.35 +/- 2.67   1.664% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - HA    LYS+ 111  13.91 +/- 3.19   1.699% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+ 111  14.53 +/- 2.85   1.252% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+ 111  20.79 +/- 3.34   0.385% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.85 +/- 3.94   1.887% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.43 +/- 1.18   0.411% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.94 +/- 2.57   0.234% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.39 +/- 2.50   0.440% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  26.53 +/- 3.41   0.184% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  30.82 +/- 3.57   0.139% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 7.29, residual support = 311.2:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.80 +/- 0.77  85.227% * 89.5902% (1.00  10.0 10.00   7.31 315.14) =  98.636%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.66 +/- 0.83  10.657% *  9.8595% (0.38   1.0  1.00   5.86  28.70) =   1.357%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  19.97 +/- 3.35   0.855% *  0.3362% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          HG12  ILE   89 - HA    LYS+ 111  14.43 +/- 2.73   1.627% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HA    LYS+ 111  24.83 +/- 4.36   0.548% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  25.65 +/- 4.13   0.432% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.55 +/- 2.73   0.362% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  25.48 +/- 3.47   0.292% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 315.0:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.54 +/- 0.61  63.480% * 98.3525% (1.00 10.00   6.21 315.14) =  99.945%  kept
          HG3   PRO   93 - HA    LYS+ 111   7.60 +/- 3.31  19.533% *  0.0853% (0.87  1.00   0.02   0.02) =   0.027%
          HB3   MET   92 - HA    LYS+ 111   9.28 +/- 2.82  11.272% *  0.0964% (0.98  1.00   0.02   0.02) =   0.017%
        T QD    LYS+ 102 - HA    LYS+ 111  22.28 +/- 1.83   0.307% *  0.6756% (0.69 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HA    LYS+ 111  12.48 +/- 1.75   2.294% *  0.0714% (0.73  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HA    LYS+ 111  18.04 +/- 2.74   0.999% *  0.1518% (0.15 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HA    LYS+ 111  27.53 +/- 3.40   0.184% *  0.3036% (0.31 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 111  17.95 +/- 1.10   0.585% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 111  21.51 +/- 4.01   0.451% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 111  21.56 +/- 2.34   0.430% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  20.14 +/- 2.96   0.466% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 315.1:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.40 +/- 0.49  84.720% * 98.5544% (1.00 10.00   6.21 315.14) =  99.973%  kept
        T QD    LYS+  33 - HA    LYS+ 111  26.48 +/- 4.25   0.827% *  0.8839% (0.90 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  65 - HA    LYS+ 111  18.04 +/- 2.74   2.455% *  0.2457% (0.25 10.00   0.02   0.02) =   0.007%
          QB    ALA   57 - HA    LYS+ 111  12.17 +/- 2.10   6.015% *  0.0983% (1.00  1.00   0.02   0.02) =   0.007%
          HD2   LYS+  74 - HA    LYS+ 111  20.72 +/- 3.38   1.364% *  0.0823% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    LYS+ 111  19.05 +/- 1.03   1.169% *  0.0884% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  15.41 +/- 1.12   2.157% *  0.0274% (0.28  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  20.14 +/- 2.96   1.293% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.37 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.1:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.46 +/- 0.53  94.268% * 99.8490% (1.00 10.00   5.62 315.14) =  99.995%  kept
          HB2   PHE   45 - HA    LYS+ 111  12.84 +/- 2.89   5.078% *  0.0945% (0.95  1.00   0.02   0.02) =   0.005%
          HB2   CYS   21 - HA    LYS+ 111  23.10 +/- 4.53   0.654% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.07 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  97.686% * 99.7221% (1.00  10.0 10.00   7.98 315.14) =  99.998%  kept
          HA    PRO   52 - HB2   LYS+ 111  12.82 +/- 3.17   1.997% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - HG3   GLN   30  25.89 +/- 3.81   0.142% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  24.24 +/- 3.45   0.175% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 0.998, support = 7.31, residual support = 314.4:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.84 +/- 0.19  74.389% * 94.4885% (1.00  10.0 10.00   7.31 315.14) =  99.738%  kept
          HB2   LEU   31 - HG3   GLN   30   7.68 +/- 0.38   3.981% *  4.4961% (0.20   1.0  1.00   4.78  51.14) =   0.254%  kept
          HB3   PRO   93 - HB2   LYS+ 111   9.87 +/- 2.94   6.014% *  0.0292% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HB2   LYS+ 111  17.14 +/- 3.50   0.834% *  0.0789% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HB2   LYS+ 111  15.70 +/- 3.00   0.889% *  0.0686% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   LYS+ 111  14.82 +/- 3.13   1.116% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB2   LYS+ 111  15.79 +/- 2.99   0.776% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  21.11 +/- 6.43   1.975% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  27.57 +/- 3.60   0.109% *  0.1899% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  14.17 +/- 3.27   1.281% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  22.29 +/- 3.60   0.223% *  0.0872% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  15.20 +/- 4.18   1.112% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  16.36 +/- 6.04   0.848% *  0.0175% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.99 +/- 1.48   0.273% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  13.34 +/- 1.86   0.930% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  13.71 +/- 2.54   0.950% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  25.27 +/- 3.56   0.145% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  21.06 +/- 2.98   0.253% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  27.44 +/- 3.95   0.112% *  0.0937% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.57 +/- 3.20   0.505% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  14.80 +/- 3.13   0.816% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  31.54 +/- 3.84   0.071% *  0.0757% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  14.07 +/- 2.35   1.374% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  16.61 +/- 2.98   0.475% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  19.49 +/- 2.31   0.270% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  19.98 +/- 2.77   0.281% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.994, support = 7.28, residual support = 312.6:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.81 +/- 0.22  60.471% * 88.3649% (1.00  10.0 10.00   7.29 315.14) =  99.104%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.56 +/- 0.97   4.636% * 10.3145% (0.38   1.0  1.00   6.22  28.70) =   0.887%  kept
        T HG2   LYS+  74 - HG3   GLN   30  11.21 +/- 2.28   1.607% *  0.0667% (0.08   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HB2   LYS+ 111  21.37 +/- 3.70   0.254% *  0.3316% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HG3   GLN   30   5.59 +/- 1.84  22.050% *  0.0035% (0.04   1.0  1.00   0.02  14.81) =   0.001%
          HG12  ILE   89 - HB2   LYS+ 111  15.76 +/- 2.75   0.581% *  0.0876% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HB2   LYS+ 111  26.69 +/- 4.26   0.115% *  0.3633% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   GLN   30   9.09 +/- 4.03   4.421% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HG3   GLN   30   9.93 +/- 4.12   4.700% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HB2   LYS+ 111  26.50 +/- 3.73   0.098% *  0.1749% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.66 +/- 3.57   0.085% *  0.1776% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  25.94 +/- 4.32   0.140% *  0.0396% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  24.84 +/- 3.72   0.147% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  19.86 +/- 2.55   0.206% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  17.18 +/- 2.76   0.339% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  24.07 +/- 4.48   0.150% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 315.1:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.42 +/- 0.38  64.672% * 97.6852% (1.00  10.0 10.00   6.62 315.14) =  99.973%  kept
          HG3   PRO   93 - HB2   LYS+ 111   9.17 +/- 3.49   8.715% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.012%
          HB2   LEU   73 - HG3   GLN   30   6.56 +/- 3.26  16.559% *  0.0176% (0.18   1.0  1.00   0.02   5.34) =   0.005%
          HB3   MET   92 - HB2   LYS+ 111  10.96 +/- 2.93   2.262% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HB2   LYS+ 111  22.38 +/- 2.42   0.113% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HB2   LYS+ 111  12.80 +/- 2.67   0.978% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  13.87 +/- 3.13   2.196% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   GLN   30  13.23 +/- 1.74   0.567% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+ 111  19.26 +/- 2.58   0.196% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  22.94 +/- 6.86   1.465% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  19.18 +/- 3.68   0.180% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  22.04 +/- 2.83   0.124% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  17.59 +/- 1.39   0.205% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  28.13 +/- 3.69   0.056% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.17 +/- 4.07   0.076% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  22.75 +/- 4.23   0.153% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  21.79 +/- 3.23   0.142% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.28 +/- 3.12   0.410% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  21.58 +/- 3.22   0.176% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.72 +/- 2.03   0.182% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  22.52 +/- 2.61   0.128% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  16.41 +/- 4.99   0.447% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.979, support = 6.47, residual support = 307.2:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.15 +/- 0.33  61.180% * 91.4761% (1.00  10.0 10.00   6.62 315.14) =  97.478%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.06 +/- 1.03  20.884% *  6.8936% (0.18   1.0 10.00   0.84   0.48) =   2.507%  kept
        T QD    LYS+  65 - HG3   GLN   30  13.87 +/- 3.13   4.722% *  0.0458% (0.05   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  33 - HB2   LYS+ 111  27.33 +/- 4.52   0.201% *  0.8204% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HB2   LYS+ 111  13.03 +/- 1.92   1.311% *  0.0913% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HB2   LYS+ 111  19.26 +/- 2.58   0.420% *  0.2281% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HG3   GLN   30  23.34 +/- 7.22   4.757% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG3   GLN   30  11.30 +/- 2.81   2.334% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HB2   LYS+ 111  18.66 +/- 1.19   0.322% *  0.0820% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  22.09 +/- 3.64   0.305% *  0.0764% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  29.06 +/- 3.86   0.120% *  0.1839% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  16.53 +/- 3.23   0.965% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  15.29 +/- 1.95   0.609% *  0.0254% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  21.58 +/- 3.22   0.291% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  21.00 +/- 5.14   0.740% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  16.41 +/- 4.99   0.838% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.15 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   3.53 +/- 0.71  66.609% * 99.6189% (1.00 10.00   6.05 315.14) =  99.991%  kept
          HB2   CYS   21 - HG3   GLN   30   6.75 +/- 3.03  30.051% *  0.0113% (0.11  1.00   0.02   0.02) =   0.005%
          HB2   PHE   45 - HB2   LYS+ 111  14.27 +/- 3.22   1.863% *  0.0942% (0.95  1.00   0.02   0.02) =   0.003%
        T QE    LYS+ 111 - HG3   GLN   30  25.52 +/- 3.45   0.233% *  0.2002% (0.20 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB2   LYS+ 111  24.24 +/- 4.85   0.430% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  17.16 +/- 2.37   0.815% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 5.00 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   3.19 +/- 0.53  96.095% * 99.9354% (1.00  10.0 10.00   7.31 315.14) =  99.997%  kept
          HA    PRO   52 - HG2   LYS+ 111  12.80 +/- 3.49   3.905% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.53 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 = 7.28, residual support = 313.3:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.84 +/- 0.19  76.787% * 96.9494% (1.00  10.0 10.00   7.31 315.14) =  99.411%  kept
          QB    GLU- 114 - HG2   LYS+ 111   5.23 +/- 1.44  21.378% *  2.0583% (0.57   1.0  1.00   0.75   1.72) =   0.588%  kept
        T HG3   GLN   30 - HG2   LYS+ 111  27.57 +/- 3.60   0.112% *  0.4719% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   LYS+ 111  13.60 +/- 1.43   0.805% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  27.58 +/- 4.46   0.155% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  26.49 +/- 5.01   0.224% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  29.29 +/- 3.61   0.092% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  29.90 +/- 2.81   0.075% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  30.97 +/- 4.36   0.073% *  0.0869% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  26.28 +/- 3.08   0.112% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.94 +/- 3.25   0.108% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  29.10 +/- 2.72   0.080% *  0.0270% (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 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 = 0.998, support = 6.98, residual support = 314.4:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  97.212% * 89.3023% (1.00  10.0 10.00   6.98 315.14) =  99.750%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.42 +/- 1.72   2.371% *  9.0783% (0.38   1.0  1.00   5.42  28.70) =   0.247%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  15.43 +/- 2.81   0.191% *  0.8851% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG2   LYS+ 111  21.66 +/- 3.60   0.079% *  0.3352% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  25.86 +/- 3.56   0.040% *  0.3046% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  26.82 +/- 4.16   0.041% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  27.64 +/- 4.03   0.034% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  27.30 +/- 3.48   0.031% *  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   2.87 +/- 0.15  81.596% * 97.1375% (1.00  10.0 10.00   6.21 315.14) =  99.965%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  13.04 +/- 2.82   1.502% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.013%
          HG3   PRO   93 - HG2   LYS+ 111   9.04 +/- 3.97  10.962% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.012%
          HB3   MET   92 - HG2   LYS+ 111  10.38 +/- 3.45   4.404% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  99 - HG2   LYS+ 111  22.72 +/- 3.13   0.195% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   LYS+ 111  23.00 +/- 2.56   0.178% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+ 111  19.88 +/- 2.85   0.301% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG2   LYS+ 111  29.04 +/- 3.20   0.087% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  19.04 +/- 1.69   0.299% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  23.23 +/- 4.09   0.218% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.18 +/- 3.30   0.257% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.1:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.49 +/- 0.26  97.849% * 97.8296% (1.00  10.0 10.00   6.21 315.14) =  99.995%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  22.41 +/- 3.73   0.198% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG2   LYS+ 111  27.92 +/- 4.08   0.102% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  19.88 +/- 2.85   0.311% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+ 111  13.73 +/- 1.85   0.702% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG2   LYS+ 111  20.14 +/- 1.58   0.229% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  16.50 +/- 1.84   0.395% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.18 +/- 3.30   0.214% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.02 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   2.72 +/- 0.47  98.407% * 99.8490% (1.00  10.0 10.00   5.62 315.14) =  99.999%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.23 +/- 3.08   1.298% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+ 111  24.61 +/- 4.72   0.295% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.1:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.80 +/- 0.77  85.640% * 99.8218% (1.00  10.0 10.00   7.31 315.14) =  99.997%  kept
          HA    PRO   52 - HG3   LYS+ 111  12.57 +/- 3.50   1.699% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - HG2   LYS+  74  19.97 +/- 3.35   0.789% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - HG2   LYS+  74  17.57 +/- 4.06  11.873% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.28, residual support = 315.1:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.81 +/- 0.22  68.116% * 98.2440% (1.00  10.0 10.00   7.29 315.14) =  99.978%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.40 +/- 1.05  15.899% *  0.0556% (0.57   1.0  1.00   0.02   1.72) =   0.013%
        T HB    ILE   19 - HG2   LYS+  74   9.21 +/- 3.63   5.358% *  0.0511% (0.05   1.0 10.00   0.02   8.14) =   0.004%
        T HG3   GLN   30 - HG2   LYS+  74  11.21 +/- 2.28   1.825% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HG3   LYS+ 111  26.37 +/- 3.11   0.109% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG3   LYS+ 111  27.66 +/- 3.57   0.094% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG2   LYS+  74  21.37 +/- 3.70   0.280% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.88 +/- 1.27   0.652% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  12.48 +/- 3.79   1.266% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  27.66 +/- 4.46   0.133% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  26.55 +/- 4.98   0.201% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  29.38 +/- 3.77   0.080% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.00 +/- 2.19   0.721% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  29.92 +/- 2.95   0.067% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  15.49 +/- 3.40   0.712% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  31.05 +/- 4.22   0.066% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  15.64 +/- 2.97   0.501% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.38 +/- 1.85   2.073% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  15.39 +/- 3.19   0.717% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  27.01 +/- 3.19   0.095% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  29.04 +/- 2.69   0.074% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  18.52 +/- 1.79   0.279% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  20.78 +/- 3.29   0.343% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  18.06 +/- 2.78   0.339% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  85.727% * 98.9181% (1.00  10.0 10.00   6.98 315.14) =  99.998%  kept
          HB3   PRO   93 - HG3   LYS+ 111   9.86 +/- 3.15   1.414% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG2   LYS+  74   7.58 +/- 3.56   4.690% *  0.0077% (0.08   1.0  1.00   0.02   5.10) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74   9.90 +/- 3.07   2.662% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  14.06 +/- 3.25   0.279% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  16.15 +/- 2.80   0.164% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  18.71 +/- 2.81   0.118% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  18.19 +/- 3.35   0.132% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  15.00 +/- 3.23   0.239% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  10.96 +/- 2.74   0.771% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  21.66 +/- 3.60   0.070% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  20.33 +/- 2.87   0.081% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  21.72 +/- 3.59   0.060% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  14.89 +/- 4.28   0.268% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.47 +/- 1.40   0.057% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  26.26 +/- 3.28   0.033% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  21.61 +/- 2.73   0.055% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  28.04 +/- 3.55   0.025% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.80 +/- 1.05   1.311% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  14.58 +/- 2.03   0.197% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.30 +/- 3.09   0.430% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  13.48 +/- 3.37   0.539% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.42 +/- 1.82   0.425% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  32.57 +/- 3.35   0.015% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.78 +/- 2.17   0.148% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.67 +/- 4.16   0.093% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.39, residual support = 314.5:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.82 +/- 0.19  56.398% * 94.6581% (1.00  10.0 10.00   5.40 315.14) =  99.766%  kept
          HB2   LEU   73 - HG2   LYS+  74   6.84 +/- 0.68   4.420% *  2.1623% (0.10   1.0  1.00   4.77  42.18) =   0.179%  kept
          HG3   PRO   93 - HG3   LYS+ 111   8.79 +/- 3.74  13.376% *  0.0821% (0.87   1.0  1.00   0.02   0.02) =   0.021%
        T QD    LYS+ 106 - HG3   LYS+ 111  12.95 +/- 2.62   1.472% *  0.6874% (0.73   1.0 10.00   0.02   0.02) =   0.019%
          HB3   MET   92 - HG3   LYS+ 111  10.10 +/- 3.42   2.983% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HG2   LYS+  74   9.44 +/- 3.60  11.578% *  0.0156% (0.02   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HG3   LYS+ 111  22.74 +/- 2.97   0.177% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+ 111  22.91 +/- 2.41   0.120% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  20.06 +/- 2.45   0.205% *  0.1461% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+  74  22.46 +/- 4.11   0.266% *  0.1012% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG2   LYS+  74  15.89 +/- 1.98   0.353% *  0.0735% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  16.93 +/- 2.46   0.370% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  19.70 +/- 3.59   0.280% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  29.07 +/- 3.23   0.059% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  19.31 +/- 1.44   0.190% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  23.30 +/- 4.04   0.157% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.79 +/- 2.70   5.304% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  15.32 +/- 3.66   1.117% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  18.88 +/- 2.56   0.289% *  0.0312% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  15.44 +/- 3.57   0.502% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.05 +/- 3.32   0.167% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  20.97 +/- 4.14   0.217% *  0.0091% (0.10   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 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.931, support = 5.41, residual support = 305.4:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.70 +/- 0.29  44.615% * 89.7666% (1.00  10.0 10.00   5.40 315.14) =  92.397%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.78 +/- 0.19  41.068% *  8.0133% (0.09  10.0 10.00   5.54 186.80) =   7.592%  kept
        T QD    LYS+  65 - HG2   LYS+  74   9.44 +/- 3.60   7.083% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   LYS+  74 - HG3   LYS+ 111  22.44 +/- 3.85   0.133% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG3   LYS+ 111  13.65 +/- 2.09   0.541% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   LYS+ 111  28.04 +/- 4.01   0.058% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+  74  14.23 +/- 1.90   0.390% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  20.06 +/- 2.45   0.121% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  74  12.06 +/- 3.75   1.568% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  23.28 +/- 4.05   0.125% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.42 +/- 1.31   0.106% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.79 +/- 2.70   3.520% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.77 +/- 1.52   0.211% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.05 +/- 3.32   0.141% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.59 +/- 4.33   0.132% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.98 +/- 3.41   0.190% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.1:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.47 +/- 0.49  86.242% * 99.7265% (1.00  10.0 10.00   5.44 315.14) =  99.997%  kept
          HB2   PHE   45 - HG3   LYS+ 111  14.06 +/- 3.09   0.981% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+  74   8.52 +/- 3.08  10.379% *  0.0060% (0.06   1.0  1.00   0.02  10.13) =   0.001%
        T QE    LYS+ 111 - HG2   LYS+  74  20.05 +/- 3.75   0.346% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74  10.38 +/- 3.20   1.906% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  24.70 +/- 4.65   0.145% *  0.0565% (0.57   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 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   3.54 +/- 0.61  91.120% * 99.4172% (1.00 10.00   6.21 315.14) =  99.993%  kept
          HA    PRO   52 - HD2   LYS+ 111  13.47 +/- 3.63   3.768% *  0.0643% (0.65  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 111 - QD    LYS+  65  18.04 +/- 2.74   1.395% *  0.1523% (0.15 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - QD    LYS+ 102  22.28 +/- 1.83   0.444% *  0.2599% (0.26 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QD    LYS+  65  15.74 +/- 2.33   2.187% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  27.53 +/- 3.40   0.259% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  25.41 +/- 2.94   0.492% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  27.46 +/- 4.04   0.334% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 315.1:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.42 +/- 0.38  57.065% * 97.9440% (1.00  10.0 10.00   6.62 315.14) =  99.981%  kept
          QB    GLU- 114 - HD2   LYS+ 111   5.38 +/- 1.47   9.518% *  0.0555% (0.57   1.0  1.00   0.02   1.72) =   0.009%
        T HG3   GLN   30 - QD    LYS+  65  13.87 +/- 3.13   1.951% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QD    LYS+ 102  22.94 +/- 6.72   2.422% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD2   LYS+ 111  28.17 +/- 4.07   0.066% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+ 102   7.55 +/- 1.87   3.778% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  12.59 +/- 3.02   3.573% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.26 +/- 2.58   0.169% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  22.38 +/- 2.42   0.097% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  65  11.57 +/- 3.66   1.668% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  19.18 +/- 3.68   0.159% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  13.23 +/- 1.74   0.483% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  38  11.70 +/- 7.03   7.893% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65  10.10 +/- 1.47   1.221% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  20.17 +/- 4.45   0.396% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.73 +/- 1.44   0.364% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  14.47 +/- 3.24   0.506% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  27.75 +/- 4.57   0.082% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.10 +/- 1.60   1.103% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  15.89 +/- 3.02   0.773% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  29.66 +/- 3.92   0.053% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.14 +/- 2.15   0.687% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  26.62 +/- 5.16   0.121% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  31.73 +/- 4.60   0.055% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  22.32 +/- 4.83   0.190% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  26.79 +/- 3.64   0.093% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  18.41 +/- 4.90   0.330% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  30.12 +/- 3.26   0.044% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  14.36 +/- 3.06   1.101% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  28.13 +/- 3.69   0.049% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  17.70 +/- 2.26   0.208% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  21.93 +/- 3.30   0.134% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  15.32 +/- 2.31   0.385% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.37 +/- 2.12   0.252% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.37 +/- 3.77   0.165% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  21.20 +/- 3.78   0.174% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  15.34 +/- 2.93   0.488% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.54 +/- 3.73   0.065% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.65 +/- 1.76   0.396% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  14.62 +/- 2.23   0.334% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  29.37 +/- 3.02   0.043% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  18.05 +/- 3.58   0.198% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  19.91 +/- 2.49   0.137% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  12.47 +/- 1.74   0.550% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  20.55 +/- 3.48   0.131% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.48 +/- 3.48   0.142% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  23.41 +/- 2.98   0.077% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  23.15 +/- 4.96   0.112% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.906, support = 6.16, residual support = 305.5:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.87 +/- 0.15  24.138% * 90.8110% (1.00  10.0 10.00   6.21 315.14) =  90.030%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.34 +/- 0.16  44.038% *  5.4729% (0.06  10.0 10.00   5.75 220.04) =   9.899%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  10.87 +/- 3.33   2.581% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.030%
        T HG2   LYS+  99 - QD    LYS+  38  11.60 +/- 6.34   5.432% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.014%
        T HG2   LYS+  99 - QD    LYS+ 102   8.70 +/- 1.39   1.434% *  0.2129% (0.23   1.0 10.00   0.02   1.38) =   0.013%
          HB3   ASP-  44 - QD    LYS+  65   9.71 +/- 3.14   7.708% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  38 - QD    LYS+ 102  17.33 +/- 4.91   0.212% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - HD2   LYS+ 111  26.51 +/- 3.46   0.036% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.48 +/- 0.86   1.614% *  0.0116% (0.13   1.0  1.00   0.02   3.44) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   8.09 +/- 1.38   1.654% *  0.0106% (0.12   1.0  1.00   0.02   1.61) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  18.63 +/- 3.17   0.138% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HD2   LYS+ 111  18.53 +/- 3.56   0.180% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.84 +/- 3.82   0.018% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.88 +/- 2.85   0.089% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+ 102  23.00 +/- 2.56   0.052% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 111  16.92 +/- 3.20   0.181% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.12 +/- 3.28   0.288% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  19.93 +/- 2.81   0.100% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.15 +/- 3.14   0.218% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  16.50 +/- 4.75   0.265% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  10.43 +/- 3.74   2.821% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.01 +/- 1.93   0.848% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  22.92 +/- 3.92   0.069% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  16.38 +/- 3.94   0.444% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.11 +/- 1.62   0.074% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.88 +/- 4.27   0.265% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  18.99 +/- 3.90   0.158% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  13.34 +/- 2.47   0.315% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  19.64 +/- 7.33   0.719% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.36 +/- 3.34   0.190% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.57 +/- 3.92   0.029% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.20 +/- 3.06   0.062% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.18 +/- 2.75   0.250% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  13.50 +/- 3.07   0.469% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.80 +/- 1.63   0.111% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  19.24 +/- 2.14   0.095% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.32 +/- 3.09   0.236% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.94 +/- 3.70   0.383% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  29.04 +/- 3.20   0.026% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  19.30 +/- 4.83   0.116% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.84 +/- 3.07   0.193% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.02 +/- 3.74   0.174% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.55 +/- 2.78   0.179% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  16.41 +/- 3.39   0.276% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  14.65 +/- 3.15   0.246% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.45 +/- 3.99   0.097% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.22 +/- 1.66   0.074% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.57 +/- 1.59   0.103% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  18.57 +/- 3.52   0.383% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.36 +/- 2.27   0.078% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  20.23 +/- 1.97   0.081% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  23.35 +/- 3.55   0.062% *  0.0021% (0.02   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 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 0.989, support = 5.38, residual support = 309.9:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.82 +/- 0.19  53.391% * 90.8445% (1.00  10.0 10.00   5.40 315.14) =  98.183%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   8.43 +/- 1.88  11.869% *  7.4468% (0.38   1.0  1.00   4.37  28.70) =   1.789%  kept
        T HG2   LYS+  74 - QD    LYS+  65   9.44 +/- 3.60  10.997% *  0.0522% (0.06   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   LYS+  99 - QD    LYS+ 102   8.48 +/- 1.69   3.481% *  0.0810% (0.09   1.0 10.00   0.02   1.38) =   0.006%
        T HG3   LYS+  99 - QD    LYS+  38  12.09 +/- 5.91   9.044% *  0.0233% (0.03   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - HD2   LYS+ 111  22.46 +/- 4.11   0.173% *  0.3409% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+ 111  16.40 +/- 2.93   0.464% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+ 102  22.91 +/- 2.41   0.110% *  0.2375% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HD2   LYS+ 111  26.09 +/- 3.62   0.083% *  0.3099% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - QD    LYS+ 102  19.70 +/- 3.59   0.285% *  0.0891% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  20.06 +/- 2.45   0.172% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.60 +/- 3.22   0.383% *  0.0475% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  15.52 +/- 2.53   0.428% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  17.61 +/- 4.24   0.527% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  18.88 +/- 2.56   0.279% *  0.0257% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.19 +/- 2.37   1.070% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.38 +/- 2.07   1.803% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  10.99 +/- 1.84   1.437% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.95 +/- 2.06   0.720% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  29.07 +/- 3.23   0.058% *  0.0684% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  27.31 +/- 4.38   0.091% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  28.05 +/- 4.32   0.077% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  18.63 +/- 3.31   0.247% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.10 +/- 2.26   0.496% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  18.66 +/- 3.43   0.256% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.32 +/- 2.10   0.767% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.75 +/- 4.00   0.074% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  19.74 +/- 3.81   0.254% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  13.91 +/- 2.66   0.667% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  23.38 +/- 2.11   0.098% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.36 +/- 2.01   0.112% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  26.53 +/- 3.75   0.086% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.11 A, kept.
 
    Peak 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   2.33 +/- 0.15  94.073% * 99.2899% (1.00  10.0 10.00   4.97 315.14) =  99.998%  kept
          HB2   PHE   45 - HD2   LYS+ 111  15.16 +/- 3.56   0.857% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+ 102  21.00 +/- 2.60   0.155% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  18.52 +/- 2.72   0.236% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  13.45 +/- 3.92   1.762% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  19.43 +/- 4.91   0.798% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.09 +/- 3.04   1.190% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.27 +/- 5.28   0.167% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.60 +/- 2.13   0.259% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  26.64 +/- 3.20   0.078% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  17.68 +/- 2.16   0.295% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.52 +/- 1.60   0.131% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 315.1:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.40 +/- 0.49  87.222% * 98.7339% (1.00 10.00   6.21 315.14) =  99.979%  kept
        T HA    LYS+ 111 - QD    LYS+  33  26.48 +/- 4.25   0.852% *  0.8848% (0.90 10.00   0.02   0.02) =   0.009%
        T HA    LYS+ 111 - QD    LYS+  65  18.04 +/- 2.74   2.524% *  0.2444% (0.25 10.00   0.02   0.02) =   0.007%
          HA    PRO   52 - HD3   LYS+ 111  13.97 +/- 3.70   5.533% *  0.0639% (0.65  1.00   0.02   0.02) =   0.004%
          HA    PRO   52 - QD    LYS+  65  15.74 +/- 2.33   3.239% *  0.0158% (0.16  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QD    LYS+  33  25.38 +/- 3.33   0.630% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.964, support = 6.25, residual support = 295.5:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.15 +/- 0.33  33.143% * 81.9190% (1.00  10.0 10.00   6.62 315.14) =  93.767%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.06 +/- 1.03  11.528% * 14.9377% (0.44   1.0 10.00   0.84   0.48) =   5.947%  kept
          HB2   GLN   30 - QD    LYS+  33   5.31 +/- 0.81   8.523% *  0.6832% (0.20   1.0  1.00   0.84   0.48) =   0.201%  kept
          QB    GLU-  15 - QD    LYS+  33   9.43 +/- 3.45   9.068% *  0.0728% (0.89   1.0  1.00   0.02   0.02) =   0.023%
          QB    GLU- 114 - HD3   LYS+ 111   6.03 +/- 1.59   8.566% *  0.0464% (0.57   1.0  1.00   0.02   1.72) =   0.014%
          HB3   PRO   68 - QD    LYS+  33  15.49 +/- 3.83   5.337% *  0.0637% (0.78   1.0  1.00   0.02   0.02) =   0.012%
          HB2   GLN   17 - QD    LYS+  33  11.05 +/- 3.04   4.626% *  0.0728% (0.89   1.0  1.00   0.02   0.02) =   0.012%
        T HG3   GLN   30 - QD    LYS+  65  13.87 +/- 3.13   2.021% *  0.0987% (0.12   1.0 10.00   0.02   0.02) =   0.007%
          HB    ILE   19 - QD    LYS+  33   8.08 +/- 1.92   3.455% *  0.0357% (0.44   1.0  1.00   0.02   0.02) =   0.004%
          HG2   PRO   68 - QD    LYS+  33  15.95 +/- 3.51   2.339% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  33  27.33 +/- 4.52   0.095% *  0.7341% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD    LYS+  33  12.14 +/- 1.32   0.672% *  0.0658% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QD    LYS+  65  11.57 +/- 3.66   1.975% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  65  19.26 +/- 2.58   0.162% *  0.2028% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65  10.10 +/- 1.47   1.389% *  0.0176% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   LYS+ 111  29.06 +/- 3.86   0.054% *  0.3987% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  65  14.47 +/- 3.24   0.605% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.10 +/- 1.60   1.446% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  15.99 +/- 4.22   0.496% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  18.41 +/- 4.90   0.479% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  23.04 +/- 3.87   0.183% *  0.0416% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.14 +/- 2.15   0.694% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  22.30 +/- 5.07   0.388% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  14.70 +/- 1.57   0.342% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  14.36 +/- 3.06   1.154% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  28.87 +/- 4.59   0.054% *  0.0711% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  30.70 +/- 3.76   0.045% *  0.0812% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.37 +/- 2.12   0.274% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  31.06 +/- 3.12   0.039% *  0.0812% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  32.44 +/- 4.60   0.037% *  0.0735% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  27.74 +/- 5.19   0.067% *  0.0337% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  27.73 +/- 3.45   0.055% *  0.0399% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.65 +/- 1.76   0.447% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  28.41 +/- 3.51   0.053% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  30.14 +/- 3.26   0.039% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.48 +/- 3.48   0.151% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.7:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.49 +/- 0.26  60.559% * 94.0216% (1.00  10.0 10.00   6.21 315.14) =  99.844%  kept
          HB2   LEU   31 - QD    LYS+  33   7.61 +/- 0.80   2.477% *  3.1314% (0.89   1.0  1.00   0.75   0.93) =   0.136%  kept
          QB    ALA  124 - QD    LYS+  33  19.99 +/- 6.81   4.010% *  0.0477% (0.51   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - QD    LYS+  65   9.71 +/- 3.14   9.029% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  38 - QD    LYS+  33   9.38 +/- 1.54   2.039% *  0.0675% (0.72   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - QD    LYS+  65  18.63 +/- 3.17   0.311% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.48 +/- 0.86   3.090% *  0.0194% (0.21   1.0  1.00   0.02   3.44) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  11.62 +/- 3.35   2.022% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  33  27.92 +/- 4.08   0.064% *  0.8425% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.88 +/- 2.85   0.193% *  0.2328% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+  33  15.14 +/- 4.10   0.590% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    LYS+  65  16.38 +/- 3.94   1.397% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  33  15.89 +/- 3.38   0.420% *  0.0704% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  19.93 +/- 2.81   0.155% *  0.1864% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    LYS+  33  18.33 +/- 5.17   0.317% *  0.0778% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  15.26 +/- 3.42   0.519% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  19.59 +/- 3.54   0.247% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  10.43 +/- 3.74   5.328% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  17.79 +/- 3.09   0.265% *  0.0683% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  15.88 +/- 1.85   0.276% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  15.79 +/- 2.93   1.113% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  15.07 +/- 2.67   0.369% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.40 +/- 3.31   0.366% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.39 +/- 3.95   0.112% *  0.0868% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.36 +/- 3.34   0.352% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  14.94 +/- 3.70   0.900% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  13.50 +/- 3.07   0.924% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  16.41 +/- 4.40   0.442% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.86 +/- 1.65   0.118% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.71 +/- 2.23   0.206% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.32 +/- 3.09   0.430% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  27.32 +/- 3.82   0.064% *  0.0843% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  19.64 +/- 1.81   0.144% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.84 +/- 3.07   0.489% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  29.39 +/- 3.95   0.053% *  0.0932% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  22.96 +/- 3.17   0.104% *  0.0422% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.02 +/- 3.74   0.362% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.38 +/- 2.83   0.116% *  0.0260% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  33.76 +/- 3.67   0.028% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.993, support = 5.38, residual support = 311.9:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.70 +/- 0.29  56.796% * 90.2626% (1.00  10.0 10.00   5.40 315.14) =  98.855%  kept
          HD2   LYS+ 112 - HD3   LYS+ 111   9.30 +/- 1.86   7.776% *  7.4092% (0.38   1.0  1.00   4.37  28.70) =   1.111%  kept
        T HG2   LYS+  74 - QD    LYS+  65   9.44 +/- 3.60   8.246% *  0.0839% (0.09   1.0 10.00   0.02   0.02) =   0.013%
          HB3   LEU   71 - QD    LYS+  33   8.76 +/- 4.11   8.819% *  0.0363% (0.40   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   71 - QD    LYS+  33   9.29 +/- 3.87   5.485% *  0.0333% (0.37   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - QD    LYS+  33  14.23 +/- 1.90   0.543% *  0.3036% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - QD    LYS+  33   7.78 +/- 2.12   6.406% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+  33  28.04 +/- 4.01   0.078% *  0.8089% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HD3   LYS+ 111  23.28 +/- 4.05   0.160% *  0.3388% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  20.06 +/- 2.45   0.157% *  0.2235% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD3   LYS+ 111  16.84 +/- 2.96   0.356% *  0.0895% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QD    LYS+  65  18.60 +/- 3.22   0.293% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  15.75 +/- 3.86   0.658% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.19 +/- 2.37   1.186% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  20.92 +/- 1.66   0.141% *  0.0802% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  17.61 +/- 4.24   0.417% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.95 +/- 2.06   0.757% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.32 +/- 2.10   0.890% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.10 +/- 2.26   0.429% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  25.05 +/- 4.57   0.117% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  28.28 +/- 4.25   0.075% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  26.91 +/- 3.99   0.083% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  29.04 +/- 4.22   0.065% *  0.0371% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  28.73 +/- 3.81   0.067% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 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   2.43 +/- 0.14  93.552% * 98.5534% (1.00  10.0 10.00   4.97 315.14) =  99.995%  kept
        T QE    LYS+ 111 - QD    LYS+  33  25.80 +/- 3.76   0.129% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    LYS+  33  10.55 +/- 2.84   1.857% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  18.52 +/- 2.72   0.317% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD3   LYS+ 111  15.78 +/- 3.48   0.632% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - QD    LYS+  65  13.45 +/- 3.92   1.987% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  19.02 +/- 1.64   0.222% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.09 +/- 3.04   1.170% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  26.08 +/- 5.10   0.135% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.1:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.46 +/- 0.53  95.881% * 99.9354% (1.00 10.00   5.62 315.14) =  99.997%  kept
          HA    PRO   52 - QE    LYS+ 111  11.81 +/- 3.35   4.119% *  0.0646% (0.65  1.00   0.02   0.02) =   0.003%
    Distance limit 3.43 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.1:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.53 +/- 0.71  70.927% * 98.9314% (1.00 10.00   6.05 315.14) =  99.976%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.86 +/- 1.21  25.275% *  0.0560% (0.57  1.00   0.02   1.72) =   0.020%
        T HG3   GLN   30 - QE    LYS+ 111  25.52 +/- 3.45   0.248% *  0.4816% (0.49 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - QE    LYS+ 111  13.46 +/- 1.19   1.586% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  28.40 +/- 4.04   0.254% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  26.92 +/- 3.77   0.211% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  25.33 +/- 4.18   0.225% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  27.38 +/- 3.10   0.190% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  24.28 +/- 3.23   0.361% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  24.37 +/- 4.65   0.273% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.94 +/- 3.19   0.267% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.64 +/- 2.97   0.183% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 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   2.72 +/- 0.47  82.319% * 99.2615% (1.00  10.0 10.00   5.62 315.14) =  99.991%  kept
          QB    ALA   88 - QE    LYS+ 111  12.86 +/- 3.04   3.780% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QE    LYS+ 111   9.59 +/- 2.94   5.250% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QE    LYS+ 111  17.13 +/- 2.96   1.176% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QE    LYS+ 111  15.23 +/- 2.86   1.150% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QE    LYS+ 111  13.72 +/- 3.09   1.888% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QE    LYS+ 111  19.86 +/- 3.63   0.468% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QE    LYS+ 111  13.77 +/- 4.00   2.486% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  24.19 +/- 3.37   0.353% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  20.05 +/- 3.11   0.569% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  19.11 +/- 1.32   0.307% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.83 +/- 3.27   0.144% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.88 +/- 3.27   0.111% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 0.994, support = 5.44, residual support = 312.5:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.47 +/- 0.49  88.577% * 91.1957% (1.00  10.0 10.00   5.44 315.14) =  99.067%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   8.04 +/- 1.61   9.196% *  8.2441% (0.38   1.0  1.00   4.82  28.70) =   0.930%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  20.05 +/- 3.75   0.364% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - QE    LYS+ 111  14.04 +/- 2.78   1.186% *  0.0904% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QE    LYS+ 111  23.84 +/- 3.52   0.264% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  24.85 +/- 4.00   0.153% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  25.51 +/- 3.94   0.130% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  25.21 +/- 3.64   0.130% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.1:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.33 +/- 0.15  80.666% * 98.3525% (1.00  10.0 10.00   4.97 315.14) =  99.978%  kept
          HG3   PRO   93 - QE    LYS+ 111   8.52 +/- 3.43  12.563% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.014%
          HB3   MET   92 - QE    LYS+ 111   9.42 +/- 3.02   3.845% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+ 106 - QE    LYS+ 111  12.19 +/- 2.75   1.817% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+ 111  21.00 +/- 2.60   0.133% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  18.52 +/- 2.72   0.203% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  26.64 +/- 3.20   0.066% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  18.28 +/- 1.21   0.173% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.97 +/- 3.10   0.192% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  21.63 +/- 3.92   0.145% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  19.32 +/- 3.22   0.197% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.1:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.43 +/- 0.14  97.422% * 98.5544% (1.00  10.0 10.00   4.97 315.14) =  99.996%  kept
        T QD    LYS+  33 - QE    LYS+ 111  25.80 +/- 3.76   0.134% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+ 111  12.91 +/- 1.92   0.956% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  18.52 +/- 2.72   0.330% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+ 111  20.69 +/- 3.88   0.277% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  19.23 +/- 1.21   0.219% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  16.12 +/- 1.35   0.366% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  19.32 +/- 3.22   0.296% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 237.9:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.68 +/- 0.19  86.383% * 98.3538% (1.00  10.0 10.00   6.00 237.94) =  99.987%  kept
        T HB    VAL   42 - HA    LYS+ 112  16.08 +/- 2.34   0.510% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HA    LYS+ 112   7.60 +/- 2.72   8.563% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HA    LYS+ 112  14.12 +/- 0.99   0.635% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    LYS+ 112  17.09 +/- 2.30   0.410% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  19.05 +/- 3.60   0.355% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  15.04 +/- 2.29   0.620% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  12.30 +/- 2.08   1.176% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.18 +/- 1.76   0.129% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.53 +/- 1.28   0.425% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  26.36 +/- 3.78   0.117% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  17.43 +/- 1.35   0.334% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.30 +/- 1.80   0.257% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.52 +/- 3.31   0.087% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 237.9:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.20 +/- 0.64  89.871% * 99.8441% (1.00  10.0 10.00   6.08 237.94) =  99.991%  kept
          QG1   VAL   42 - HA    LYS+ 112  12.00 +/- 1.89   5.029% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   47 - HA    LYS+ 112  10.99 +/- 2.24   5.100% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.50 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.9:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.01 +/- 0.73  78.752% * 99.8009% (1.00  10.0 10.00   5.76 237.94) =  99.982%  kept
          HG    LEU   63 - HA    LYS+ 112  12.90 +/- 3.77  16.326% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.016%
          QG2   VAL  108 - HA    LYS+ 112   9.43 +/- 0.83   3.596% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   24 - HA    LYS+ 112  20.00 +/- 3.28   0.724% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    LYS+ 112  17.40 +/- 1.45   0.602% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.854, support = 6.12, residual support = 236.5:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.76 +/- 0.26  61.651% * 40.8053% (0.76  10.0 10.00   6.51 237.94) =  60.290%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.02 +/- 0.93  30.498% * 53.3942% (1.00   1.0 10.00   5.53 237.94) =  39.026%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.51 +/- 0.35   5.003% *  5.6883% (0.38   1.0  1.00   5.68  28.70) =   0.682%  kept
          QG2   THR   94 - HA    LYS+ 112   9.45 +/- 1.50   2.094% *  0.0428% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HA    LYS+ 112  22.28 +/- 3.69   0.222% *  0.0529% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  15.10 +/- 2.63   0.533% *  0.0165% (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 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 237.9:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.68 +/- 0.19  84.273% * 98.8850% (1.00  10.0 10.00   6.00 237.94) =  99.982%  kept
          HB2   HIS  122 - HB    VAL   42  12.22 +/- 5.53  10.366% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.009%
        T HA    LYS+ 112 - HB    VAL   42  16.08 +/- 2.34   0.495% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          HB    THR   46 - HB2   LYS+ 112  12.45 +/- 3.61   2.577% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   46 - HB    VAL   42  12.64 +/- 2.09   1.824% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB2   LYS+ 112  15.48 +/- 1.22   0.464% *  0.0887% (0.90   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 1425 (1.37, 1.37, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 112 - HB2   LYS+ 112  (1.00)  kept
          HB    VAL   42 - HB    VAL   42  (0.80)  kept
 
    Peak 1426 (0.36, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 5.51, residual support = 155.2:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.02  62.949% * 40.6012% (0.70  10.0 10.00   4.55  89.61) =  55.734%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.64 +/- 0.29  35.191% * 57.6594% (1.00  10.0 10.00   6.74 237.94) =  44.248%  kept
        T QB    ALA   47 - HB2   LYS+ 112  11.31 +/- 2.65   0.856% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   VAL   42 - HB2   LYS+ 112  13.16 +/- 2.06   0.555% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.006%
        T QB    ALA   47 - HB    VAL   42  14.10 +/- 1.67   0.270% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 112 - HB    VAL   42  16.91 +/- 2.85   0.179% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.9:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.79 +/- 0.24  76.206% * 98.8037% (1.00  10.0 10.00   5.76 237.94) =  99.977%  kept
          HG    LEU   63 - HB    VAL   42   8.17 +/- 2.90  11.317% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.010%
          HG    LEU   63 - HB2   LYS+ 112  13.68 +/- 3.86   5.371% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 112 - HB    VAL   42  17.11 +/- 2.90   0.443% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - HB    VAL   42  10.34 +/- 3.89   2.788% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB2   LYS+ 112  11.20 +/- 0.97   1.291% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB    VAL   42  13.06 +/- 1.79   0.866% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB    VAL   42  12.37 +/- 1.75   1.108% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  20.83 +/- 3.82   0.354% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.13 +/- 1.38   0.258% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.804, support = 7.03, residual support = 237.6:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  82.381% * 40.4569% (0.76  10.0 10.00   7.19 237.94) =  82.781%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.54 +/- 0.49  12.961% * 52.9382% (1.00  10.0 10.00   6.23 237.94) =  17.041%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   7.26 +/- 0.58   1.236% *  5.5959% (0.38   1.0  1.00   5.63  28.70) =   0.172%  kept
          HB3   LEU   71 - HB    VAL   42   8.41 +/- 2.26   1.537% *  0.0442% (0.84   1.0  1.00   0.02   1.07) =   0.002%
        T HD2   LYS+ 112 - HB    VAL   42  17.30 +/- 2.89   0.116% *  0.4463% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 112 - HB    VAL   42  17.71 +/- 3.07   0.147% *  0.3411% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB2   LYS+ 112  10.96 +/- 1.92   0.616% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB    VAL   42   9.60 +/- 1.05   0.564% *  0.0357% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HB2   LYS+ 112  23.28 +/- 4.11   0.068% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  14.06 +/- 1.46   0.178% *  0.0138% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  16.88 +/- 2.63   0.121% *  0.0163% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  20.16 +/- 2.95   0.074% *  0.0167% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 237.9:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.20 +/- 0.64  84.439% * 99.8459% (1.00  10.0 10.00   6.08 237.94) =  99.988%  kept
          HB    THR   46 - HG2   LYS+ 112  11.51 +/- 4.26  14.617% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.011%
          HB2   HIS  122 - HG2   LYS+ 112  15.42 +/- 1.32   0.943% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 237.9:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.64 +/- 0.29  75.657% * 98.3538% (1.00  10.0 10.00   6.74 237.94) =  99.979%  kept
          HB3   PRO   93 - HG2   LYS+ 112   7.81 +/- 3.13  19.287% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.012%
        T HB    VAL   42 - HG2   LYS+ 112  16.91 +/- 2.85   0.445% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HG2   LYS+ 112  15.74 +/- 1.97   0.667% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG2   LYS+ 112  17.01 +/- 2.36   0.363% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  19.44 +/- 4.01   0.347% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  15.62 +/- 2.93   0.529% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  12.52 +/- 3.09   1.477% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  25.56 +/- 2.51   0.111% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  18.48 +/- 2.29   0.382% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  26.91 +/- 4.04   0.106% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.13 +/- 1.56   0.332% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  20.46 +/- 2.80   0.225% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  28.44 +/- 3.14   0.073% *  0.0517% (0.53   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 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 237.9:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  98.077% * 99.8009% (1.00  10.0 10.00   6.98 237.94) =  99.999%  kept
          HG    LEU   63 - HG2   LYS+ 112  13.26 +/- 3.42   1.177% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HG2   LYS+ 112  11.10 +/- 1.36   0.548% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  20.40 +/- 3.62   0.110% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.81 +/- 1.68   0.087% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.892, support = 6.77, residual support = 237.2:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.75 +/- 0.24  46.079% * 53.0060% (1.00  10.0 10.00   6.56 237.94) =  54.771%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.67 +/- 0.25  49.413% * 40.5087% (0.76  10.0 10.00   7.03 237.94) =  44.886%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.80 +/- 0.91   2.388% *  6.3740% (0.38   1.0  1.00   6.41  28.70) =   0.341%  kept
          QG2   THR   94 - HG2   LYS+ 112  10.51 +/- 2.27   1.628% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HG2   LYS+ 112  22.75 +/- 4.05   0.215% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  16.27 +/- 2.76   0.278% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.9:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.01 +/- 0.73  81.198% * 99.8459% (1.00  10.0 10.00   5.76 237.94) =  99.985%  kept
          HB    THR   46 - HG3   LYS+ 112  11.63 +/- 4.14  18.085% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.014%
          HB2   HIS  122 - HG3   LYS+ 112  15.85 +/- 1.30   0.718% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 237.9:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.79 +/- 0.24  72.391% * 98.3538% (1.00  10.0 10.00   5.76 237.94) =  99.977%  kept
          HB3   PRO   93 - HG3   LYS+ 112   7.79 +/- 3.19  23.057% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.016%
        T HB    VAL   42 - HG3   LYS+ 112  17.11 +/- 2.90   0.356% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HG3   LYS+ 112  15.63 +/- 2.06   0.516% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   LYS+ 112  17.52 +/- 2.69   0.413% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG3   LYS+ 112  15.45 +/- 3.10   0.733% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  19.74 +/- 3.82   0.261% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  12.76 +/- 3.12   1.146% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  25.54 +/- 2.47   0.104% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  18.53 +/- 2.33   0.307% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.50 +/- 1.42   0.336% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  27.14 +/- 4.05   0.089% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  20.51 +/- 2.79   0.218% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  28.82 +/- 3.23   0.072% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 237.9:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  97.909% * 99.8441% (1.00  10.0 10.00   6.98 237.94) =  99.998%  kept
          QB    ALA   47 - HG3   LYS+ 112  10.50 +/- 2.90   1.725% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   42 - HG3   LYS+ 112  12.89 +/- 2.24   0.366% *  0.0834% (0.84   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 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.91, support = 6.13, residual support = 237.3:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.46 +/- 0.16  53.308% * 53.1819% (1.00  10.0 10.00   5.58 237.94) =  62.230%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.69 +/- 0.27  41.982% * 40.6431% (0.76  10.0  1.00   7.04 237.94) =  37.453%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.17 +/- 0.72   2.367% *  6.0633% (0.38   1.0  1.00   6.08  28.70) =   0.315%  kept
          QG2   THR   94 - HG3   LYS+ 112  10.34 +/- 2.39   1.904% *  0.0426% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HG3   LYS+ 112  23.04 +/- 4.20   0.191% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  16.02 +/- 2.83   0.248% *  0.0164% (0.31   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 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 237.9:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.02 +/- 0.93  83.074% * 99.8459% (1.00 10.00   5.53 237.94) =  99.986%  kept
          HB    THR   46 - HD2   LYS+ 112  11.99 +/- 4.22  14.882% *  0.0646% (0.65  1.00   0.02   0.02) =   0.012%
          HB2   HIS  122 - HD2   LYS+ 112  15.49 +/- 2.02   2.044% *  0.0895% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.03 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 237.8:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.54 +/- 0.49  64.088% * 98.3538% (1.00  10.0 10.00   6.23 237.94) =  99.962%  kept
          HB3   PRO   93 - HD2   LYS+ 112   8.58 +/- 3.52  26.011% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.020%
        T HB    VAL   42 - HD2   LYS+ 112  17.30 +/- 2.89   0.750% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.011%
          HG3   LYS+ 106 - HD2   LYS+ 112  16.26 +/- 2.78   1.310% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HD2   LYS+ 112  17.10 +/- 2.68   0.641% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HD2   LYS+ 112  19.81 +/- 4.03   0.526% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HD2   LYS+ 112  16.00 +/- 3.37   1.136% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 112  13.01 +/- 3.34   3.181% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HD2   LYS+ 112  26.01 +/- 2.86   0.200% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.07 +/- 1.79   0.705% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  18.91 +/- 2.65   0.623% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  20.91 +/- 3.17   0.491% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  27.11 +/- 4.36   0.186% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  28.55 +/- 3.52   0.152% *  0.0517% (0.53   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 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.56, residual support = 237.9:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.75 +/- 0.24  92.495% * 99.8441% (1.00  10.0 10.00   6.56 237.94) =  99.994%  kept
          QB    ALA   47 - HD2   LYS+ 112  10.90 +/- 3.00   6.045% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   42 - HD2   LYS+ 112  13.12 +/- 2.37   1.461% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 237.9:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.46 +/- 0.16  95.140% * 99.8009% (1.00  10.0 10.00   5.58 237.94) =  99.997%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.33 +/- 3.43   1.865% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HD2   LYS+ 112  11.58 +/- 2.14   2.218% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HD2   LYS+ 112  20.51 +/- 4.08   0.519% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.20 +/- 2.14   0.257% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.04 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 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.38) = 100.000%  kept
    Distance limit 2.87 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 +/- 0.12  97.357% * 99.1713% (1.00  10.0 10.00   2.00  14.38) =  99.994%  kept
        T HA    PHE   59 - QB    ASP- 113  12.39 +/- 0.86   0.754% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   56 - QB    ASP- 113  10.67 +/- 1.40   1.300% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QB    ASP- 113  15.62 +/- 0.77   0.371% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  22.03 +/- 2.28   0.147% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.92 +/- 2.95   0.071% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.875, support = 3.7, residual support = 51.4:
    * O T QB    GLU- 114 - HA    GLU- 114   2.27 +/- 0.15  47.597% * 56.5460% (0.97  10.0 10.00   3.40  43.01) =  86.872%  kept
        T QB    GLU- 114 - HA    LEU  115   4.38 +/- 0.37   7.767% * 26.0231% (0.44   1.0 10.00   5.28  21.60) =   6.524%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.63 +/- 0.21  31.815% *  5.3364% (0.09  10.0 10.00   6.44 226.06) =   5.480%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.73 +/- 0.20   2.978% * 11.5954% (0.20   1.0 10.00   4.40  21.60) =   1.115%  kept
          HB2   LYS+ 111 - HA    GLU- 114   5.99 +/- 1.43   5.016% *  0.0425% (0.73   1.0  1.00   0.02   1.72) =   0.007%
          HB2   LYS+ 111 - HA    LEU  115   7.97 +/- 1.30   1.495% *  0.0196% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HA    LEU  115  10.41 +/- 2.65   1.972% *  0.0060% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.14 +/- 2.65   0.527% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  23.40 +/- 4.82   0.069% *  0.0508% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  19.63 +/- 4.34   0.138% *  0.0234% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.65 +/- 2.60   0.045% *  0.0541% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.53 +/- 2.25   0.077% *  0.0249% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  27.25 +/- 2.73   0.031% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  27.59 +/- 2.72   0.031% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  30.47 +/- 3.53   0.024% *  0.0554% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  24.56 +/- 4.00   0.051% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  23.13 +/- 2.48   0.052% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  20.74 +/- 3.54   0.092% *  0.0111% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  24.13 +/- 2.20   0.044% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  26.73 +/- 3.42   0.037% *  0.0255% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  25.90 +/- 3.80   0.051% *  0.0079% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  21.80 +/- 3.54   0.093% *  0.0036% (0.06   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 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.84, support = 3.94, residual support = 36.7:
    * O T QG    GLU- 114 - HA    GLU- 114   3.14 +/- 0.41  50.185% * 68.1764% (1.00  10.0 10.00   3.54  43.01) =  70.704%  kept
        T QG    GLU- 114 - HA    LEU  115   3.79 +/- 1.15  45.179% * 31.3756% (0.46   1.0 10.00   4.90  21.60) =  29.293%  kept
          HG2   MET   92 - HA    GLU- 114  15.39 +/- 3.12   0.796% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    LEU  115  13.71 +/- 2.80   1.257% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU- 114  14.91 +/- 2.38   0.627% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    LEU  115  13.00 +/- 2.32   1.189% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HA    GLU- 114  23.34 +/- 1.94   0.142% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  19.82 +/- 1.79   0.229% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.91 +/- 4.78   0.061% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.37 +/- 4.35   0.095% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  31.74 +/- 3.77   0.060% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  28.06 +/- 3.69   0.088% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  34.50 +/- 3.69   0.040% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  31.06 +/- 3.41   0.054% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.932, support = 3.6, residual support = 40.7:
    * O T HA    GLU- 114 - QB    GLU- 114   2.27 +/- 0.15  83.540% * 59.0968% (0.97  10.0 10.00   3.40  43.01) =  89.217%  kept
        T HA    LEU  115 - QB    GLU- 114   4.38 +/- 0.37  14.698% * 40.5940% (0.66   1.0 10.00   5.28  21.60) =  10.782%  kept
        T HA    ARG+  54 - QB    GLU- 114  14.04 +/- 1.29   0.417% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    GLU- 114  11.56 +/- 1.69   0.947% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  21.49 +/- 1.86   0.115% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  23.70 +/- 3.19   0.103% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  23.10 +/- 3.07   0.108% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.59 +/- 2.79   0.072% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1452 (2.00, 2.00, 29.90 ppm):
    1 diagonal assignment:
    *     QB    GLU- 114 - QB    GLU- 114  (0.93)  kept
 
    Peak 1453 (2.31, 2.00, 29.90 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 3.83, residual support = 43.0:
    * O T QG    GLU- 114 - QB    GLU- 114   2.08 +/- 0.04  98.189% * 99.1187% (0.96  10.0 10.00   3.83  43.01) =  99.998%  kept
          HG2   MET   92 - QB    GLU- 114  12.30 +/- 2.85   0.902% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QB    GLU- 114  12.54 +/- 2.25   0.651% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  27.83 +/- 3.20   0.047% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  19.82 +/- 1.84   0.122% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  28.37 +/- 4.00   0.053% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  30.79 +/- 3.30   0.036% *  0.0339% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.878, support = 4.06, residual support = 34.8:
    * O T HA    GLU- 114 - QG    GLU- 114   3.14 +/- 0.41  51.074% * 59.1519% (1.00  10.0 10.00   3.54  43.01) =  61.789%  kept
        T HA    LEU  115 - QG    GLU- 114   3.79 +/- 1.15  45.980% * 40.6319% (0.69   1.0 10.00   4.90  21.60) =  38.210%  kept
          HA    CYS   53 - QG    GLU- 114  11.03 +/- 2.01   1.542% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  20.80 +/- 1.54   0.176% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.92 +/- 2.80   0.182% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.59 +/- 1.45   0.747% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.80 +/- 2.57   0.131% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  22.29 +/- 2.49   0.168% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.95, support = 3.83, residual support = 42.3:
    * O T QB    GLU- 114 - QG    GLU- 114   2.08 +/- 0.04  64.565% * 90.5934% (0.96  10.0 10.00   3.83  43.01) =  97.692%  kept
          HB2   LEU  115 - QG    GLU- 114   4.03 +/- 1.36  16.529% *  4.9793% (0.20   1.0  1.00   5.36  21.60) =   1.375%  kept
          HB2   LYS+ 111 - QG    GLU- 114   4.35 +/- 1.20  17.714% *  3.1486% (0.72   1.0  1.00   0.92   1.72) =   0.932%  kept
        T HB3   GLU-  25 - QG    GLU- 114  25.94 +/- 2.72   0.038% *  0.8880% (0.94   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  12.03 +/- 2.54   0.649% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  20.42 +/- 4.47   0.155% *  0.0814% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  21.01 +/- 2.09   0.069% *  0.0867% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  23.56 +/- 2.87   0.056% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  21.46 +/- 3.90   0.107% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  24.07 +/- 2.19   0.045% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  22.02 +/- 2.95   0.072% *  0.0127% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1456 (2.31, 2.31, 37.32 ppm):
    1 diagonal assignment:
    *     QG    GLU- 114 - QG    GLU- 114  (1.00)  kept
 
    Peak 1457 (4.12, 4.12, 59.41 ppm):
    3 diagonal assignments:
    *     HA    LEU  115 - HA    LEU  115  (0.70)  kept
          HA    ARG+  54 - HA    ARG+  54  (0.43)  kept
          HA    GLU- 114 - HA    GLU- 114  (0.08)  kept
 
    Peak 1458 (1.98, 4.12, 59.41 ppm):
    24 chemical-shift based assignments, quality = 0.65, support = 5.89, residual support = 188.6:
    * O T HB2   LEU  115 - HA    LEU  115   2.63 +/- 0.21  25.589% * 53.4396% (0.84  10.0 10.00   6.44 226.06) =  73.226%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.72 +/- 0.24  23.098% *  8.3306% (0.13  10.0  1.00   4.76 170.28) =  10.304%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.27 +/- 0.15  37.666% *  4.5129% (0.07  10.0 10.00   3.40  43.01) =   9.102%  kept
        T QB    GLU- 114 - HA    LEU  115   4.38 +/- 0.37   6.204% * 16.4940% (0.26   1.0 10.00   5.28  21.60) =   5.479%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.73 +/- 0.20   2.354% * 14.6214% (0.23   1.0 10.00   4.40  21.60) =   1.843%  kept
        T HB2   LEU  115 - HA    ARG+  54  11.75 +/- 1.28   0.309% *  2.1815% (0.47   1.0 10.00   0.15   0.02) =   0.036%
          HG3   PRO   58 - HA    LEU  115  10.41 +/- 2.65   1.627% *  0.0533% (0.83   1.0  1.00   0.02   0.02) =   0.005%
          HG3   PRO   58 - HA    ARG+  54   8.56 +/- 1.53   1.062% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T QB    GLU- 114 - HA    ARG+  54  14.04 +/- 1.29   0.187% *  0.0925% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HA    GLU- 114  13.14 +/- 2.65   0.421% *  0.0146% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  16.80 +/- 2.73   0.131% *  0.0428% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  16.81 +/- 3.42   0.199% *  0.0240% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  20.21 +/- 4.07   0.246% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  19.63 +/- 4.34   0.105% *  0.0240% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.58 +/- 1.55   0.165% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  19.68 +/- 2.46   0.071% *  0.0281% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  18.36 +/- 3.65   0.101% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.53 +/- 2.25   0.062% *  0.0201% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  19.75 +/- 2.72   0.076% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  20.97 +/- 3.01   0.064% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  16.72 +/- 2.11   0.137% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  23.40 +/- 4.82   0.054% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  23.80 +/- 2.36   0.037% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.65 +/- 2.60   0.035% *  0.0055% (0.09   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 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.504, support = 6.29, residual support = 219.8:
    * O T HG    LEU  115 - HA    LEU  115   3.47 +/- 0.46  24.197% * 56.2178% (0.72  10.0 10.00   6.21 226.06) =  53.277%  kept
      O T HB3   LEU  115 - HA    LEU  115   2.42 +/- 0.27  55.758% * 20.0033% (0.26  10.0 10.00   6.55 226.06) =  43.684%  kept
        T HG    LEU  115 - HA    GLU- 114   6.19 +/- 0.86   3.816% * 15.3815% (0.20   1.0 10.00   3.94  21.60) =   2.299%  kept
        T HB3   LEU  115 - HA    GLU- 114   6.36 +/- 0.32   3.295% *  5.4730% (0.07   1.0 10.00   3.77  21.60) =   0.706%  kept
        T HG    LEU  115 - HA    ARG+  54  11.33 +/- 1.41   0.594% *  0.3152% (0.41   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA  120 - HA    LEU  115   7.34 +/- 0.52   2.081% *  0.0562% (0.72   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   LEU   40 - HA    LEU  115  18.56 +/- 2.84   0.161% *  0.6424% (0.83   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   67 - HA    LEU  115  17.37 +/- 3.41   0.236% *  0.2664% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU  115 - HA    ARG+  54  11.81 +/- 1.53   0.537% *  0.1122% (0.14   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU   40 - HA    ARG+  54  21.42 +/- 4.35   0.159% *  0.3602% (0.46   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - HA    LEU  115  17.06 +/- 2.54   0.199% *  0.2000% (0.26   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   67 - HA    ARG+  54  17.17 +/- 3.38   0.252% *  0.1494% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    GLU- 114   7.62 +/- 0.58   1.928% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   26 - HA    LEU  115  19.89 +/- 2.98   0.129% *  0.2211% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    ARG+  54  19.75 +/- 4.24   0.210% *  0.1122% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  115   8.76 +/- 1.31   1.402% *  0.0144% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    ARG+  54  17.75 +/- 3.33   2.126% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    GLU- 114  22.14 +/- 3.23   0.093% *  0.1758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    ARG+  54  14.89 +/- 2.08   0.385% *  0.0315% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  20.76 +/- 2.86   0.107% *  0.0547% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  18.25 +/- 2.05   0.146% *  0.0393% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  16.36 +/- 2.72   0.210% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.28 +/- 3.09   0.075% *  0.0605% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114  10.99 +/- 1.93   0.880% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  16.83 +/- 1.82   0.180% *  0.0180% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  18.97 +/- 3.75   0.259% *  0.0124% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  15.14 +/- 2.74   0.308% *  0.0101% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  21.46 +/- 3.79   0.117% *  0.0073% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  22.36 +/- 2.24   0.076% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  21.07 +/- 1.72   0.086% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.797, support = 6.18, residual support = 212.3:
    *   T QD1   LEU  115 - HA    LEU  115   3.91 +/- 0.44  67.070% * 75.3189% (0.84 10.00   6.34 226.06) =  93.342%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.56 +/- 0.37  15.594% * 20.6077% (0.23 10.00   4.35  21.60) =   5.938%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.11 +/- 1.18   9.797% *  3.9428% (0.47 10.00   0.19   0.02) =   0.714%  kept
          QG1   VAL   75 - HA    LEU  115  12.67 +/- 1.66   2.353% *  0.0712% (0.79  1.00   0.02   0.02) =   0.003%
          QG1   VAL   75 - HA    ARG+  54  12.07 +/- 2.71   4.014% *  0.0399% (0.44  1.00   0.02   0.02) =   0.003%
          QG1   VAL   75 - HA    GLU- 114  16.01 +/- 1.84   1.172% *  0.0195% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.774, support = 7.38, residual support = 214.4:
    *   T QD2   LEU  115 - HA    LEU  115   3.19 +/- 0.39  50.461% * 74.2337% (0.81 10.00   7.58 226.06) =  94.334%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.83 +/- 0.52  10.214% * 20.3107% (0.22 10.00   4.41  21.60) =   5.224%  kept
        T QD2   LEU  115 - HA    ARG+  54   8.84 +/- 1.65   3.344% *  4.8509% (0.45 10.00   0.23   0.02) =   0.409%  kept
          QD1   LEU   63 - HA    ARG+  54   9.32 +/- 2.87   7.376% *  0.0408% (0.44  1.00   0.02   0.02) =   0.008%
          QD1   LEU   63 - HA    LEU  115   9.89 +/- 2.82   4.001% *  0.0728% (0.79  1.00   0.02   0.02) =   0.007%
          QD2   LEU   63 - HA    LEU  115   9.97 +/- 3.10   4.943% *  0.0289% (0.31  1.00   0.02   0.02) =   0.004%
          QD1   LEU   73 - HA    LEU  115  15.05 +/- 3.57   1.931% *  0.0728% (0.79  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HA    ARG+  54  10.57 +/- 2.96   6.732% *  0.0162% (0.18  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HA    LEU  115  13.22 +/- 2.81   1.209% *  0.0588% (0.64  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HA    ARG+  54  15.21 +/- 3.39   1.719% *  0.0408% (0.44  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    LEU  115  18.12 +/- 2.29   0.459% *  0.0728% (0.79  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114  13.36 +/- 3.02   1.440% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU  115  16.23 +/- 2.72   1.088% *  0.0237% (0.26  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    ARG+  54  17.58 +/- 3.02   0.592% *  0.0408% (0.44  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    GLU- 114  13.52 +/- 3.32   1.510% *  0.0079% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  18.44 +/- 3.56   0.596% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  18.70 +/- 3.30   0.352% *  0.0330% (0.36  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  15.31 +/- 2.59   0.666% *  0.0161% (0.17  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  17.75 +/- 2.88   0.588% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.91 +/- 2.38   0.286% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  18.87 +/- 2.43   0.493% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.815, support = 6.36, residual support = 217.8:
    * O T HA    LEU  115 - HB2   LEU  115   2.63 +/- 0.21  88.415% * 70.2377% (0.84  10.0 10.00   6.44 226.06) =  95.948%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.73 +/- 0.20   9.108% * 28.6837% (0.34   1.0 10.00   4.40  21.60) =   4.036%  kept
        T HA    ARG+  54 - HB2   LEU  115  11.75 +/- 1.28   1.254% *  0.7762% (0.92   1.0 10.00   0.02   0.02) =   0.015%
          HA    ALA  124 - HB2   LEU  115  17.19 +/- 1.07   0.339% *  0.0702% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  22.66 +/- 3.27   0.201% *  0.0729% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.32 +/- 3.21   0.187% *  0.0578% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  18.93 +/- 2.31   0.265% *  0.0346% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  23.02 +/- 1.77   0.141% *  0.0409% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  28.97 +/- 3.56   0.090% *  0.0260% (0.31   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 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 = 0.569, support = 6.26, residual support = 226.0:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  75.040% * 25.8976% (0.31  10.0 10.00   6.32 226.06) =  53.358%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.63 +/- 0.21  23.338% * 72.7830% (0.87  10.0 10.00   6.19 226.06) =  46.638%  kept
        T HB3   LEU   40 - HB2   LEU  115  19.03 +/- 2.59   0.081% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HB2   LEU  115   8.90 +/- 0.64   0.613% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU  115  17.42 +/- 2.33   0.108% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU  115  17.33 +/- 3.57   0.196% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.98 +/- 1.25   0.346% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  17.68 +/- 1.95   0.083% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  16.48 +/- 2.02   0.117% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  19.71 +/- 3.13   0.079% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 226.1:
    * O T QD1   LEU  115 - HB2   LEU  115   2.29 +/- 0.14  99.178% * 99.9055% (1.00  10.0 10.00   6.21 226.06) =  99.999%  kept
          QG1   VAL   75 - HB2   LEU  115  12.08 +/- 1.76   0.822% *  0.0945% (0.95   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 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.33, residual support = 226.0:
    * O T QD2   LEU  115 - HB2   LEU  115   3.04 +/- 0.32  79.140% * 99.5578% (0.97  10.0 10.00   7.34 226.06) =  99.981%  kept
          QD1   LEU   63 - HB2   LEU  115   9.59 +/- 3.02   8.201% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.010%
          QD2   LEU   63 - HB2   LEU  115   9.84 +/- 3.29   8.289% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   73 - HB2   LEU  115  14.94 +/- 3.30   1.917% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   LEU  115  14.30 +/- 2.32   1.073% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  115  17.65 +/- 2.25   0.520% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  115  16.05 +/- 2.34   0.861% *  0.0318% (0.31   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 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.686, support = 6.01, residual support = 207.8:
    * O T HA    LEU  115 - HG    LEU  115   3.47 +/- 0.46  63.066% * 69.7478% (0.72  10.0 10.00   6.21 226.06) =  91.074%  kept
        T HA    GLU- 114 - HG    LEU  115   6.19 +/- 0.86  15.049% * 28.4836% (0.30   1.0 10.00   3.94  21.60) =   8.875%  kept
        T HA    ARG+  54 - HG    LEU  115  11.33 +/- 1.41   2.087% *  0.7708% (0.80   1.0 10.00   0.02   0.02) =   0.033%
        T HA    ARG+  54 - HG    LEU   40  19.75 +/- 4.24   0.853% *  0.2618% (0.27   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LEU  115 - HG    LEU   40  17.06 +/- 2.54   0.726% *  0.2369% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   34 - HG    LEU   40   8.57 +/- 1.36   6.844% *  0.0195% (0.20   1.0  1.00   0.02   0.40) =   0.003%
          HA    ASN   28 - HG    LEU   40  13.40 +/- 2.16   2.536% *  0.0246% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU  115  16.60 +/- 1.20   0.676% *  0.0697% (0.72   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 114 - HG    LEU   40  20.76 +/- 2.86   0.389% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  13.21 +/- 4.58   2.703% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU   40  19.79 +/- 7.57   1.320% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU  115  23.09 +/- 3.36   0.308% *  0.0724% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  13.63 +/- 1.73   2.007% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  19.76 +/- 2.38   0.475% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  23.79 +/- 2.92   0.252% *  0.0574% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.79 +/- 2.08   0.216% *  0.0406% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  20.59 +/- 2.00   0.363% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.45 +/- 3.19   0.130% *  0.0258% (0.27   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 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.859, support = 6.17, residual support = 223.2:
    * O T HB2   LEU  115 - HG    LEU  115   2.63 +/- 0.21  68.871% * 92.1066% (0.87  10.0 10.00   6.19 226.06) =  98.623%  kept
          QB    GLU- 114 - HG    LEU  115   5.70 +/- 1.09  13.787% *  6.2589% (0.27   1.0  1.00   4.40  21.60) =   1.342%  kept
        T HB2   LEU   67 - HG    LEU   40   7.96 +/- 1.99   4.821% *  0.2505% (0.24   1.0 10.00   0.02   0.02) =   0.019%
          HG3   PRO   58 - HG    LEU  115   8.88 +/- 2.14   5.041% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.007%
        T HB2   LEU   67 - HG    LEU  115  16.88 +/- 2.68   0.479% *  0.7375% (0.69   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LEU  115 - HG    LEU   40  17.42 +/- 2.33   0.341% *  0.3128% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   18 - HG    LEU   40  12.77 +/- 3.97   1.300% *  0.0165% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.52 +/- 1.58   0.797% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  11.05 +/- 2.21   1.443% *  0.0140% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  11.54 +/- 2.44   1.343% *  0.0117% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  19.20 +/- 2.60   0.270% *  0.0485% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  18.40 +/- 3.56   0.379% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  19.76 +/- 3.50   0.282% *  0.0413% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  20.38 +/- 2.80   0.209% *  0.0346% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  21.27 +/- 4.58   0.391% *  0.0087% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  18.36 +/- 2.41   0.247% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.99, residual support = 226.0:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.01  96.965% * 99.5358% (0.87  10.0 10.00   5.99 226.06) =  99.997%  kept
        T QD1   LEU  115 - HG    LEU   40  14.28 +/- 1.64   0.378% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU  115  12.46 +/- 2.26   0.718% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU   40  10.70 +/- 1.69   1.939% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.57 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 = 226.0:
    * O T QD2   LEU  115 - HG    LEU  115   2.11 +/- 0.02  78.812% * 99.0740% (0.84  10.0 10.00   7.07 226.06) =  99.989%  kept
          QD1   LEU   63 - HG    LEU  115   9.64 +/- 2.59   2.851% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HG    LEU  115   9.97 +/- 2.83   2.993% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU  115 - HG    LEU   40  14.14 +/- 1.74   0.321% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG    LEU   40   8.36 +/- 4.65   3.928% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU   40   7.89 +/- 2.32   6.249% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU   40   9.00 +/- 1.73   1.564% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU  115  15.20 +/- 3.50   0.513% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU   40   9.36 +/- 1.85   1.451% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG    LEU  115  14.74 +/- 2.60   0.327% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  18.18 +/- 2.13   0.146% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.62 +/- 3.21   0.282% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  16.71 +/- 2.23   0.204% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  13.97 +/- 2.44   0.358% *  0.0108% (0.09   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 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.794, support = 6.09, residual support = 205.5:
    *   T HA    LEU  115 - QD1   LEU  115   3.91 +/- 0.44  68.507% * 65.9687% (0.84 10.00   6.34 226.06) =  90.081%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.56 +/- 0.37  15.931% * 26.9403% (0.34 10.00   4.35  21.60) =   8.555%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.11 +/- 1.18  10.010% *  6.8070% (0.92 10.00   0.19   0.02) =   1.358%  kept
          HA    ALA  124 - QD1   LEU  115  14.76 +/- 1.03   1.379% *  0.0660% (0.84  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - QD1   LEU  115  18.48 +/- 2.83   1.088% *  0.0685% (0.87  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD1   LEU  115  19.19 +/- 2.37   0.832% *  0.0543% (0.69  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD1   LEU  115  15.54 +/- 1.76   1.239% *  0.0325% (0.41  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD1   LEU  115  19.67 +/- 1.77   0.625% *  0.0384% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  24.01 +/- 2.56   0.388% *  0.0244% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.995, support = 6.17, residual support = 223.2:
    * O T HB2   LEU  115 - QD1   LEU  115   2.29 +/- 0.14  73.690% * 90.1636% (1.00  10.0 10.00   6.21 226.06) =  98.678%  kept
          QB    GLU- 114 - QD1   LEU  115   5.68 +/- 0.65   6.630% *  7.0545% (0.31   1.0  1.00   5.07  21.60) =   0.695%  kept
          HG3   PRO   58 - QD1   LEU  115   6.87 +/- 2.20  16.432% *  2.5629% (1.00   1.0  1.00   0.57   0.02) =   0.625%  kept
          HB2   LEU   67 - QD1   LEU  115  13.15 +/- 2.44   0.766% *  0.0722% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115   9.11 +/- 1.33   1.452% *  0.0251% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD1   LEU  115  15.02 +/- 2.27   0.394% *  0.0474% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  15.84 +/- 2.94   0.366% *  0.0404% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  16.07 +/- 2.18   0.271% *  0.0338% (0.38   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 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 6.05, residual support = 226.0:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.01  58.877% * 72.7830% (0.87  10.0 10.00   5.99 226.06) =  81.546%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.49 +/- 0.24  37.432% * 25.8976% (0.31  10.0 10.00   6.33 226.06) =  18.447%  kept
        T HB3   LEU   40 - QD1   LEU  115  15.72 +/- 1.79   0.169% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QD1   LEU  115   8.19 +/- 0.69   1.107% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - QD1   LEU  115  14.28 +/- 1.64   0.220% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD1   LEU  115  13.66 +/- 2.76   0.580% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  13.85 +/- 1.71   0.247% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.89 +/- 0.96   0.621% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  12.47 +/- 1.88   0.481% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  15.76 +/- 2.93   0.266% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.34, residual support = 226.0:
    * O T QD2   LEU  115 - QD1   LEU  115   2.06 +/- 0.05  70.181% * 99.5578% (0.97  10.0 10.00   7.34 226.06) =  99.970%  kept
          QD1   LEU   63 - QD1   LEU  115   7.16 +/- 2.35  14.196% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.020%
          QD2   LEU   63 - QD1   LEU  115   7.51 +/- 2.52  13.654% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.008%
          QD1   LEU   73 - QD1   LEU  115  11.97 +/- 2.73   0.906% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QD1   LEU  115  12.35 +/- 2.09   0.515% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD1   LEU  115  14.34 +/- 1.74   0.237% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  13.29 +/- 1.70   0.311% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.769, support = 7.27, residual support = 208.3:
    *   T HA    LEU  115 - QD2   LEU  115   3.19 +/- 0.39  75.318% * 64.8722% (0.81 10.00   7.58 226.06) =  91.387%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.83 +/- 0.52  15.770% * 26.4926% (0.33 10.00   4.41  21.60) =   7.814%  kept
        T HA    ARG+  54 - QD2   LEU  115   8.84 +/- 1.65   5.087% *  8.3559% (0.89 10.00   0.23   0.02) =   0.795%  kept
          HA    ALA  124 - QD2   LEU  115  12.71 +/- 1.13   1.386% *  0.0649% (0.81  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - QD2   LEU  115  18.70 +/- 2.86   0.675% *  0.0674% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD2   LEU  115  19.04 +/- 2.59   0.551% *  0.0533% (0.66  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD2   LEU  115  16.92 +/- 1.61   0.587% *  0.0319% (0.40  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.54 +/- 1.49   0.362% *  0.0378% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.73 +/- 2.93   0.264% *  0.0240% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.956, support = 7.25, residual support = 221.4:
    * O T HB2   LEU  115 - QD2   LEU  115   3.04 +/- 0.32  63.461% * 90.2820% (0.97  10.0 10.00   7.34 226.06) =  97.819%  kept
          QB    GLU- 114 - QD2   LEU  115   5.67 +/- 0.72  11.417% *  6.9959% (0.30   1.0  1.00   5.02  21.60) =   1.364%  kept
          HG3   PRO   58 - QD2   LEU  115   6.35 +/- 1.87  19.017% *  2.5028% (0.96   1.0  1.00   0.56   0.02) =   0.813%  kept
          HB2   LEU   67 - QD2   LEU  115  13.02 +/- 1.99   1.457% *  0.0723% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD2   LEU  115   9.98 +/- 1.67   2.410% *  0.0251% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD2   LEU  115  15.36 +/- 3.19   0.959% *  0.0405% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD2   LEU  115  15.13 +/- 1.85   0.601% *  0.0475% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  16.14 +/- 2.38   0.678% *  0.0339% (0.36   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 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.733, support = 7.13, residual support = 225.5:
    * O T HG    LEU  115 - QD2   LEU  115   2.11 +/- 0.02  56.473% * 69.7276% (0.84  10.0 10.00   7.07 226.06) =  80.394%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.48 +/- 0.37  38.251% * 24.8104% (0.30  10.0 10.00   7.42 226.06) =  19.375%  kept
          QB    ALA  120 - QD2   LEU  115   6.41 +/- 0.83   2.584% *  4.2676% (0.84   1.0  1.00   1.22   0.02) =   0.225%  kept
        T HB3   LEU   40 - QD2   LEU  115  15.51 +/- 2.10   0.226% *  0.7967% (0.96   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - QD2   LEU  115  14.14 +/- 1.74   0.240% *  0.2481% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  115   8.31 +/- 0.73   1.034% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  13.56 +/- 2.42   0.354% *  0.0330% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  14.29 +/- 1.76   0.223% *  0.0488% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  12.50 +/- 1.50   0.343% *  0.0223% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  15.88 +/- 3.27   0.272% *  0.0274% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.34, residual support = 226.1:
    * O T QD1   LEU  115 - QD2   LEU  115   2.06 +/- 0.05  98.939% * 99.9055% (0.97  10.0 10.00   7.34 226.06) =  99.999%  kept
          QG1   VAL   75 - QD2   LEU  115  10.25 +/- 1.46   1.061% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 113.2:
    * O T HB2   GLN  116 - HA    GLN  116   2.87 +/- 0.14  82.934% * 98.6426% (1.00  10.0 10.00   5.29 113.21) =  99.986%  kept
          HB2   PRO   58 - HA    GLN  116   8.20 +/- 2.44  15.608% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.011%
        T HB2   GLU- 100 - HA    GLN  116  24.66 +/- 2.92   0.150% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLN  116  14.26 +/- 2.65   0.884% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   32 - HA    GLN  116  25.54 +/- 3.95   0.155% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  20.70 +/- 2.13   0.269% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 4.91, residual support = 113.2:
    * O T HG2   GLN  116 - HA    GLN  116   2.64 +/- 0.57  96.698% * 99.8732% (1.00  10.0 10.00   4.91 113.21) =  99.997%  kept
          HB3   PHE   95 - HA    GLN  116  10.02 +/- 1.61   3.161% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  25 - HA    GLN  116  28.27 +/- 4.64   0.141% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 113.2:
    * O T HA    GLN  116 - HB2   GLN  116   2.87 +/- 0.14  98.267% * 98.1197% (1.00  10.0 10.00   5.29 113.21) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLN  116  29.36 +/- 4.66   0.134% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB2   GLN  116  28.95 +/- 4.03   0.120% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLN  116  21.19 +/- 2.86   0.284% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  22.17 +/- 2.28   0.241% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  19.41 +/- 3.70   0.514% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  27.16 +/- 3.00   0.152% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  27.68 +/- 3.61   0.131% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  25.56 +/- 2.98   0.157% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1486 (2.37, 2.37, 29.51 ppm):
    1 diagonal assignment:
    *     HB2   GLN  116 - HB2   GLN  116  (1.00)  kept
 
    Peak 1487 (2.54, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 113.2:
    * O T HG2   GLN  116 - HB2   GLN  116   2.66 +/- 0.20  98.378% * 99.8732% (1.00  10.0 10.00   5.46 113.21) =  99.998%  kept
          HB3   PHE   95 - HB2   GLN  116  11.35 +/- 1.40   1.514% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  25 - HB2   GLN  116  30.10 +/- 4.56   0.108% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 113.2:
    * O T HA    GLN  116 - HG2   GLN  116   2.64 +/- 0.57  98.199% * 99.5202% (1.00  10.0 10.00   4.91 113.21) =  99.999%  kept
          HA    VAL   70 - HG2   GLN  116  20.69 +/- 2.72   0.312% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  21.34 +/- 2.58   0.261% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  28.89 +/- 4.54   0.176% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  28.42 +/- 4.19   0.155% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  19.14 +/- 3.92   0.446% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  27.19 +/- 3.32   0.161% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  27.18 +/- 3.14   0.120% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  24.70 +/- 3.01   0.170% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 113.2:
    * O T HB2   GLN  116 - HG2   GLN  116   2.66 +/- 0.20  92.110% * 99.6852% (1.00  10.0 10.00   5.46 113.21) =  99.995%  kept
          HB2   PRO   58 - HG2   GLN  116   9.18 +/- 2.62   6.898% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PHE   97 - HG2   GLN  116  15.97 +/- 2.35   0.543% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG2   GLN  116  26.30 +/- 2.80   0.111% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  21.51 +/- 2.73   0.226% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  26.99 +/- 3.90   0.111% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 1.27, residual support = 15.3:
    * O T QB    SER  117 - HA    SER  117   2.41 +/- 0.10  86.953% * 93.1070% (1.00  10.0 10.00   1.27  15.39) =  99.621%  kept
          HA    ALA  120 - HA    SER  117   5.66 +/- 0.38   7.076% *  2.8708% (0.41   1.0  1.00   1.50   5.15) =   0.250%  kept
          HA    LYS+ 121 - HA    SER  117   7.31 +/- 1.07   4.348% *  2.2992% (0.84   1.0  1.00   0.59   0.02) =   0.123%  kept
        T QB    SER   48 - HA    SER  117  20.89 +/- 3.74   0.413% *  0.6023% (0.65   1.0 10.00   0.02   0.02) =   0.003%
        T HA2   GLY   51 - HA    SER  117  20.60 +/- 2.44   0.163% *  0.8350% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HA    SER  117  13.76 +/- 1.56   0.523% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  23.33 +/- 2.78   0.148% *  0.1437% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.44 +/- 1.02   0.294% *  0.0712% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  26.46 +/- 3.62   0.081% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.41 +/- 0.10  89.864% * 99.1287% (1.00  10.0 10.00   1.27  15.39) =  99.995%  kept
        T HA1   GLY   51 - QB    SER   48   8.45 +/- 1.01   2.852% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER  117 - QB    SER   48  20.89 +/- 3.74   0.426% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER  117  18.01 +/- 2.14   0.251% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  14.25 +/- 1.04   0.468% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.52 +/- 3.60   2.494% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  23.33 +/- 2.78   0.153% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.58 +/- 1.15   0.530% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  15.96 +/- 4.14   1.281% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  19.00 +/- 4.81   0.730% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  24.63 +/- 3.20   0.098% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  19.62 +/- 3.25   0.213% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  19.64 +/- 5.28   0.282% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  21.12 +/- 2.82   0.180% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.73 +/- 2.53   0.176% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.73, residual support = 267.3:
    * O T HB    ILE  119 - HA    ILE  119   3.00 +/- 0.04  90.040% * 99.2403% (0.87  10.0 10.00   6.73 267.37) =  99.992%  kept
          HB2   GLN   30 - HA    ILE  119  19.49 +/- 4.98   1.933% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    ILE  119  19.86 +/- 4.89   1.547% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  108 - HA    ILE  119  14.19 +/- 2.78   1.117% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    ILE  119  17.81 +/- 4.25   0.823% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    ILE  119  13.67 +/- 1.48   1.072% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    ILE  119  15.73 +/- 1.76   0.752% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    ILE  119  12.90 +/- 2.48   1.436% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    ILE  119  22.23 +/- 4.82   0.305% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  20.44 +/- 3.26   0.379% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  21.37 +/- 3.63   0.364% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  25.60 +/- 4.89   0.232% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 267.4:
    * O T QG2   ILE  119 - HA    ILE  119   2.45 +/- 0.15  92.306% * 99.7168% (1.00  10.0 10.00   6.94 267.37) =  99.997%  kept
          QD1   LEU   67 - HA    ILE  119  11.98 +/- 3.20   2.879% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HA    ILE  119  14.92 +/- 3.23   0.594% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  119  15.60 +/- 2.71   0.528% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119  12.41 +/- 4.20   2.179% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  12.28 +/- 3.54   1.146% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  17.66 +/- 3.48   0.367% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 7.22, residual support = 267.4:
    * O T HG12  ILE  119 - HA    ILE  119   2.64 +/- 0.21  91.424% * 99.4466% (1.00  10.0 10.00   7.22 267.37) =  99.996%  kept
          HB2   ASP- 105 - HA    ILE  119  10.08 +/- 4.95   4.325% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    ILE  119  12.38 +/- 2.50   1.317% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    ILE  119  14.67 +/- 3.15   0.921% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    ILE  119  18.51 +/- 2.13   0.311% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.22 +/- 2.38   0.349% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  23.77 +/- 5.10   0.259% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  21.33 +/- 4.33   0.294% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  21.03 +/- 3.34   0.228% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  19.38 +/- 3.18   0.483% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  28.65 +/- 4.19   0.089% *  0.0153% (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 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.992, support = 6.86, residual support = 264.6:
    * O T HG13  ILE  119 - HA    ILE  119   3.01 +/- 0.45  63.449% * 94.0059% (1.00  10.0 10.00   6.90 267.37) =  98.938%  kept
          HG2   LYS+ 121 - HA    ILE  119   6.81 +/- 0.68  10.521% *  4.9978% (0.31   1.0  1.00   3.45   8.05) =   0.872%  kept
          QG1   VAL  107 - HA    ILE  119   6.65 +/- 2.89  15.146% *  0.7354% (0.15   1.0  1.00   1.01   0.02) =   0.185%  kept
          QG2   VAL  107 - HA    ILE  119   7.72 +/- 2.88   7.137% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HA    ILE  119  10.93 +/- 1.56   1.890% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HA    ILE  119  20.23 +/- 5.26   0.527% *  0.0938% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    ILE  119  16.74 +/- 3.62   0.664% *  0.0646% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    ILE  119  19.45 +/- 3.99   0.666% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 267.3:
    *   T QD1   ILE  119 - HA    ILE  119   3.44 +/- 0.64  90.486% * 99.2846% (0.97 10.00   6.14 267.37) =  99.984%  kept
        T HB    VAL   75 - HA    ILE  119  15.04 +/- 2.19   1.468% *  0.5824% (0.57 10.00   0.02   0.02) =   0.010%
          HB2   LEU  104 - HA    ILE  119  13.08 +/- 5.53   4.376% *  0.0747% (0.73  1.00   0.02   0.02) =   0.004%
          QG2   VAL  108 - HA    ILE  119  11.78 +/- 2.52   3.670% *  0.0582% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 3.33 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 6.67, residual support = 241.4:
    * O T HA    ILE  119 - HB    ILE  119   3.00 +/- 0.04  85.153% * 50.8167% (0.87  10.0 10.00   6.73 267.37) =  87.457%  kept
        T HA    THR  118 - HB    ILE  119   5.67 +/- 0.11  12.654% * 49.0416% (0.84   1.0 10.00   6.22  59.97) =  12.542%  kept
          HA2   GLY  109 - HB    ILE  119  14.09 +/- 2.34   1.142% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    ILE  119  20.55 +/- 2.40   0.329% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  20.83 +/- 1.75   0.277% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  18.14 +/- 2.18   0.445% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 267.4:
    * O T QG2   ILE  119 - HB    ILE  119   2.10 +/- 0.01  97.011% * 99.7168% (0.87  10.0 10.00   6.42 267.37) =  99.999%  kept
          QD1   ILE  103 - HB    ILE  119  16.37 +/- 2.47   0.250% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  17.11 +/- 2.79   0.252% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  14.19 +/- 3.96   1.165% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  119  13.41 +/- 2.93   0.703% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  13.73 +/- 2.75   0.440% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  18.84 +/- 3.24   0.179% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 6.34, residual support = 267.4:
    * O T HG12  ILE  119 - HB    ILE  119   2.66 +/- 0.17  94.889% * 99.4466% (0.87  10.0 10.00   6.34 267.37) =  99.997%  kept
          HB2   ASP-  44 - HB    ILE  119  13.68 +/- 2.20   0.881% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB    ILE  119  11.60 +/- 4.23   1.813% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB    ILE  119  16.55 +/- 2.81   0.543% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.88 +/- 2.87   0.480% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  18.87 +/- 2.10   0.298% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  25.64 +/- 4.98   0.201% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  22.89 +/- 4.03   0.219% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  22.60 +/- 3.16   0.183% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  20.41 +/- 2.87   0.415% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  30.02 +/- 4.06   0.078% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.863, support = 6.02, residual support = 265.7:
    * O T HG13  ILE  119 - HB    ILE  119   2.74 +/- 0.34  76.184% * 95.2381% (0.87  10.0 10.00   6.06 267.37) =  99.368%  kept
        T QG1   VAL  107 - HB    ILE  119   6.90 +/- 2.63  10.362% *  4.3359% (0.13   1.0 10.00   0.59   0.02) =   0.615%  kept
        T QG2   VAL  107 - HB    ILE  119   8.01 +/- 2.66   5.932% *  0.1469% (0.13   1.0 10.00   0.02   0.02) =   0.012%
          HD3   LYS+ 112 - HB    ILE  119   9.32 +/- 1.63   3.588% *  0.0501% (0.46   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HB    ILE  119   8.77 +/- 0.58   2.491% *  0.0294% (0.27   1.0  1.00   0.02   8.05) =   0.001%
          QB    ALA   20 - HB    ILE  119  17.88 +/- 3.63   0.673% *  0.0654% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    ILE  119  22.33 +/- 4.94   0.413% *  0.0950% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HB    ILE  119  20.61 +/- 4.03   0.355% *  0.0392% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.57, residual support = 267.3:
    * O T QD1   ILE  119 - HB    ILE  119   2.48 +/- 0.40  97.292% * 99.2846% (0.84  10.0 10.00   5.57 267.37) =  99.991%  kept
        T QG2   VAL  108 - HB    ILE  119  12.20 +/- 2.08   1.328% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.008%
          HB2   LEU  104 - HB    ILE  119  15.10 +/- 4.69   0.894% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB    ILE  119  16.42 +/- 1.94   0.486% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.92, residual support = 263.2:
    * O T HA    ILE  119 - QG2   ILE  119   2.45 +/- 0.15  91.723% * 77.2050% (1.00  10.0 10.00   6.94 267.37) =  97.991%  kept
          HA    THR  118 - QG2   ILE  119   6.05 +/- 0.08   6.427% * 22.5796% (0.97   1.0  1.00   6.06  59.97) =   2.008%  kept
          HA2   GLY  109 - QG2   ILE  119  13.37 +/- 1.98   0.744% *  0.0561% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   ILE  119  17.35 +/- 1.97   0.293% *  0.0765% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  17.89 +/- 1.64   0.273% *  0.0692% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  14.78 +/- 2.16   0.540% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 267.4:
    * O T HB    ILE  119 - QG2   ILE  119   2.10 +/- 0.01  93.791% * 99.2403% (0.87  10.0 10.00   6.42 267.37) =  99.995%  kept
          HG3   GLN   30 - QG2   ILE  119  17.18 +/- 4.51   1.400% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QG2   ILE  119  17.03 +/- 4.39   1.172% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QG2   ILE  119  14.94 +/- 3.60   0.509% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QG2   ILE  119  12.43 +/- 1.84   0.590% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  11.80 +/- 1.20   0.609% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  13.60 +/- 1.93   0.409% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  11.37 +/- 2.06   0.763% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  20.19 +/- 3.61   0.139% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  17.08 +/- 2.77   0.234% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  17.92 +/- 3.16   0.228% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  21.90 +/- 4.73   0.157% *  0.0285% (0.25   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 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 = 267.3:
    * O T HG12  ILE  119 - QG2   ILE  119   3.10 +/- 0.23  85.085% * 99.4466% (1.00  10.0 10.00   6.60 267.37) =  99.991%  kept
          HB2   ASP-  44 - QG2   ILE  119  11.13 +/- 1.91   2.977% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - QG2   ILE  119  12.97 +/- 2.64   2.478% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - QG2   ILE  119  10.38 +/- 3.57   4.023% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QG2   ILE  119  20.50 +/- 4.69   0.848% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QG2   ILE  119  15.73 +/- 2.28   0.794% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QG2   ILE  119  16.58 +/- 1.44   0.629% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   ILE  119  17.97 +/- 3.51   0.751% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE  119  17.67 +/- 2.86   0.650% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  16.78 +/- 2.91   1.508% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  23.90 +/- 3.50   0.257% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.33, residual support = 267.3:
    * O T HG13  ILE  119 - QG2   ILE  119   2.53 +/- 0.33  78.910% * 99.6771% (1.00  10.0 10.00   6.33 267.37) =  99.992%  kept
          HD3   LYS+ 112 - QG2   ILE  119   8.58 +/- 1.53   3.149% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG2   ILE  119   7.43 +/- 0.50   3.929% *  0.0308% (0.31   1.0  1.00   0.02   8.05) =   0.002%
          QG1   VAL  107 - QG2   ILE  119   6.93 +/- 2.15   7.011% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG2   ILE  119  14.06 +/- 3.36   1.208% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QG2   ILE  119   7.65 +/- 2.19   4.012% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG2   ILE  119  18.04 +/- 4.30   0.523% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   ILE  119  16.75 +/- 3.85   1.258% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.99 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 = 5.85, residual support = 267.4:
    *   T QD1   ILE  119 - QG2   ILE  119   2.04 +/- 0.21  97.988% * 99.8078% (0.97 10.00   5.85 267.37) =  99.999%  kept
          HB2   LEU  104 - QG2   ILE  119  12.77 +/- 4.08   0.790% *  0.0751% (0.73  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QG2   ILE  119  11.29 +/- 1.79   0.745% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  13.31 +/- 1.82   0.477% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 7.13, residual support = 244.7:
    * O T HA    ILE  119 - HG12  ILE  119   2.64 +/- 0.21  86.551% * 50.8167% (1.00  10.0 10.00   7.22 267.37) =  89.075%  kept
        T HA    THR  118 - HG12  ILE  119   5.40 +/- 0.25  10.998% * 49.0416% (0.97   1.0 10.00   6.36  59.97) =  10.923%  kept
          HA2   GLY  109 - HG12  ILE  119  12.84 +/- 2.52   1.480% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG12  ILE  119  19.12 +/- 2.01   0.274% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  18.78 +/- 1.96   0.266% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  16.14 +/- 2.07   0.431% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.34, residual support = 267.3:
    * O T HB    ILE  119 - HG12  ILE  119   2.66 +/- 0.17  92.855% * 98.6651% (0.87  10.0 10.00   6.34 267.37) =  99.990%  kept
        T HB2   ARG+  54 - HG12  ILE  119  14.03 +/- 1.28   0.775% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - HG12  ILE  119  11.58 +/- 1.41   1.284% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG12  ILE  119  13.12 +/- 2.47   0.898% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG12  ILE  119  20.21 +/- 4.22   0.536% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG12  ILE  119  11.00 +/- 2.51   1.909% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG12  ILE  119  19.86 +/- 4.14   0.587% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG12  ILE  119  18.45 +/- 3.42   0.384% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  23.29 +/- 3.61   0.160% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  20.84 +/- 2.78   0.244% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  22.05 +/- 2.94   0.201% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  25.54 +/- 4.43   0.167% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 267.4:
    * O T QG2   ILE  119 - HG12  ILE  119   3.10 +/- 0.23  89.263% * 99.7168% (1.00  10.0 10.00   6.60 267.37) =  99.996%  kept
          QD1   ILE  103 - HG12  ILE  119  15.07 +/- 2.50   1.102% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG12  ILE  119  15.94 +/- 2.37   0.873% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG12  ILE  119  12.18 +/- 2.66   3.107% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG12  ILE  119  12.56 +/- 2.75   1.972% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG12  ILE  119  13.05 +/- 3.36   2.959% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  119  17.08 +/- 2.89   0.723% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1518 (2.26, 2.26, 30.83 ppm):
    1 diagonal assignment:
    *     HG12  ILE  119 - HG12  ILE  119  (1.00)  kept
 
    Peak 1519 (1.12, 2.26, 30.83 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 6.74, residual support = 267.1:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  87.429% * 98.6711% (1.00  10.0 10.00   6.75 267.37) =  99.914%  kept
          QG1   VAL  107 - HG12  ILE  119   5.65 +/- 2.65   7.114% *  1.0245% (0.15   1.0  1.00   1.35   0.02) =   0.084%
          QG2   VAL  107 - HG12  ILE  119   6.47 +/- 2.69   3.301% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG12  ILE  119   8.70 +/- 1.53   0.968% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HG12  ILE  119   8.97 +/- 0.73   0.766% *  0.0305% (0.31   1.0  1.00   0.02   8.05) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.61 +/- 3.24   0.177% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  20.73 +/- 4.38   0.099% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  19.17 +/- 3.71   0.145% *  0.0406% (0.41   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 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.92, residual support = 267.4:
    * O T QD1   ILE  119 - HG12  ILE  119   2.14 +/- 0.01  98.066% * 99.8078% (0.97  10.0 10.00   5.92 267.37) =  99.999%  kept
          QG2   VAL  108 - HG12  ILE  119  10.91 +/- 2.20   0.949% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HG12  ILE  119  14.04 +/- 4.47   0.594% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  14.41 +/- 1.93   0.391% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.8, residual support = 243.0:
    * O T HA    ILE  119 - HG13  ILE  119   3.01 +/- 0.45  85.006% * 50.8167% (1.00  10.0 10.00   6.90 267.37) =  88.230%  kept
        T HA    THR  118 - HG13  ILE  119   6.42 +/- 0.56  11.749% * 49.0416% (0.97   1.0 10.00   6.06  59.97) =  11.768%  kept
          HA2   GLY  109 - HG13  ILE  119  13.66 +/- 2.25   1.662% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG13  ILE  119  18.92 +/- 2.11   0.442% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  19.24 +/- 1.76   0.424% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  16.22 +/- 1.96   0.717% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.06, residual support = 267.3:
    * O T HB    ILE  119 - HG13  ILE  119   2.74 +/- 0.34  90.936% * 99.2403% (0.87  10.0 10.00   6.06 267.37) =  99.993%  kept
          HG3   GLN   30 - HG13  ILE  119  20.07 +/- 4.48   1.135% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG13  ILE  119  19.78 +/- 4.37   1.247% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG13  ILE  119  13.98 +/- 2.00   1.003% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG13  ILE  119  12.15 +/- 1.35   1.202% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HG13  ILE  119  13.60 +/- 1.62   0.993% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG13  ILE  119  11.23 +/- 2.55   1.859% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG13  ILE  119  18.08 +/- 3.46   0.535% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HG13  ILE  119  23.57 +/- 3.58   0.214% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  20.49 +/- 3.00   0.359% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  21.76 +/- 3.19   0.301% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  25.45 +/- 4.90   0.216% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.33, residual support = 267.4:
    * O T QG2   ILE  119 - HG13  ILE  119   2.53 +/- 0.33  94.557% * 99.7168% (1.00  10.0 10.00   6.33 267.37) =  99.998%  kept
          QD2   LEU   71 - HG13  ILE  119  15.82 +/- 2.59   0.514% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  15.58 +/- 2.40   0.466% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  13.09 +/- 3.53   1.803% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG13  ILE  119  11.94 +/- 2.50   1.436% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  13.11 +/- 2.47   0.758% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  16.94 +/- 2.91   0.467% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.75, residual support = 267.4:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  97.969% * 99.4466% (1.00  10.0 10.00   6.75 267.37) =  99.999%  kept
          HB2   ASP-  44 - HG13  ILE  119  11.63 +/- 2.12   0.497% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119  11.23 +/- 3.67   0.642% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  14.80 +/- 2.77   0.254% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.48 +/- 2.76   0.166% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  17.73 +/- 1.76   0.103% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  24.03 +/- 4.80   0.077% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  21.64 +/- 3.88   0.083% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  21.44 +/- 2.83   0.065% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  18.53 +/- 2.39   0.115% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  28.71 +/- 3.91   0.029% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.63, residual support = 267.4:
    * O T QD1   ILE  119 - HG13  ILE  119   2.14 +/- 0.01  98.266% * 99.8078% (0.97  10.0 10.00   5.63 267.37) =  99.999%  kept
          QG2   VAL  108 - HG13  ILE  119  11.58 +/- 1.87   0.791% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  14.50 +/- 4.23   0.534% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  14.44 +/- 2.08   0.409% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.11, residual support = 256.6:
    *   T HA    ILE  119 - QD1   ILE  119   3.44 +/- 0.64  77.224% * 78.3072% (0.97 10.00   6.14 267.37) =  94.789%  kept
          HA    THR  118 - QD1   ILE  119   6.21 +/- 0.17  15.542% * 21.3510% (0.93  1.00   5.65  59.97) =   5.201%  kept
        T HA    VAL   75 - QD1   ILE  119  13.42 +/- 1.93   1.600% *  0.1371% (0.17 10.00   0.02   0.02) =   0.003%
          HA2   GLY  109 - QD1   ILE  119  11.45 +/- 1.83   3.333% *  0.0569% (0.70  1.00   0.02   0.02) =   0.003%
          HB2   TRP   49 - QD1   ILE  119  15.31 +/- 1.81   1.410% *  0.0776% (0.96  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD1   ILE  119  16.10 +/- 1.43   0.892% *  0.0702% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.57, residual support = 267.3:
    * O T HB    ILE  119 - QD1   ILE  119   2.48 +/- 0.40  88.871% * 98.5836% (0.84  10.0 10.00   5.57 267.37) =  99.984%  kept
        T HB    VAL  108 - QD1   ILE  119  11.99 +/- 1.77   1.073% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.009%
          HB2   PRO   93 - QD1   ILE  119   9.09 +/- 2.03   3.443% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   ILE  119   9.78 +/- 1.24   1.712% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QD1   ILE  119  10.74 +/- 1.58   1.423% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD1   ILE  119  15.24 +/- 2.87   0.887% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QD1   ILE  119  16.92 +/- 3.76   0.626% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QD1   ILE  119  16.75 +/- 3.56   0.617% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD1   ILE  119  20.44 +/- 2.76   0.288% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  17.10 +/- 2.15   0.392% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  18.27 +/- 2.45   0.337% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  21.24 +/- 3.96   0.331% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 267.4:
    *   T QG2   ILE  119 - QD1   ILE  119   2.04 +/- 0.21  94.318% * 99.7168% (0.97 10.00   5.85 267.37) =  99.998%  kept
          QD2   LEU   71 - QD1   ILE  119  13.31 +/- 2.25   0.575% *  0.0865% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QD1   ILE  119  13.49 +/- 1.81   0.436% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  11.37 +/- 2.91   2.221% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD1   ILE  119  10.14 +/- 2.31   1.313% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.48 +/- 1.89   0.739% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  13.94 +/- 2.65   0.398% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.92, residual support = 267.4:
    * O T HG12  ILE  119 - QD1   ILE  119   2.14 +/- 0.01  93.872% * 99.4466% (0.97  10.0 10.00   5.92 267.37) =  99.996%  kept
          HB2   ASP-  44 - QD1   ILE  119   9.65 +/- 1.90   1.969% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - QD1   ILE  119  12.55 +/- 2.20   0.792% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QD1   ILE  119  10.10 +/- 2.87   1.333% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  13.39 +/- 2.26   0.524% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  14.78 +/- 1.49   0.314% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  20.23 +/- 3.92   0.187% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  18.12 +/- 2.93   0.206% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  18.03 +/- 2.26   0.183% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  15.24 +/- 2.55   0.532% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  24.03 +/- 3.19   0.088% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.63, residual support = 267.3:
    * O T HG13  ILE  119 - QD1   ILE  119   2.14 +/- 0.01  75.402% * 99.6771% (0.97  10.0 10.00   5.63 267.37) =  99.992%  kept
          HD3   LYS+ 112 - QD1   ILE  119   6.53 +/- 1.56   4.332% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL  107 - QD1   ILE  119   6.09 +/- 2.10   9.006% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  107 - QD1   ILE  119   5.69 +/- 1.92   8.322% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QD1   ILE  119   8.98 +/- 0.94   1.422% *  0.0308% (0.30   1.0  1.00   0.02   8.05) =   0.001%
          QB    ALA   20 - QD1   ILE  119  13.51 +/- 2.84   0.598% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QD1   ILE  119  15.95 +/- 3.34   0.697% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  17.80 +/- 3.71   0.220% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.941, support = 2.33, residual support = 13.4:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  92.648% * 85.5096% (0.95  10.0 10.00   2.32  13.44) =  99.381%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.72 +/- 0.71   3.523% * 13.9474% (0.15   1.0 10.00   4.42   2.83) =   0.616%  kept
          HG    LEU  115 - HA    ALA  120  10.44 +/- 0.84   0.855% *  0.0855% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    ALA  120  19.27 +/- 6.42   0.554% *  0.0902% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    ALA  120  17.83 +/- 3.21   0.235% *  0.1789% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    ALA  120  10.25 +/- 1.13   0.981% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  18.06 +/- 6.00   0.480% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  18.15 +/- 4.33   0.319% *  0.0476% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  21.05 +/- 4.87   0.281% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  21.28 +/- 3.67   0.125% *  0.0440% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.938, support = 2.37, residual support = 13.1:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  76.877% * 83.9244% (0.95  10.0 10.00   2.32  13.44) =  97.046%  kept
          HA    LYS+ 121 - QB    ALA  120   3.85 +/- 0.04  13.193% * 13.4396% (0.72   1.0  1.00   4.19   2.83) =   2.667%  kept
          QB    SER  117 - QB    ALA  120   4.52 +/- 0.31   8.599% *  2.2098% (0.39   1.0  1.00   1.28   5.15) =   0.286%  kept
          QB    SER   48 - QB    ALA  120  18.78 +/- 3.16   0.311% *  0.0775% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.44 +/- 0.88   0.210% *  0.0701% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA  120  16.02 +/- 2.26   0.226% *  0.0641% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  20.89 +/- 2.69   0.160% *  0.0701% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  21.05 +/- 3.94   0.115% *  0.0701% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  18.75 +/- 2.05   0.132% *  0.0576% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  17.34 +/- 2.13   0.175% *  0.0166% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.956, support = 8.05, residual support = 303.0:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.95 +/- 0.11  48.201% * 81.6680% (1.00  10.0 10.00   8.30 313.76) =  94.839%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.70 +/- 0.53  27.533% *  5.1145% (0.06   1.0 10.00   4.75 159.04) =   3.393%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.89 +/- 0.78   6.789% * 10.6651% (0.31   1.0 10.00   0.85   2.31) =   1.744%  kept
        T QD    LYS+  65 - HA    LYS+ 121  16.52 +/- 2.66   0.480% *  0.8149% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  38 - HA    LYS+ 121  21.72 +/- 6.30   0.263% *  0.7324% (0.90   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 102 - HA    LYS+ 121  17.78 +/- 6.23   0.416% *  0.4297% (0.53   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   83 - HA    LYS+ 121  24.26 +/- 5.36   0.986% *  0.0801% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HA    LYS+ 121  19.28 +/- 1.76   0.191% *  0.2271% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+  65   9.01 +/- 4.07  10.816% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+ 121  14.10 +/- 2.47   0.871% *  0.0252% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  16.71 +/- 2.62   0.347% *  0.0513% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  17.83 +/- 2.45   0.288% *  0.0460% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.65 +/- 3.75   0.162% *  0.0495% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  17.33 +/- 3.67   0.370% *  0.0158% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.17 +/- 2.90   0.200% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.55 +/- 2.68   0.147% *  0.0270% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  18.27 +/- 3.31   0.374% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.57 +/- 2.11   1.148% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.60 +/- 3.07   0.118% *  0.0143% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  17.28 +/- 2.57   0.300% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.34, residual support = 313.7:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.64 +/- 0.51  84.188% * 99.6412% (1.00  10.0 10.00   7.34 313.76) =  99.994%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.85 +/- 3.00   2.286% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HA    LYS+ 121   8.89 +/- 0.31   2.674% *  0.0308% (0.31   1.0  1.00   0.02   8.05) =   0.001%
          HG13  ILE  103 - HA    LYS+ 121  17.02 +/- 5.40   0.794% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  21.92 +/- 7.25   1.357% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  19.99 +/- 4.31   0.387% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  18.18 +/- 2.74   0.467% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  10.29 +/- 2.63   4.678% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.57 +/- 1.67   0.813% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  19.21 +/- 2.57   0.722% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  14.08 +/- 1.77   0.944% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  16.64 +/- 2.88   0.690% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.72, residual support = 313.2:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.26 +/- 0.42  72.931% * 98.0533% (1.00  10.0 10.00   6.73 313.76) =  99.820%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.14 +/- 0.50   8.329% *  1.4403% (0.49   1.0  1.00   0.60   2.31) =   0.167%  kept
        T QD2   LEU   73 - HA    LYS+ 121  16.33 +/- 3.86   1.699% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.008%
        T QD2   LEU   73 - HA    LYS+  65   8.66 +/- 1.39   7.445% *  0.0210% (0.02   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    LYS+ 121  12.36 +/- 1.43   2.019% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - HA    LYS+  65  18.10 +/- 2.77   0.564% *  0.0615% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  21.83 +/- 6.02   1.088% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  13.55 +/- 3.16   2.436% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  11.99 +/- 1.37   1.856% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  15.30 +/- 2.81   1.633% *  0.0014% (0.01   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 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.64, support = 7.77, residual support = 301.5:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.87 +/- 0.62  14.030% * 69.2258% (1.00   1.0 10.00   7.76 313.76) =  50.641%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.53 +/- 0.23  37.567% * 21.3664% (0.31  10.0 10.00   8.20 313.76) =  41.851%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.81 +/- 0.62  31.341% *  4.3065% (0.06  10.0 10.00   5.39 159.04) =   7.037%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.40 +/- 0.66   2.455% *  3.4792% (0.05   1.0 10.00   5.47  29.94) =   0.445%  kept
        T QD    LYS+  66 - HA    LYS+ 121  15.45 +/- 5.04   0.478% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.014%
        T HG2   LYS+  65 - HA    LYS+ 121  18.90 +/- 3.25   0.158% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - HA    LYS+  65   9.35 +/- 3.64   7.510% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+  65   9.62 +/- 4.25   2.388% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  13.99 +/- 7.24   0.787% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  22.30 +/- 3.91   0.094% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+ 121  20.91 +/- 4.80   0.140% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  12.73 +/- 3.25   1.674% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.81 +/- 2.23   0.149% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.71 +/- 4.03   0.107% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  17.89 +/- 6.74   0.292% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.86 +/- 1.61   0.142% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.67 +/- 2.99   0.159% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.21 +/- 3.09   0.186% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.52 +/- 1.43   0.262% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.50 +/- 2.90   0.080% *  0.0010% (0.01   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 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 6.55, residual support = 258.7:
    *     QE    LYS+ 121 - HA    LYS+ 121   4.01 +/- 0.83  55.265% * 57.1948% (1.00   6.70 313.76) =  78.755%  kept
          HB3   HIS  122 - HA    LYS+ 121   6.04 +/- 0.31  20.030% * 42.5516% (0.84   5.97  54.38) =  21.236%  kept
          HG2   GLN   30 - HA    LYS+ 121  23.07 +/- 5.99   0.995% *  0.1172% (0.69   0.02   0.02) =   0.003%
          HG2   GLN   30 - HA    LYS+  65  13.95 +/- 3.86  13.885% *  0.0074% (0.04   0.02   0.02) =   0.003%
          HB3   ASP-  78 - HA    LYS+ 121  26.23 +/- 4.79   2.078% *  0.0263% (0.15   0.02   0.02) =   0.001%
          HB3   ASN   28 - HA    LYS+ 121  25.85 +/- 6.30   0.657% *  0.0765% (0.45   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    LYS+  65  13.74 +/- 3.33   2.340% *  0.0089% (0.05   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HA    LYS+  65  15.72 +/- 2.18   1.372% *  0.0107% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  16.82 +/- 4.42   2.741% *  0.0017% (0.01   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  19.05 +/- 3.90   0.638% *  0.0048% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 304.6:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.95 +/- 0.11  76.512% * 81.8327% (1.00  10.0 10.00   8.30 313.76) =  97.040%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.69 +/- 0.19  10.868% * 17.4901% (0.76   1.0  1.00   5.59   2.83) =   2.946%  kept
          QB    SER  117 - HB2   LYS+ 121   6.80 +/- 0.87   7.265% *  0.0684% (0.84   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+  65 - HB2   LYS+ 121  16.71 +/- 2.62   0.555% *  0.2791% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   48 - HB2   LYS+ 121  20.89 +/- 3.98   1.640% *  0.0774% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB2   LYS+ 121  15.84 +/- 2.32   0.570% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB2   LYS+ 121  12.11 +/- 1.69   1.526% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LYS+ 121  21.90 +/- 2.36   0.252% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  22.35 +/- 4.04   0.568% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  22.89 +/- 4.13   0.244% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.75, residual support = 313.7:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.88 +/- 0.19  84.289% * 99.7211% (1.00  10.0 10.00   7.75 313.76) =  99.989%  kept
          QG2   VAL  107 - HB2   LYS+ 121   8.76 +/- 3.06   6.865% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.008%
          HG13  ILE  119 - HB2   LYS+ 121   7.19 +/- 0.55   6.083% *  0.0308% (0.31   1.0  1.00   0.02   8.05) =   0.002%
          QB    ALA   20 - HB2   LYS+ 121  18.53 +/- 3.84   0.682% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB2   LYS+ 121  15.09 +/- 5.17   0.961% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   LYS+ 121  20.29 +/- 6.33   1.121% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 7.1, residual support = 309.6:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.77 +/- 0.17  89.457% * 80.0543% (1.00  10.0 10.00   7.18 313.76) =  98.656%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.69 +/- 0.73   4.936% * 19.6063% (0.49   1.0 10.00   1.01   2.31) =   1.333%  kept
        T QD2   LEU   73 - HB2   LYS+ 121  14.56 +/- 3.68   2.464% *  0.2731% (0.34   1.0 10.00   0.02   0.02) =   0.009%
          QD1   ILE   56 - HB2   LYS+ 121  10.65 +/- 1.46   2.510% *  0.0486% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HB2   LYS+ 121  20.09 +/- 5.20   0.633% *  0.0178% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.749, support = 8.46, residual support = 313.7:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.26 +/- 0.43  34.498% * 74.7463% (1.00  10.0 10.00   8.33 313.76) =  63.653%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  63.808% * 23.0703% (0.31  10.0 10.00   8.71 313.76) =  36.338%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  14.25 +/- 4.57   0.336% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  65 - HB2   LYS+ 121  17.16 +/- 2.91   0.118% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.60 +/- 3.71   0.070% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  12.75 +/- 6.64   0.567% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  20.24 +/- 3.46   0.057% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  19.52 +/- 4.27   0.081% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  16.41 +/- 5.95   0.342% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  15.03 +/- 1.94   0.122% *  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 = 0.967, support = 7.01, residual support = 261.5:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.49 +/- 0.41  72.345% * 56.8606% (1.00   7.15 313.76) =  79.842%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.46 +/- 0.55  24.185% * 42.9344% (0.84   6.47  54.38) =  20.154%  kept
          HG2   GLN   30 - HB2   LYS+ 121  21.45 +/- 5.28   0.924% *  0.1092% (0.69   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HB2   LYS+ 121  23.98 +/- 4.30   2.069% *  0.0245% (0.15   0.02   0.02) =   0.001%
          HB3   ASN   28 - HB2   LYS+ 121  24.16 +/- 5.49   0.476% *  0.0713% (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 = 0.996, support = 7.3, residual support = 309.1:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.64 +/- 0.51  80.337% * 84.3287% (1.00  10.0 10.00   7.34 313.76) =  98.515%  kept
          HA    ALA  120 - HG2   LYS+ 121   6.95 +/- 0.37   6.758% * 14.9735% (0.76   1.0  1.00   4.65   2.83) =   1.471%  kept
          QB    SER  117 - HG2   LYS+ 121   8.35 +/- 1.47   9.426% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.010%
        T HA    LYS+  65 - HG2   LYS+ 121  18.18 +/- 2.74   0.436% *  0.2877% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HG2   LYS+ 121  17.65 +/- 3.12   0.645% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HG2   LYS+ 121  22.62 +/- 4.26   0.569% *  0.0798% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HG2   LYS+ 121  14.12 +/- 1.82   1.123% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  24.03 +/- 2.81   0.179% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  23.41 +/- 4.88   0.322% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  23.56 +/- 4.70   0.206% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.75, residual support = 313.7:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.88 +/- 0.19  87.197% * 99.4783% (1.00  10.0 10.00   7.75 313.76) =  99.992%  kept
          HB    VAL   83 - HG2   LYS+ 121  23.16 +/- 5.95   3.245% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU  123 - HG2   LYS+ 121   7.91 +/- 0.76   4.660% *  0.0307% (0.31   1.0  1.00   0.02   2.31) =   0.002%
          QD    LYS+  65 - HG2   LYS+ 121  16.42 +/- 2.66   0.820% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 121  16.32 +/- 6.89   1.118% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+ 121  14.33 +/- 2.73   1.528% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG2   LYS+ 121  20.83 +/- 6.12   0.453% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  21.10 +/- 3.99   0.316% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.12 +/- 3.30   0.347% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  19.70 +/- 2.51   0.316% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1551 (1.15, 1.15, 24.39 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 121 - HG2   LYS+ 121  (1.00)  kept
 
    Peak 1552 (0.80, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 313.7:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  97.920% * 99.3314% (1.00  10.0 10.00   6.31 313.76) =  99.997%  kept
        T QD2   LEU   73 - HG2   LYS+ 121  15.62 +/- 4.09   0.440% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   31 - HG2   LYS+ 121  20.77 +/- 6.18   0.267% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HG2   LYS+ 121   8.60 +/- 0.84   0.946% *  0.0483% (0.49   1.0  1.00   0.02   2.31) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.48 +/- 1.54   0.426% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.819, support = 7.33, residual support = 313.7:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.87 +/- 0.15  44.145% * 75.5250% (1.00  10.0 10.00   7.21 313.76) =  73.844%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.74 +/- 0.14  50.639% * 23.3106% (0.31  10.0 10.00   7.68 313.76) =  26.144%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  15.42 +/- 4.53   0.569% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU  104 - HG2   LYS+ 121  12.47 +/- 7.88   2.589% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 111 - HG2   LYS+ 121  17.23 +/- 2.35   0.238% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.80 +/- 4.09   0.141% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.69 +/- 2.98   0.250% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  20.28 +/- 4.81   0.242% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  16.85 +/- 6.93   1.012% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.07 +/- 4.35   0.176% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 6.27, residual support = 302.5:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.74 +/- 0.48  82.036% * 81.7083% (1.00  10.0   6.31 313.76) =  95.652%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.51 +/- 0.98  16.752% * 18.1863% (0.84   1.0   5.33  54.38) =   4.347%  kept
          HG2   GLN   30 - HG2   LYS+ 121  22.27 +/- 5.93   0.319% *  0.0561% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  24.75 +/- 6.50   0.394% *  0.0366% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  25.65 +/- 4.78   0.500% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.995, support = 6.68, residual support = 309.1:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.26 +/- 0.42  52.364% * 85.2312% (1.00  10.0 10.00   6.73 313.76) =  98.506%  kept
          HA    ALA  120 - HG3   LYS+ 121   7.57 +/- 0.41   4.443% * 13.0076% (0.76   1.0  1.00   3.99   2.83) =   1.276%  kept
          HA    PHE   60 - QD2   LEU   73   9.00 +/- 2.42  15.938% *  0.5106% (0.09   1.0  1.00   1.26   2.12) =   0.180%  kept
        T HA    LYS+  65 - QD2   LEU   73   8.66 +/- 1.39   5.476% *  0.0991% (0.12   1.0 10.00   0.02   0.02) =   0.012%
          QB    SER  117 - HG3   LYS+ 121   8.16 +/- 1.13   4.054% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+ 121 - QD2   LEU   73  16.33 +/- 3.86   0.930% *  0.2906% (0.34   1.0 10.00   0.02   0.02) =   0.006%
          QB    SER   48 - QD2   LEU   73  12.82 +/- 3.08   4.952% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HG3   LYS+ 121  18.10 +/- 2.77   0.408% *  0.2907% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   48 - HG3   LYS+ 121  22.33 +/- 4.33   1.236% *  0.0806% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - QD2   LEU   73  11.05 +/- 2.32   2.113% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 121  17.07 +/- 2.86   0.452% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+ 121  22.80 +/- 4.79   1.024% *  0.0350% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD2   LEU   73  11.83 +/- 3.09   2.196% *  0.0119% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HG3   LYS+ 121  23.93 +/- 2.98   0.267% *  0.0845% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  16.60 +/- 3.28   0.735% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.57 +/- 3.63   0.823% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  14.07 +/- 1.69   0.768% *  0.0237% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  15.69 +/- 2.58   0.725% *  0.0243% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.49 +/- 2.55   0.863% *  0.0119% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  23.59 +/- 4.46   0.232% *  0.0350% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.993, support = 7.15, residual support = 311.1:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.77 +/- 0.17  68.081% * 89.5764% (1.00  10.0 10.00   7.18 313.76) =  99.050%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.58 +/- 1.06   8.896% *  5.0366% (0.21   1.0  1.00   5.44  42.18) =   0.728%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.74 +/- 0.90   2.760% *  4.4978% (0.31   1.0 10.00   0.33   2.31) =   0.202%  kept
        T HB2   LYS+ 121 - QD2   LEU   73  14.56 +/- 3.68   1.886% *  0.3055% (0.34   1.0 10.00   0.02   0.02) =   0.009%
          HB    VAL   83 - HG3   LYS+ 121  22.51 +/- 5.97   3.468% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+  65 - QD2   LEU   73   9.44 +/- 1.55   2.611% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QD2   LEU   73  11.14 +/- 3.30   2.312% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG3   LYS+ 121  15.60 +/- 6.84   1.022% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG3   LYS+ 121  16.40 +/- 2.85   0.516% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU   73  11.78 +/- 1.61   1.249% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 121  20.52 +/- 5.77   0.391% *  0.0803% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+ 121  14.46 +/- 2.64   0.944% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  10.72 +/- 2.51   2.526% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  14.36 +/- 3.08   0.823% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  20.93 +/- 3.86   0.240% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.36 +/- 2.63   0.810% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.77 +/- 2.89   0.266% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.84 +/- 3.94   0.715% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  19.28 +/- 2.22   0.250% *  0.0249% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  20.46 +/- 3.29   0.233% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 313.7:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  90.213% * 98.9593% (1.00  10.0 10.00   6.31 313.76) =  99.993%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.39 +/- 1.81   1.780% *  0.0938% (0.09   1.0 10.00   0.02   1.82) =   0.002%
        T HG2   LYS+ 121 - QD2   LEU   73  15.62 +/- 4.09   0.406% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL  107 - HG3   LYS+ 121  10.08 +/- 3.19   1.061% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD2   LEU   73   6.33 +/- 1.64   3.265% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - HG3   LYS+ 121  20.39 +/- 6.89   0.281% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD2   LEU   73  10.86 +/- 1.96   0.737% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.70 +/- 0.42   0.543% *  0.0305% (0.31   1.0  1.00   0.02   8.05) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  14.61 +/- 6.13   0.309% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  19.55 +/- 4.08   0.148% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.93 +/- 2.92   0.543% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.34 +/- 3.18   0.714% *  0.0104% (0.11   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 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 = 0.756, support = 6.74, residual support = 309.9:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.87 +/- 0.10  28.743% * 67.7584% (1.00  10.0 10.00   6.63 313.76) =  64.840%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.39 +/- 0.22  48.489% * 20.9134% (0.31  10.0 10.00   7.01 313.76) =  33.761%  kept
          HB2   LYS+  74 - QD2   LEU   73   5.56 +/- 0.88   6.166% *  5.2978% (0.26   1.0  1.00   6.00  42.18) =   1.088%  kept
        T HD3   LYS+  74 - QD2   LEU   73   7.77 +/- 0.95   1.833% *  4.5726% (0.07   1.0 10.00   2.89  42.18) =   0.279%  kept
        T HD2   LYS+ 121 - QD2   LEU   73  14.62 +/- 3.97   1.503% *  0.2311% (0.34   1.0 10.00   0.02   0.02) =   0.012%
        T QD    LYS+  66 - HG3   LYS+ 121  15.42 +/- 4.66   0.431% *  0.5426% (0.80   1.0 10.00   0.02   0.02) =   0.008%
          QG2   THR   26 - QD2   LEU   73   6.25 +/- 1.65   4.914% *  0.0223% (0.33   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  66 - QD2   LEU   73  11.41 +/- 1.16   0.506% *  0.1850% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU  104 - HG3   LYS+ 121  11.79 +/- 7.63   1.870% *  0.0209% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD2   LEU   73  15.21 +/- 3.79   0.483% *  0.0713% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD2   LEU   73   9.68 +/- 1.52   0.989% *  0.0229% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HG3   LYS+ 121  18.67 +/- 3.06   0.201% *  0.0672% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  21.65 +/- 3.92   0.094% *  0.1341% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  16.45 +/- 6.62   0.898% *  0.0119% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  20.17 +/- 4.52   0.140% *  0.0654% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.77 +/- 1.78   1.594% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  20.86 +/- 4.19   0.122% *  0.0518% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  12.33 +/- 2.89   0.696% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  16.86 +/- 2.06   0.165% *  0.0151% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  18.12 +/- 3.25   0.163% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.995, support = 5.97, residual support = 306.7:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.62 +/- 0.57  62.519% * 82.0805% (1.00  10.0   6.00 313.76) =  97.331%  kept
          HB3   HIS  122 - HG3   LYS+ 121   7.12 +/- 0.97   7.635% * 17.2131% (0.84   1.0   5.02  54.38) =   2.493%  kept
          HG2   GLN   30 - QD2   LEU   73   6.00 +/- 2.02  16.936% *  0.5324% (0.23   1.0   0.55   5.34) =   0.171%  kept
          HB3   HIS  122 - QD2   LEU   73  13.12 +/- 4.17   5.096% *  0.0234% (0.28   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 121 - QD2   LEU   73  13.45 +/- 3.55   3.971% *  0.0280% (0.34   1.0   0.02   0.02) =   0.002%
          HB3   ASN   28 - QD2   LEU   73   9.33 +/- 1.62   2.038% *  0.0125% (0.15   1.0   0.02   0.85) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  22.09 +/- 5.52   0.412% *  0.0564% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  24.44 +/- 6.11   0.449% *  0.0368% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  25.31 +/- 4.63   0.278% *  0.0127% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  13.14 +/- 1.84   0.665% *  0.0043% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.961, support = 7.31, residual support = 271.3:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.87 +/- 0.62  31.082% * 54.9501% (1.00 10.00   7.76 313.76) =  86.277%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.72 +/- 0.71   6.005% * 41.9944% (0.76 10.00   4.42   2.83) =  12.739%  kept
        T HA    LYS+  65 - QD    LYS+  66   6.40 +/- 0.66   7.885% *  2.3308% (0.04 10.00   5.47  29.94) =   0.928%  kept
          QB    SER  117 - HD2   LYS+ 121   7.48 +/- 1.84   6.271% *  0.0459% (0.84  1.00   0.02   0.02) =   0.015%
        T HA    LYS+  65 - HD3   LYS+  74   9.62 +/- 4.25   7.860% *  0.0292% (0.05 10.00   0.02   0.02) =   0.012%
        T HA    LYS+  65 - HD2   LYS+ 121  16.81 +/- 2.23   0.506% *  0.1874% (0.34 10.00   0.02   0.02) =   0.005%
          QB    SER   48 - HD2   LYS+ 121  21.17 +/- 4.16   1.725% *  0.0520% (0.95  1.00   0.02   0.02) =   0.005%
        T HA    LYS+ 121 - QD    LYS+  66  15.45 +/- 5.04   1.120% *  0.0683% (0.12 10.00   0.02   0.02) =   0.004%
          QB    SER   48 - QD    LYS+  66  16.38 +/- 5.54  10.660% *  0.0065% (0.12  1.00   0.02   0.02) =   0.003%
          HB    THR   94 - HD2   LYS+ 121  16.05 +/- 2.73   0.575% *  0.0545% (0.99  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HD3   LYS+  74  17.59 +/- 4.49   3.388% *  0.0085% (0.15  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HD2   LYS+ 121  22.46 +/- 4.61   1.217% *  0.0226% (0.41  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD2   LYS+ 121  12.42 +/- 1.85   1.682% *  0.0153% (0.28  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+  74  12.90 +/- 4.00   2.346% *  0.0081% (0.15  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+  74  22.30 +/- 3.91   0.222% *  0.0857% (0.16 10.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD2   LYS+ 121  22.30 +/- 2.71   0.306% *  0.0545% (0.99  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    LYS+  66  17.94 +/- 4.50   1.938% *  0.0068% (0.12  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    LYS+  66  14.62 +/- 5.13   2.356% *  0.0052% (0.10  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+  74  13.15 +/- 3.07   1.141% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74  11.54 +/- 3.36   3.438% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  15.76 +/- 3.81   0.982% *  0.0057% (0.10  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  22.93 +/- 4.15   0.247% *  0.0226% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  13.94 +/- 5.06   1.949% *  0.0028% (0.05  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  16.13 +/- 2.91   0.784% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.60 +/- 1.32   2.397% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  16.66 +/- 4.96   0.615% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  16.66 +/- 2.69   0.518% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  20.07 +/- 2.14   0.248% *  0.0072% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  21.57 +/- 3.74   0.246% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  21.45 +/- 3.00   0.289% *  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 = 0.859, support = 7.56, residual support = 292.8:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.26 +/- 0.43  31.722% * 79.1506% (1.00  10.0 10.00   8.33 313.76) =  84.442%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  58.629% *  7.4880% (0.09  10.0  1.00   3.34 186.80) =  14.765%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.76 +/- 1.12   2.344% *  9.8204% (0.12   1.0 10.00   4.21  29.94) =   0.774%  kept
        T QD    LYS+  65 - HD3   LYS+  74   9.63 +/- 4.05   1.311% *  0.1232% (0.16   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HD2   LYS+ 121  15.07 +/- 2.50   0.140% *  0.7897% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HD2   LYS+ 121  16.45 +/- 6.17   0.141% *  0.4164% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HD2   LYS+ 121  20.73 +/- 5.23   0.067% *  0.7098% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HD2   LYS+ 121  21.97 +/- 5.39   0.447% *  0.0776% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - QD    LYS+  66  14.25 +/- 4.57   0.309% *  0.0984% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.82 +/- 3.22   0.056% *  0.4801% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - QD    LYS+  66  16.70 +/- 3.52   0.279% *  0.0883% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   8.03 +/- 0.86   0.708% *  0.0244% (0.31   1.0  1.00   0.02   2.31) =   0.001%
        T HD3   LYS+ 111 - HD2   LYS+ 121  18.16 +/- 2.77   0.069% *  0.2201% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HD2   LYS+ 121  12.97 +/- 2.85   0.409% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  12.75 +/- 3.15   0.676% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  20.24 +/- 3.46   0.053% *  0.1235% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  19.91 +/- 4.00   0.119% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  20.10 +/- 2.36   0.049% *  0.1107% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  20.94 +/- 3.90   0.064% *  0.0650% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74  12.37 +/- 4.12   0.597% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  17.42 +/- 3.06   0.078% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  22.08 +/- 4.15   0.076% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66  14.21 +/- 5.26   0.660% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  12.65 +/- 3.26   0.273% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  24.18 +/- 4.37   0.038% *  0.0343% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  19.56 +/- 3.14   0.082% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  16.15 +/- 4.03   0.171% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.73 +/- 1.07   0.213% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  16.79 +/- 3.23   0.168% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  21.84 +/- 4.34   0.050% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 7.21, residual support = 313.7:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.87 +/- 0.15  66.127% * 99.3656% (1.00  10.0 10.00   7.21 313.76) =  99.985%  kept
          QG2   VAL  107 - HD2   LYS+ 121   9.22 +/- 3.24   4.252% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA   20 - HD3   LYS+  74   6.66 +/- 3.58  13.916% *  0.0124% (0.12   1.0  1.00   0.02   6.87) =   0.003%
        T HG2   LYS+ 121 - QD    LYS+  66  15.42 +/- 4.53   0.942% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HD2   LYS+ 121   7.85 +/- 0.60   3.450% *  0.0307% (0.31   1.0  1.00   0.02   8.05) =   0.002%
          HG13  ILE  103 - HD2   LYS+ 121  15.00 +/- 5.55   0.812% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.80 +/- 4.09   0.218% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HD2   LYS+ 121  18.66 +/- 3.70   0.408% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  20.21 +/- 6.41   1.165% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  12.78 +/- 2.70   1.298% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  12.60 +/- 1.96   1.036% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  14.13 +/- 1.92   0.706% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66  12.39 +/- 3.36   2.491% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.86 +/- 3.79   0.604% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.59 +/- 3.97   0.723% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  17.29 +/- 3.75   0.950% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  15.90 +/- 1.93   0.483% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  17.19 +/- 2.68   0.418% *  0.0048% (0.05   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 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 313.7:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.87 +/- 0.10  65.895% * 99.1222% (1.00  10.0 10.00   6.63 313.76) =  99.967%  kept
        T QD2   LEU   73 - HD2   LYS+ 121  14.62 +/- 3.97   3.674% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.019%
        T QD2   LEU   73 - HD3   LYS+  74   7.77 +/- 0.95   4.358% *  0.0527% (0.05   1.0 10.00   0.02  42.18) =   0.004%
          QD1   ILE   56 - HD2   LYS+ 121  11.04 +/- 1.77   3.454% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HD2   LYS+ 121   8.26 +/- 0.83   3.588% *  0.0482% (0.49   1.0  1.00   0.02   2.31) =   0.003%
        T HG3   LYS+ 121 - QD    LYS+  66  15.42 +/- 4.66   0.976% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU  123 - QD    LYS+  66  11.06 +/- 4.25  10.061% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - QD    LYS+  66  11.41 +/- 1.16   1.164% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HD3   LYS+  74  21.65 +/- 3.92   0.213% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD    LYS+  66  10.98 +/- 2.25   2.059% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  20.05 +/- 5.40   0.663% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74  13.08 +/- 2.62   1.258% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.36 +/- 3.85   0.542% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  16.50 +/- 3.70   1.335% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  13.94 +/- 2.04   0.758% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 0.996, support = 6.53, residual support = 308.3:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.29 +/- 0.13  75.981% * 79.8698% (1.00  10.0  1.00   6.55 313.76) =  97.887%  kept
          HB3   HIS  122 - HD2   LYS+ 121   5.83 +/- 1.28   6.757% * 19.3250% (0.84   1.0  1.00   5.79  54.38) =   2.106%  kept
        T HG2   GLN   30 - HD2   LYS+ 121  21.47 +/- 5.49   0.334% *  0.5486% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HB3   HIS  122 - QD    LYS+  66  11.60 +/- 4.86  11.110% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - HD3   LYS+  74  12.94 +/- 2.70   0.823% *  0.0856% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - QD    LYS+  66  15.95 +/- 3.42   0.507% *  0.0682% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QD    LYS+  66  13.26 +/- 4.15   0.952% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  24.08 +/- 5.73   0.175% *  0.0358% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  19.75 +/- 5.45   0.943% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  18.15 +/- 4.27   0.271% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  24.33 +/- 4.02   0.190% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.46 +/- 1.98   1.161% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  19.05 +/- 2.72   0.173% *  0.0125% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  16.41 +/- 2.44   0.311% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  17.97 +/- 3.67   0.312% *  0.0015% (0.02   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 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 = 71.0:
    * O T HB2   HIS  122 - HA    HIS  122   2.58 +/- 0.26  99.214% * 99.8210% (1.00  10.0 10.00   2.76  71.03) =  99.999%  kept
          HA    LYS+ 112 - HA    HIS  122  15.61 +/- 0.85   0.488% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  18.90 +/- 1.96   0.298% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.99, support = 3.77, residual support = 70.0:
    * O T HB3   HIS  122 - HA    HIS  122   2.83 +/- 0.27  62.513% * 87.8597% (1.00  10.0 10.00   3.80  71.03) =  94.047%  kept
          QE    LYS+ 121 - HA    HIS  122   5.13 +/- 1.80  28.805% * 12.0589% (0.84   1.0  1.00   3.29  54.38) =   5.948%  kept
          HB3   ASP-  78 - HA    HIS  122  24.69 +/- 5.57   7.608% *  0.0361% (0.41   1.0  1.00   0.02   0.02) =   0.005%
          HG2   GLN   30 - HA    HIS  122  20.11 +/- 6.64   0.831% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  23.54 +/- 6.92   0.244% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 71.0:
    * O T HA    HIS  122 - HB2   HIS  122   2.58 +/- 0.26  96.289% * 99.8702% (1.00  10.0 10.00   2.76  71.03) =  99.997%  kept
          HA    VAL   41 - HB2   HIS  122  15.74 +/- 6.17   3.040% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HA    PHE   45 - HB2   HIS  122  17.38 +/- 2.73   0.451% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.10 +/- 1.95   0.220% *  0.0249% (0.25   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 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 = 70.9:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  92.901% * 85.9267% (1.00  10.0 10.00   3.71  71.03) =  99.336%  kept
          QE    LYS+ 121 - HB2   HIS  122   6.54 +/- 1.72   3.805% * 13.9936% (0.84   1.0  1.00   3.90  54.38) =   0.663%  kept
          HB3   ASP-  78 - HB2   HIS  122  23.28 +/- 5.12   1.686% *  0.0353% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HB2   HIS  122  18.92 +/- 6.42   1.485% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   28 - HB2   HIS  122  22.83 +/- 6.29   0.124% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.8, residual support = 71.0:
    * O T HA    HIS  122 - HB3   HIS  122   2.83 +/- 0.27  96.367% * 99.8702% (1.00  10.0 10.00   3.80  71.03) =  99.997%  kept
          HA    VAL   41 - HB3   HIS  122  15.94 +/- 6.12   2.790% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - HB3   HIS  122  17.10 +/- 2.74   0.560% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  20.61 +/- 1.90   0.283% *  0.0249% (0.25   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 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 71.0:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.655% * 99.8210% (1.00  10.0 10.00   3.71  71.03) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  13.82 +/- 1.32   0.222% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  16.94 +/- 1.89   0.123% *  0.0895% (0.90   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 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 = 202.2:
    * O T HB2   LEU  123 - HA    LEU  123   2.92 +/- 0.23  88.195% * 98.5720% (1.00  10.0 10.00   6.12 202.22) =  99.987%  kept
        T QD    LYS+  99 - HA    LEU  123  17.14 +/- 6.22   1.111% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 106 - HA    LEU  123  18.08 +/- 3.27   0.475% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    LEU  123   7.86 +/- 0.14   4.711% *  0.0304% (0.31   1.0  1.00   0.02   2.31) =   0.002%
          QD    LYS+  38 - HA    LEU  123  22.03 +/- 7.62   2.172% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LEU  123  20.09 +/- 5.32   0.656% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  14.85 +/- 3.22   1.216% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  21.46 +/- 5.31   0.355% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  20.64 +/- 2.76   0.291% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  21.04 +/- 1.25   0.256% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.03 +/- 2.37   0.200% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  26.43 +/- 4.80   0.362% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 202.2:
    * O T HB3   LEU  123 - HA    LEU  123   2.49 +/- 0.12  89.964% * 99.6484% (1.00  10.0 10.00   5.53 202.22) =  99.990%  kept
          QD    LYS+  33 - HA    LEU  123  21.60 +/- 7.39   7.229% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.008%
          QB    ALA   57 - HA    LEU  123  12.71 +/- 3.00   2.142% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HA    LEU  123  20.99 +/- 4.59   0.282% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  21.99 +/- 1.43   0.140% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  20.44 +/- 3.57   0.242% *  0.0197% (0.20   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 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 202.1:
    * O T HG    LEU  123 - HA    LEU  123   3.46 +/- 0.64  71.172% * 98.6685% (0.69  10.0 10.00   5.41 202.22) =  99.962%  kept
          HG3   PRO   68 - HA    LEU  123  17.44 +/- 7.81   5.876% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.011%
        T HB    ILE   56 - HA    LEU  123  13.70 +/- 2.91   2.188% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.008%
          QB    LYS+  33 - HA    LEU  123  21.75 +/- 7.28   4.135% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP- 105 - HA    LEU  123  14.90 +/- 5.87   1.854% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    LEU  123  13.03 +/- 5.60   7.992% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - HA    LEU  123  20.29 +/- 6.59   2.945% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HA    LEU  123  19.87 +/- 3.18   0.686% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LEU  123  21.05 +/- 5.04   0.575% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  16.73 +/- 3.32   0.840% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HA    LEU  123  20.77 +/- 3.71   0.573% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    LEU  123  20.98 +/- 5.01   0.603% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    LEU  123  26.65 +/- 3.63   0.391% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  27.70 +/- 2.06   0.170% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 202.2:
    *   T QD1   LEU  123 - HA    LEU  123   2.56 +/- 0.73  86.842% * 99.6081% (1.00 10.00   6.00 202.22) =  99.989%  kept
          QG1   VAL   70 - HA    LEU  123  13.79 +/- 5.14   6.032% *  0.0919% (0.92  1.00   0.02   0.02) =   0.006%
          HB3   LEU   63 - HA    LEU  123  14.49 +/- 3.61   4.060% *  0.0340% (0.34  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    LEU  123  17.37 +/- 4.61   1.035% *  0.0996% (1.00  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    LEU  123  16.69 +/- 6.82   1.070% *  0.0832% (0.84  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  123  16.33 +/- 4.88   0.962% *  0.0832% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 2.89 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 202.2:
    *   T QD2   LEU  123 - HA    LEU  123   3.07 +/- 0.39  94.713% * 99.9316% (1.00 10.00   4.92 202.22) =  99.998%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.13 +/- 0.51   4.225% *  0.0486% (0.49  1.00   0.02   2.31) =   0.002%
          HB3   LEU  104 - HA    LEU  123  16.69 +/- 6.82   1.063% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 202.2:
    * O T HA    LEU  123 - HB2   LEU  123   2.92 +/- 0.23  90.452% * 98.7431% (1.00  10.0 10.00   6.12 202.22) =  99.989%  kept
        T HA    LYS+  99 - HB2   LEU  123  20.59 +/- 5.78   0.453% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HB2   LEU  123  12.90 +/- 2.45   1.821% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB2   LEU  123  20.08 +/- 6.99   3.211% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HB2   LEU  123  25.36 +/- 7.67   0.775% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB2   LEU  123  13.24 +/- 1.25   1.146% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU  123  12.66 +/- 2.17   1.575% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB2   LEU  123  23.99 +/- 6.09   0.396% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  28.03 +/- 6.38   0.169% *  0.0337% (0.34   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 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 = 202.2:
    * O T HG    LEU  123 - HB2   LEU  123   2.45 +/- 0.29  88.433% * 97.8726% (0.69  10.0 10.00   5.44 202.22) =  99.984%  kept
        T QB    LYS+ 106 - HB2   LEU  123  15.85 +/- 3.03   0.493% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - HB2   LEU  123  18.34 +/- 7.15   2.658% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.004%
        T HB    VAL   41 - HB2   LEU  123  20.67 +/- 5.88   0.628% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HB2   LEU  123  14.30 +/- 5.45   0.888% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LEU  123  13.57 +/- 5.11   4.002% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB2   LEU  123  22.83 +/- 6.71   0.627% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   LEU  123  19.21 +/- 3.12   0.300% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  19.57 +/- 3.57   0.333% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  20.66 +/- 4.47   0.214% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  12.82 +/- 2.65   1.007% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  20.75 +/- 4.40   0.218% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  26.17 +/- 3.33   0.119% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  26.53 +/- 2.15   0.082% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 202.2:
    * O T QD1   LEU  123 - HB2   LEU  123   2.71 +/- 0.40  95.601% * 99.6081% (1.00  10.0 10.00   5.98 202.22) =  99.997%  kept
          QG1   VAL   70 - HB2   LEU  123  14.34 +/- 4.67   1.266% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  16.64 +/- 6.22   0.820% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU  123  16.98 +/- 4.41   0.631% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU  123  18.23 +/- 4.16   0.446% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  14.52 +/- 3.74   1.237% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.01, residual support = 201.5:
    * O T QD2   LEU  123 - HB2   LEU  123   2.86 +/- 0.24  94.676% * 92.6454% (1.00  10.0 10.00   5.03 202.22) =  99.652%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.74 +/- 0.90   4.166% *  7.3362% (0.49   1.0 10.00   0.33   2.31) =   0.347%  kept
          HB3   LEU  104 - HB2   LEU  123  16.64 +/- 6.22   1.157% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 202.2:
    * O T HA    LEU  123 - HG    LEU  123   3.46 +/- 0.64  72.595% * 99.5102% (0.69  10.0 10.00   5.41 202.22) =  99.977%  kept
          HA    LEU   40 - HG    LEU  123  19.54 +/- 7.00  13.141% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.010%
          HA    ILE   56 - HG    LEU  123  11.65 +/- 2.84   6.040% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.008%
          HA    PRO   58 - HG    LEU  123  11.36 +/- 2.31   3.812% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HG    LEU  123  12.62 +/- 1.51   2.150% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HG    LEU  123  24.98 +/- 7.26   0.684% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HG    LEU  123  20.60 +/- 5.24   0.735% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG    LEU  123  23.25 +/- 6.02   0.593% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  27.29 +/- 6.39   0.251% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.44, residual support = 202.2:
    * O T HB2   LEU  123 - HG    LEU  123   2.45 +/- 0.29  90.784% * 96.6014% (0.69  10.0 10.00   5.44 202.22) =  99.984%  kept
        T QD    LYS+  65 - HG    LEU  123  14.18 +/- 2.80   1.314% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   PRO   93 - HG    LEU  123  18.26 +/- 2.49   0.297% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 111 - HG    LEU  123  18.47 +/- 1.79   0.227% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG    LEU  123  21.65 +/- 4.45   0.180% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - HG    LEU  123  22.62 +/- 7.23   2.360% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG    LEU  123   7.69 +/- 0.84   3.140% *  0.0298% (0.21   1.0  1.00   0.02   2.31) =   0.001%
          HB2   LEU   73 - HG    LEU  123  19.62 +/- 5.11   0.452% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  17.90 +/- 5.11   0.506% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  17.08 +/- 2.82   0.360% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  20.75 +/- 2.19   0.198% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  25.42 +/- 4.17   0.183% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.13, residual support = 202.2:
    * O T HB3   LEU  123 - HG    LEU  123   2.73 +/- 0.17  91.823% * 97.8109% (0.69  10.0 10.00   5.13 202.22) =  99.975%  kept
        T QD    LYS+  33 - HG    LEU  123  22.15 +/- 6.60   1.439% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.016%
          QB    ALA   57 - HG    LEU  123  11.42 +/- 2.88   5.471% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.005%
        T HD3   LYS+ 111 - HG    LEU  123  19.44 +/- 1.86   0.301% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   ARG+  54 - HG    LEU  123  18.49 +/- 3.58   0.599% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG    LEU  123  20.20 +/- 4.04   0.368% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.01 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 = 5.58, residual support = 202.2:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.01  96.163% * 99.6081% (0.69  10.0 10.00   5.58 202.22) =  99.997%  kept
          QG1   VAL   70 - HG    LEU  123  13.68 +/- 4.52   1.456% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  123  13.53 +/- 3.20   1.182% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  16.13 +/- 4.57   0.475% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  17.53 +/- 4.32   0.389% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  16.90 +/- 5.92   0.334% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.6, residual support = 202.2:
    * O T QD2   LEU  123 - HG    LEU  123   2.11 +/- 0.02  98.499% * 99.9316% (0.69  10.0 10.00   4.60 202.22) =  99.999%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.52 +/- 0.83   1.162% *  0.0486% (0.33   1.0  1.00   0.02   2.31) =   0.001%
          HB3   LEU  104 - HG    LEU  123  16.90 +/- 5.92   0.338% *  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 = 6.0, residual support = 202.2:
    *   T HA    LEU  123 - QD1   LEU  123   2.56 +/- 0.73  78.411% * 99.5102% (1.00 10.00   6.00 202.22) =  99.984%  kept
          HA    LEU   40 - QD1   LEU  123  15.70 +/- 5.44   7.425% *  0.0524% (0.53  1.00   0.02   0.02) =   0.005%
          HA    ILE   56 - QD1   LEU  123   9.02 +/- 2.17   3.781% *  0.0975% (0.98  1.00   0.02   0.02) =   0.005%
          HA    PRO   58 - QD1   LEU  123   8.39 +/- 1.96   5.400% *  0.0373% (0.38  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - QD1   LEU  123  10.51 +/- 0.78   2.509% *  0.0524% (0.53  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QD1   LEU  123  20.27 +/- 5.64   0.850% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD1   LEU  123  16.48 +/- 4.38   0.849% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD1   LEU  123  18.78 +/- 4.52   0.515% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  22.13 +/- 5.00   0.262% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 5.97, residual support = 200.9:
    * O T HB2   LEU  123 - QD1   LEU  123   2.71 +/- 0.40  80.658% * 94.5172% (1.00  10.0 10.00   5.98 202.22) =  99.324%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.67 +/- 0.26  10.558% *  4.8738% (0.31   1.0  1.00   3.34   2.31) =   0.670%  kept
          QD    LYS+  65 - QD1   LEU  123  11.15 +/- 2.33   2.017% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD1   LEU  123  15.54 +/- 4.12   1.006% *  0.0611% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU  123  14.76 +/- 2.57   0.634% *  0.0943% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU  123  14.30 +/- 4.22   1.352% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD1   LEU  123  18.41 +/- 5.40   0.908% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU  123  15.24 +/- 1.08   0.548% *  0.0848% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  123  17.62 +/- 3.69   0.457% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  123  13.78 +/- 2.31   0.770% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  16.75 +/- 2.23   0.422% *  0.0757% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  20.44 +/- 3.47   0.671% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 202.2:
    * O T HB3   LEU  123 - QD1   LEU  123   2.96 +/- 0.24  75.004% * 99.6484% (1.00  10.0 10.00   5.69 202.22) =  99.971%  kept
          QB    ALA   57 - QD1   LEU  123   8.69 +/- 2.47  16.688% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.019%
          QD    LYS+  33 - QD1   LEU  123  17.82 +/- 5.34   6.200% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.008%
          HD3   LYS+ 111 - QD1   LEU  123  16.05 +/- 1.18   0.525% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD1   LEU  123  16.02 +/- 3.24   0.768% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   ARG+  54 - QD1   LEU  123  14.88 +/- 2.68   0.816% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.58, residual support = 202.2:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.01  85.325% * 98.8924% (0.69  10.0 10.00   5.58 202.22) =  99.990%  kept
          HG3   PRO   68 - QD1   LEU  123  14.15 +/- 5.16   1.466% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QD1   LEU  123   9.94 +/- 4.00   5.652% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD1   LEU  123  11.32 +/- 4.35   1.004% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD1   LEU  123  17.99 +/- 5.22   0.953% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QD1   LEU  123   8.98 +/- 2.40   2.421% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD1   LEU  123  16.07 +/- 4.66   1.205% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD1   LEU  123  14.38 +/- 2.36   0.372% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QD1   LEU  123  14.95 +/- 2.83   0.400% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  12.64 +/- 2.35   0.495% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  16.75 +/- 3.46   0.232% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  16.61 +/- 3.45   0.239% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  20.65 +/- 2.61   0.145% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  21.08 +/- 1.69   0.091% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.05, residual support = 202.2:
    * O T QD2   LEU  123 - QD1   LEU  123   2.06 +/- 0.06  97.015% * 99.7540% (1.00  10.0 10.00   5.05 202.22) =  99.997%  kept
        T HB3   LEU  104 - QD1   LEU  123  13.49 +/- 4.98   0.747% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD1   LEU  123   7.36 +/- 0.37   2.238% *  0.0486% (0.49   1.0  1.00   0.02   2.31) =   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 = 0.999, support = 4.92, residual support = 202.1:
    *   T HA    LEU  123 - QD2   LEU  123   3.07 +/- 0.39  69.713% * 99.1356% (1.00 10.00   4.92 202.22) =  99.946%  kept
          HA    PRO   58 - QD2   LEU  123   9.43 +/- 2.08   4.746% *  0.4136% (0.38  1.00   0.22   0.02) =   0.028%
          HA    ILE   56 - QD2   LEU  123   9.60 +/- 2.94   8.337% *  0.0972% (0.98  1.00   0.02   0.02) =   0.012%
          HA    LEU   40 - QD2   LEU  123  16.91 +/- 5.71  12.467% *  0.0522% (0.53  1.00   0.02   0.02) =   0.009%
          HA    ASP- 113 - QD2   LEU  123  11.00 +/- 1.26   2.327% *  0.0522% (0.53  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - QD2   LEU  123  17.94 +/- 4.23   0.778% *  0.0860% (0.87  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD2   LEU  123  21.30 +/- 6.09   0.632% *  0.0957% (0.97  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD2   LEU  123  19.31 +/- 5.20   0.684% *  0.0338% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  22.58 +/- 5.52   0.317% *  0.0338% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 202.2:
    * O T HB2   LEU  123 - QD2   LEU  123   2.86 +/- 0.24  82.658% * 99.0560% (1.00  10.0 10.00   5.03 202.22) =  99.975%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.69 +/- 0.73   4.409% *  0.3057% (0.31   1.0 10.00   0.02   2.31) =   0.016%
          QD    LYS+  38 - QD2   LEU  123  19.27 +/- 5.97   4.351% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   73 - QD2   LEU  123  16.63 +/- 4.54   1.634% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD2   LEU  123  11.77 +/- 2.63   3.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD2   LEU  123  15.69 +/- 2.28   0.591% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU  123  16.02 +/- 1.49   0.523% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU  123  18.89 +/- 3.47   0.480% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD2   LEU  123  15.58 +/- 4.12   1.019% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD2   LEU  123  17.82 +/- 2.12   0.388% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  15.20 +/- 1.89   0.635% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  21.81 +/- 3.53   0.310% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.6, residual support = 202.2:
    * O T HB3   LEU  123 - QD2   LEU  123   2.22 +/- 0.34  90.388% * 99.6484% (1.00  10.0 10.00   4.60 202.22) =  99.991%  kept
          QB    ALA   57 - QD2   LEU  123   9.31 +/- 2.72   6.332% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          QD    LYS+  33 - QD2   LEU  123  18.70 +/- 5.63   1.450% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - QD2   LEU  123  16.98 +/- 3.69   0.872% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - QD2   LEU  123  16.79 +/- 1.52   0.276% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  15.14 +/- 3.51   0.682% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.6, residual support = 202.2:
    * O T HG    LEU  123 - QD2   LEU  123   2.11 +/- 0.02  81.409% * 98.6685% (0.69  10.0 10.00   4.60 202.22) =  99.982%  kept
        T HB    ILE   56 - QD2   LEU  123   9.82 +/- 2.95   1.948% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.006%
          HG3   PRO   68 - QD2   LEU  123  14.78 +/- 5.49   2.603% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - QD2   LEU  123  10.63 +/- 4.03   8.484% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QD2   LEU  123  17.41 +/- 4.67   2.399% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD2   LEU  123  18.89 +/- 5.42   0.783% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD2   LEU  123  13.03 +/- 3.88   0.577% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD2   LEU  123  14.67 +/- 3.22   0.444% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QD2   LEU  123  15.47 +/- 3.95   0.493% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD2   LEU  123  14.06 +/- 2.00   0.317% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.31 +/- 3.16   0.170% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  18.16 +/- 3.18   0.197% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  21.67 +/- 2.84   0.104% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  22.28 +/- 1.67   0.073% *  0.0929% (0.65   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 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 202.2:
    * O T QD1   LEU  123 - QD2   LEU  123   2.06 +/- 0.06  95.136% * 99.6081% (1.00  10.0 10.00   5.05 202.22) =  99.996%  kept
          QG1   VAL   70 - QD2   LEU  123  11.74 +/- 3.53   1.335% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU  123  13.40 +/- 4.03   0.976% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD2   LEU  123  14.86 +/- 3.65   0.618% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  123  11.54 +/- 2.72   1.479% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QD2   LEU  123  15.07 +/- 4.55   0.456% *  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 = 9.16:
    * O T QB    ALA  124 - HA    ALA  124   2.12 +/- 0.02  84.074% * 97.4620% (1.00  10.0 10.00   1.00   9.16) =  99.986%  kept
        T HB2   LEU   31 - HA    ALA  124  25.65 +/- 8.43   1.073% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   LEU   31 - HA    ALA   34   7.37 +/- 0.27   2.032% *  0.0730% (0.07   1.0 10.00   0.02  10.52) =   0.002%
        T QB    ALA  124 - HA    ALA   34  20.71 +/- 7.27   0.734% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ALA  124  24.41 +/- 2.94   0.088% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    ALA  124  17.60 +/- 3.09   0.227% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  29.34 +/- 5.96   0.241% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  19.01 +/- 2.36   0.145% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.48 +/- 0.98   5.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  22.41 +/- 5.68   0.109% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.86 +/- 2.94   0.108% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34  12.89 +/- 6.01   2.528% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  21.32 +/- 8.04   0.252% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.23 +/- 2.92   0.083% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  13.72 +/- 3.71   0.531% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  20.29 +/- 4.43   0.130% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  26.01 +/- 8.94   0.199% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.03 +/- 1.75   0.070% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  20.09 +/- 5.10   0.343% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  19.43 +/- 1.68   0.120% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.03 +/- 2.53   0.259% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.08 +/- 0.94   0.202% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  24.34 +/- 7.35   0.107% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.01 +/- 4.95   0.109% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  11.10 +/- 1.21   0.674% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.14 +/- 2.48   0.091% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  19.07 +/- 2.76   0.137% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  17.91 +/- 4.45   0.232% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  29.27 +/- 3.34   0.039% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  26.54 +/- 3.46   0.064% *  0.0028% (0.03   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 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.16:
    * O T HA    ALA  124 - QB    ALA  124   2.12 +/- 0.02  97.649% * 98.8388% (1.00  10.0 10.00   1.00   9.16) =  99.995%  kept
        T HA    ALA   34 - QB    ALA  124  20.71 +/- 7.27   0.855% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASN   28 - QB    ALA  124  23.05 +/- 6.19   0.314% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA  124  23.72 +/- 8.23   0.374% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  18.65 +/- 2.76   0.202% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  13.95 +/- 1.00   0.366% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  26.52 +/- 3.62   0.111% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  22.09 +/- 5.30   0.129% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  98.184% * 97.4949% (1.00  10.0 10.00   5.54 202.22) =  99.989%  kept
        T QD    LYS+  33 - HB2   LEU  123  22.69 +/- 6.88   0.883% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T HD3   LYS+ 111 - HB2   LEU  123  19.94 +/- 1.66   0.072% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LEU  123  12.47 +/- 2.63   0.662% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HB2   LEU  123  21.33 +/- 4.11   0.089% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HG3   ARG+  54 - HB2   LEU  123  19.76 +/- 3.45   0.111% *  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  97.477% * 96.4170% (0.99  10.0 10.00   5.54 202.22) =  99.992%  kept
        T QD    LYS+  38 - HB3   LEU  123  23.26 +/- 7.64   0.713% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HB3   LEU  123  15.52 +/- 3.13   0.242% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU  123  22.38 +/- 4.77   0.065% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU  123  20.05 +/- 1.37   0.069% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LEU  123   8.53 +/- 0.22   0.850% *  0.0365% (0.38   1.0  1.00   0.02   2.31) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  27.15 +/- 4.33   0.059% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  20.30 +/- 2.79   0.073% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  18.46 +/- 5.63   0.192% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  21.21 +/- 5.17   0.115% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  18.42 +/- 2.80   0.097% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  22.82 +/- 2.50   0.050% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 202.2:
    * O T QD1   LEU  123 - HB3   LEU  123   2.96 +/- 0.24  92.270% * 99.6081% (1.00  10.0 10.00   5.69 202.22) =  99.994%  kept
          QG1   VAL   70 - HB3   LEU  123  14.79 +/- 4.76   2.528% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HB3   LEU  123  18.47 +/- 4.48   0.988% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB3   LEU  123  17.22 +/- 4.76   1.097% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  17.72 +/- 6.20   0.905% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  15.25 +/- 3.50   2.211% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.6, residual support = 202.2:
    * O T QD2   LEU  123 - HB3   LEU  123   2.22 +/- 0.34  98.315% * 99.9316% (1.00  10.0 10.00   4.60 202.22) =  99.999%  kept
          HG3   LYS+ 121 - HB3   LEU  123  10.04 +/- 0.66   1.255% *  0.0486% (0.49   1.0  1.00   0.02   2.31) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  17.72 +/- 6.20   0.430% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.686, support = 5.13, residual support = 202.1:
    * O T HG    LEU  123 - HB3   LEU  123   2.73 +/- 0.17  86.953% * 95.7694% (0.69  10.0 10.00   5.13 202.22) =  99.938%  kept
        T HG3   PRO   68 - HB3   LEU  123  18.53 +/- 7.41   2.698% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.042%
        T QB    LYS+  33 - HB3   LEU  123  23.15 +/- 6.95   0.854% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   ARG+  54 - HB3   LEU  123  19.66 +/- 3.39   0.383% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HB3   LEU  123  13.93 +/- 5.25   4.871% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HB3   LEU  123  15.59 +/- 5.33   0.766% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HB3   LEU  123  20.32 +/- 4.03   0.399% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  17.08 +/- 2.85   0.432% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  13.59 +/- 2.95   1.291% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  21.89 +/- 4.35   0.209% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  21.50 +/- 6.06   0.669% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  27.04 +/- 3.46   0.175% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  21.93 +/- 4.28   0.209% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  27.74 +/- 1.98   0.090% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 202.2:
    * O T HA    LEU  123 - HB3   LEU  123   2.49 +/- 0.12  93.406% * 99.5102% (1.00  10.0 10.00   5.53 202.22) =  99.996%  kept
          HA    LEU   40 - HB3   LEU  123  20.72 +/- 7.29   2.783% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HB3   LEU  123  13.49 +/- 2.84   0.990% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB3   LEU  123  25.78 +/- 8.13   0.667% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU  123  13.04 +/- 2.41   0.905% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   LEU  123  14.13 +/- 1.09   0.545% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  21.52 +/- 5.79   0.283% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  24.02 +/- 6.60   0.305% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  28.01 +/- 6.87   0.116% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.976, support = 5.67, residual support = 313.8:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  86.955% * 76.1572% (1.00  10.0   5.62 313.76) =  96.542%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.86 +/- 0.42  10.086% * 23.5057% (0.31  10.0   7.02 313.76) =   3.456%  kept
          HG    LEU  104 - HD3   LYS+ 121  12.05 +/- 7.74   1.567% *  0.0235% (0.31   1.0   0.02   0.02) =   0.001%
          QD    LYS+  66 - HD3   LYS+ 121  14.98 +/- 4.36   0.370% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  19.84 +/- 4.62   0.116% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  18.04 +/- 2.53   0.097% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  16.36 +/- 6.63   0.481% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.34 +/- 4.05   0.103% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  16.58 +/- 2.96   0.153% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  21.11 +/- 3.66   0.071% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 313.7:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.54 +/- 0.28  92.091% * 99.7211% (1.00  10.0   6.28 313.76) =  99.995%  kept
          QG2   VAL  107 - HD3   LYS+ 121   9.95 +/- 3.33   2.564% *  0.0921% (0.92   1.0   0.02   0.02) =   0.003%
          HG13  ILE  119 - HD3   LYS+ 121   9.22 +/- 0.55   2.171% *  0.0308% (0.31   1.0   0.02   8.05) =   0.001%
          HG13  ILE  103 - HD3   LYS+ 121  14.76 +/- 6.22   1.307% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   LEU   31 - HD3   LYS+ 121  20.23 +/- 6.82   1.411% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  19.13 +/- 3.88   0.457% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 313.7:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.61 +/- 0.31  93.121% * 98.9917% (1.00  10.0 10.00   5.98 313.76) =  99.980%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.04 +/- 1.75   1.685% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.011%
        T QD2   LEU   73 - HD3   LYS+ 121  14.94 +/- 4.20   2.186% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU  123 - HD3   LYS+ 121   9.19 +/- 0.70   2.499% *  0.0482% (0.49   1.0  1.00   0.02   2.31) =   0.001%
          HG    LEU   31 - HD3   LYS+ 121  20.16 +/- 5.79   0.509% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.12, residual support = 313.7:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.35 +/- 0.25  82.137% * 99.2313% (1.00  10.0  1.00   7.12 313.76) =  99.986%  kept
          HB    VAL   83 - HD3   LYS+ 121  22.23 +/- 5.66   3.870% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.005%
        T HD3   LYS+ 111 - HD3   LYS+ 121  19.09 +/- 3.21   0.639% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HD3   LYS+ 121   9.01 +/- 0.95   4.905% *  0.0306% (0.31   1.0  1.00   0.02   2.31) =   0.002%
          QD    LYS+  65 - HD3   LYS+ 121  15.82 +/- 2.63   1.320% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HD3   LYS+ 121  15.89 +/- 6.89   1.907% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HD3   LYS+ 121  13.88 +/- 3.00   3.073% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   LYS+ 121  20.62 +/- 5.55   0.790% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD3   LYS+ 121  20.40 +/- 3.63   0.613% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.38 +/- 3.36   0.746% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.77, residual support = 310.4:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.42 +/- 0.15  92.720% * 84.0244% (1.00  10.0   5.79 313.76) =  98.718%  kept
          HB3   HIS  122 - HD3   LYS+ 121   6.79 +/- 1.41   6.374% * 15.8673% (0.84   1.0   4.52  54.38) =   1.281%  kept
          HG2   GLN   30 - HD3   LYS+ 121  21.79 +/- 5.64   0.385% *  0.0577% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  24.14 +/- 6.16   0.269% *  0.0377% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  24.88 +/- 4.29   0.253% *  0.0130% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.994, support = 6.6, residual support = 306.7:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.37 +/- 0.58  56.010% * 88.1022% (1.00 10.00   6.68 313.76) =  97.727%  kept
          HA    ALA  120 - HD3   LYS+ 121   7.85 +/- 0.63  10.039% * 11.1687% (0.76  1.00   3.32   2.83) =   2.221%  kept
          QB    SER  117 - HD3   LYS+ 121   8.19 +/- 2.33  18.887% *  0.0736% (0.84  1.00   0.02   0.02) =   0.028%
          QB    SER   48 - HD3   LYS+ 121  21.84 +/- 4.44   5.990% *  0.0833% (0.95  1.00   0.02   0.02) =   0.010%
        T HA    LYS+  65 - HD3   LYS+ 121  17.52 +/- 2.42   1.209% *  0.3005% (0.34 10.00   0.02   0.02) =   0.007%
          HB    THR   94 - HD3   LYS+ 121  16.67 +/- 3.13   1.609% *  0.0873% (0.99  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - HD3   LYS+ 121  23.29 +/- 3.04   1.000% *  0.0873% (0.99  1.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HD3   LYS+ 121  13.47 +/- 1.97   3.262% *  0.0245% (0.28  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HD3   LYS+ 121  22.61 +/- 4.95   1.283% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HD3   LYS+ 121  23.36 +/- 4.44   0.713% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
    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 = 7.68, residual support = 313.7:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.74 +/- 0.14  88.727% * 99.7211% (0.84  10.0 10.00   7.68 313.76) =  99.992%  kept
          QG2   VAL  107 - HB3   LYS+ 121   9.25 +/- 3.12   5.180% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.005%
          HG13  ILE  119 - HB3   LYS+ 121   8.19 +/- 0.63   3.576% *  0.0308% (0.26   1.0  1.00   0.02   8.05) =   0.001%
          QB    ALA   20 - HB3   LYS+ 121  19.19 +/- 4.16   0.719% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB3   LYS+ 121  15.17 +/- 5.51   0.910% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  20.70 +/- 6.66   0.887% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.01, residual support = 313.7:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.39 +/- 0.22  94.707% * 99.5295% (0.84  10.0 10.00   7.01 313.76) =  99.994%  kept
        T QD2   LEU   73 - HB3   LYS+ 121  15.21 +/- 3.79   0.958% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HB3   LYS+ 121   8.15 +/- 0.71   2.884% *  0.0484% (0.41   1.0  1.00   0.02   2.31) =   0.001%
          QD1   ILE   56 - HB3   LYS+ 121  11.50 +/- 1.38   1.088% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LYS+ 121  20.58 +/- 5.49   0.364% *  0.0222% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.71, residual support = 313.7:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  96.940% * 97.1314% (0.84  10.0 10.00   8.71 313.76) =  99.994%  kept
        T QD    LYS+  65 - HB3   LYS+ 121  15.90 +/- 2.66   0.224% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HB3   LYS+ 121  16.63 +/- 6.14   0.236% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB3   LYS+ 121  21.17 +/- 5.51   0.102% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HB3   LYS+ 121  22.33 +/- 5.32   0.493% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+ 121   7.45 +/- 0.63   1.328% *  0.0300% (0.26   1.0  1.00   0.02   2.31) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  17.99 +/- 1.72   0.098% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  13.50 +/- 2.33   0.361% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  20.42 +/- 3.89   0.098% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.52 +/- 2.93   0.119% *  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 = 0.813, support = 6.74, residual support = 271.8:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.90 +/- 0.54  75.084% * 59.1684% (0.84  1.00   6.96 313.76) =  83.846%  kept
          HB3   HIS  122 - HB3   LYS+ 121   6.34 +/- 0.77  21.597% * 39.5616% (0.70  1.00   5.57  54.38) =  16.125%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.08 +/- 5.42   1.201% *  1.1675% (0.57 10.00   0.02   0.02) =   0.026%
          HB3   ASN   28 - HB3   LYS+ 121  24.61 +/- 5.79   0.810% *  0.0762% (0.37  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB3   LYS+ 121  24.71 +/- 4.29   1.308% *  0.0262% (0.13  1.00   0.02   0.02) =   0.001%
    Distance limit 4.54 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 = 309.3:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.53 +/- 0.23  83.111% * 84.1889% (0.84  10.0 10.00   8.20 313.76) =  98.561%  kept
          HA    ALA  120 - HB3   LYS+ 121   6.03 +/- 0.27   6.710% * 15.1145% (0.64   1.0  1.00   4.70   2.83) =   1.429%  kept
          QB    SER  117 - HB3   LYS+ 121   6.86 +/- 1.04   6.824% *  0.0703% (0.70   1.0  1.00   0.02   0.02) =   0.007%
        T HA    LYS+  65 - HB3   LYS+ 121  17.67 +/- 2.99   0.419% *  0.2872% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   48 - HB3   LYS+ 121  21.62 +/- 4.02   0.624% *  0.0796% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   LYS+ 121  16.44 +/- 2.60   0.439% *  0.0834% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB3   LYS+ 121  13.20 +/- 1.84   0.992% *  0.0234% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  22.62 +/- 4.20   0.519% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  22.80 +/- 2.49   0.148% *  0.0834% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  23.51 +/- 4.68   0.214% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.78, support = 8.59, residual support = 313.7:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  64.027% * 55.3563% (0.84  10.0 10.00   8.71 313.76) =  70.481%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.26 +/- 0.43  34.617% * 42.8727% (0.65  10.0 10.00   8.33 313.76) =  29.512%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  14.25 +/- 4.57   0.337% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  65 - HB2   LYS+ 121  17.16 +/- 2.91   0.119% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  12.75 +/- 6.64   0.569% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HB2   LYS+ 121  20.24 +/- 3.46   0.058% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.60 +/- 3.71   0.070% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  15.03 +/- 1.94   0.122% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  19.52 +/- 4.27   0.081% *  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 = 0.77, support = 8.02, residual support = 308.6:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.53 +/- 0.23  37.776% * 52.0655% (0.84  10.0 10.00   8.20 313.76) =  75.202%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.87 +/- 0.62  14.108% * 40.3240% (0.65   1.0 10.00   7.76 313.76) =  21.752%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.81 +/- 0.62  31.515% *  2.2150% (0.04  10.0 10.00   5.39 159.04) =   2.669%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.40 +/- 0.66   2.469% *  3.7757% (0.06   1.0 10.00   5.47  29.94) =   0.356%  kept
        T QD    LYS+  66 - HA    LYS+ 121  15.45 +/- 5.04   0.481% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.011%
        T HD3   LYS+  74 - HA    LYS+  65   9.62 +/- 4.25   2.401% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  65 - HA    LYS+ 121  18.90 +/- 3.25   0.159% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HA    LYS+ 121  13.99 +/- 7.24   0.791% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HA    LYS+ 121  22.30 +/- 3.91   0.095% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    LYS+  65   9.35 +/- 3.64   7.552% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.86 +/- 1.61   0.143% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.67 +/- 2.99   0.160% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  20.91 +/- 4.80   0.140% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.81 +/- 2.23   0.150% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  12.73 +/- 3.25   1.683% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.71 +/- 4.03   0.107% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.21 +/- 3.09   0.187% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.50 +/- 2.90   0.081% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.973, support = 6.64, residual support = 309.4:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.37 +/- 0.58  15.859% * 97.6597% (1.00   1.0 10.00   6.68 313.76) =  97.292%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.19 +/- 0.54  34.540% *  1.2130% (0.01  10.0 10.00   5.27 159.04) =   2.632%  kept
          HG    LEU   80 - HA    LYS+ 121  25.89 +/- 6.44   7.385% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.022%
        T HG3   LYS+  33 - HA    LYS+ 121  23.73 +/- 6.99   1.235% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.019%
          HB2   LEU   80 - HA    LYS+ 121  25.13 +/- 5.84   1.714% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.010%
          QB    LEU   98 - HA    LYS+ 121  15.53 +/- 5.22   0.711% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - HA    LYS+ 121  18.45 +/- 3.40   0.294% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HA    LYS+  65   9.75 +/- 3.54   9.230% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - HA    LYS+  65  16.42 +/- 3.81   3.057% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    LYS+ 121  15.25 +/- 5.25   1.207% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    LYS+ 121  14.57 +/- 1.36   0.405% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 121  13.32 +/- 1.53   0.666% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+ 121  21.66 +/- 4.28   0.202% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+  65   5.99 +/- 1.38   8.814% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HA    LYS+  65  17.52 +/- 2.42   0.269% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+ 121  22.20 +/- 4.81   0.242% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 121  17.92 +/- 4.82   0.498% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+ 121  26.83 +/- 4.96   0.130% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.18 +/- 1.06   6.270% *  0.0012% (0.01   1.0  1.00   0.02   0.34) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.14 +/- 4.71   0.473% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.57 +/- 3.17   1.216% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  10.39 +/- 2.23   2.839% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  17.18 +/- 3.31   0.376% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  15.35 +/- 1.54   0.350% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.51 +/- 1.38   1.075% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  17.10 +/- 4.03   0.345% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.92 +/- 3.22   0.317% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  17.93 +/- 3.24   0.280% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.07 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 = 6.31, residual support = 225.6:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  92.632% * 92.4931% (1.00  10.0 10.00   6.32 226.06) =  99.779%  kept
          QB    GLU- 114 - HB3   LEU  115   5.64 +/- 0.42   2.945% *  6.2961% (0.31   1.0  1.00   4.41  21.60) =   0.216%  kept
        T HB2   LEU   67 - HB3   LEU  115  16.01 +/- 2.91   0.235% *  0.7406% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - HB3   LEU  115   9.47 +/- 2.27   1.158% *  0.0923% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   67 - HB3   LEU   40   9.60 +/- 1.88   0.937% *  0.0869% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HB3   LEU   40  19.03 +/- 2.59   0.099% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  19.06 +/- 4.58   0.170% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.14 +/- 1.80   0.264% *  0.0257% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  18.65 +/- 2.53   0.095% *  0.0487% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  19.68 +/- 2.31   0.076% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  12.20 +/- 2.56   0.410% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.56 +/- 2.62   0.384% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.23 +/- 3.80   0.272% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  19.90 +/- 4.02   0.127% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  22.94 +/- 4.78   0.114% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  19.59 +/- 2.69   0.082% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 7.19, residual support = 237.9:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  93.804% * 98.3538% (1.00  10.0 10.00   7.19 237.94) =  99.995%  kept
          HB3   PRO   93 - HB3   LYS+ 112   8.38 +/- 2.98   4.379% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   42 - HB3   LYS+ 112  17.71 +/- 3.07   0.165% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.29 +/- 1.73   0.140% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  13.47 +/- 2.84   0.763% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  18.00 +/- 2.69   0.116% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  20.33 +/- 4.08   0.094% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  15.97 +/- 2.98   0.188% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  27.81 +/- 4.27   0.036% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.23 +/- 2.22   0.030% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.63 +/- 1.62   0.103% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  19.19 +/- 2.26   0.091% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.27 +/- 2.58   0.066% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  29.24 +/- 3.76   0.024% *  0.0517% (0.53   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 1710 (1.19, 1.19, 32.81 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 112 - HB3   LYS+ 112  (1.00)  kept
 
    Peak 1716 (1.20, 1.11, 29.98 ppm):
    6 chemical-shift based assignments, quality = 0.911, support = 4.54, residual support = 237.7:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  78.896% * 54.1496% (0.95  10.0   4.33 237.94) =  84.285%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.13 +/- 0.54  19.122% * 41.3827% (0.72  10.0   5.65 237.94) =  15.612%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.33 +/- 1.54   1.193% *  4.3539% (0.36   1.0   4.28  28.70) =   0.103%  kept
          QG2   THR   94 - HD3   LYS+ 112  11.15 +/- 2.63   0.585% *  0.0434% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   LEU   71 - HD3   LYS+ 112  22.91 +/- 4.16   0.072% *  0.0537% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  16.99 +/- 3.40   0.131% *  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 = 6.81, residual support = 313.1:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  75.577% * 97.3629% (1.00  10.0   6.85 315.14) =  99.335%  kept
          QB    GLU- 114 - HB3   LYS+ 111   4.36 +/- 1.65  23.835% *  2.0671% (0.57   1.0   0.75   1.72) =   0.665%  kept
          HB    ILE  119 - HB3   LYS+ 111  11.92 +/- 1.35   0.270% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  25.89 +/- 4.63   0.052% *  0.0845% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  24.79 +/- 5.21   0.089% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  27.80 +/- 3.58   0.025% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  28.49 +/- 2.86   0.020% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  30.11 +/- 4.32   0.019% *  0.0873% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  24.97 +/- 3.12   0.032% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  26.29 +/- 3.87   0.031% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  25.71 +/- 3.52   0.030% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  27.91 +/- 3.22   0.022% *  0.0271% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 60.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.20 +/- 0.23  96.319% * 99.5482% (1.00  10.0 10.00   4.60  60.17) =  99.998%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.59 +/- 1.39   0.814% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   VAL   24 - HA    VAL  107  18.43 +/- 2.99   0.208% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  10.34 +/- 2.71   1.587% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  19.42 +/- 2.95   0.182% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  13.45 +/- 3.28   0.743% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.33 +/- 3.02   0.147% *  0.0174% (0.18   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 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.76 +/- 0.31  90.492% * 99.7501% (1.00  10.0 10.00   3.63  60.17) =  99.994%  kept
          HG2   LYS+ 121 - HA    VAL  107  12.05 +/- 4.67   3.118% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HA    VAL  107  10.91 +/- 1.41   1.834% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  10.34 +/- 2.71   3.903% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    VAL  107  18.93 +/- 2.07   0.360% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.33 +/- 3.02   0.293% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.992, support = 3.3, residual support = 41.2:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.95 +/- 0.15  63.102% * 84.0094% (1.00  10.0 10.00   3.25  42.19) =  94.212%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.36 +/- 0.34  21.150% * 15.3554% (0.87   1.0  1.00   4.21  24.58) =   5.772%  kept
          HB    ILE  103 - HA    ASP- 105   6.33 +/- 0.71   7.224% *  0.0833% (0.99   1.0  1.00   0.02   3.49) =   0.011%
          QB    LYS+  81 - HA    ASP- 105  19.33 +/- 3.37   0.903% *  0.0753% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.48 +/- 0.65   4.180% *  0.0130% (0.15   1.0  1.00   0.02   3.49) =   0.001%
          QB    LYS+  33 - HA    ASP- 105  19.80 +/- 3.43   0.458% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ASP- 105  17.37 +/- 2.62   0.457% *  0.0795% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ASP- 105  19.87 +/- 5.01   0.387% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    ASP- 105  15.96 +/- 2.78   0.500% *  0.0377% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  22.02 +/- 3.40   0.208% *  0.0838% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  16.18 +/- 4.81   0.559% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  19.89 +/- 2.98   0.329% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  20.66 +/- 3.21   0.226% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  19.57 +/- 2.85   0.319% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 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 = 3.46, residual support = 42.2:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  97.090% * 99.5527% (0.95  10.0 10.00   3.46  42.19) =  99.998%  kept
          HB2   MET   96 - HB3   ASP- 105   8.55 +/- 1.10   0.978% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   ASP- 105  13.70 +/- 1.96   0.316% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  18.49 +/- 3.54   0.201% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  10.94 +/- 4.23   0.785% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  13.61 +/- 2.89   0.336% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.77 +/- 1.90   0.090% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.62 +/- 2.95   0.060% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.61 +/- 3.58   0.144% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 5.03, residual support = 141.0:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  48.630% * 66.9933% (1.00  10.0  1.00   4.88 134.65) =  67.311%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  48.630% * 32.5339% (0.49  10.0  1.00   5.34 154.00) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  14.50 +/- 3.21   0.151% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  17.84 +/- 3.85   0.707% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  16.34 +/- 2.21   0.074% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  10.23 +/- 4.24   0.924% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.73 +/- 1.89   0.228% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  21.66 +/- 4.59   0.061% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  18.65 +/- 4.09   0.087% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.83 +/- 2.76   0.035% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  21.04 +/- 4.76   0.111% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  21.24 +/- 2.52   0.031% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  19.90 +/- 2.69   0.046% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  18.21 +/- 2.55   0.052% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  16.52 +/- 1.69   0.067% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  20.13 +/- 4.39   0.049% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  24.95 +/- 2.83   0.019% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.91 +/- 2.58   0.035% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  22.76 +/- 4.32   0.049% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.94 +/- 4.02   0.015% *  0.0066% (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 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 4.31, residual support = 138.3:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  95.371% * 81.2320% (0.80  10.0 10.00   4.30 139.04) =  99.385%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.14 +/- 0.65   2.618% * 18.2538% (0.73   1.0  1.00   4.96  23.49) =   0.613%  kept
          HB    VAL   41 - HG13  ILE  103  10.30 +/- 3.33   1.172% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG13  ILE  103  17.16 +/- 3.54   0.226% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.60 +/- 2.13   0.145% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  17.23 +/- 2.70   0.184% *  0.0615% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  16.94 +/- 3.34   0.148% *  0.0574% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  20.46 +/- 3.67   0.074% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  21.41 +/- 2.54   0.063% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1773 (1.16, 1.16, 28.60 ppm):
    1 diagonal assignment:
    *     HG13  ILE  103 - HG13  ILE  103  (1.00)  kept
 
    Peak 1786 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1825 (0.59, 0.59, 24.39 ppm):
    1 diagonal assignment:
    *     QD2   LEU   80 - QD2   LEU   80  (1.00)  kept
 
    Peak 1828 (1.44, 1.44, 26.98 ppm):
    4 diagonal assignments:
    *     HG    LEU   80 - HG    LEU   80  (0.42)  kept
          HG    LEU   73 - HG    LEU   73  (0.24)  kept
          HG    LEU   40 - HG    LEU   40  (0.24)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.12)  kept
 
    Peak 1835 (2.14, 2.14, 31.53 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  79 - HB3   GLU-  79  (1.00)  kept
          HB2   GLN   90 - HB2   GLN   90  (0.23)  kept
 
    Peak 1858 (1.48, 1.41, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.65, residual support = 186.8:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  92.774% * 99.4757% (0.80  10.0   5.65 186.80) =  99.996%  kept
          HG2   LYS+  65 - HB3   LYS+  74  10.28 +/- 3.43   1.854% *  0.0557% (0.45   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HB3   LYS+  74   8.53 +/- 2.39   1.489% *  0.0654% (0.53   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HB3   LYS+  74  11.77 +/- 3.30   2.488% *  0.0310% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HB3   LYS+  74  14.78 +/- 2.94   0.436% *  0.1114% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HB3   LYS+  74  13.13 +/- 2.67   0.515% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  17.74 +/- 2.32   0.112% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.82 +/- 2.95   0.094% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  19.72 +/- 3.78   0.120% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  17.12 +/- 2.16   0.117% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 5.15, residual support = 216.5:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  98.825% * 99.3078% (1.00  10.0 10.00   5.15 216.49) =  99.999%  kept
        T HG3   LYS+  99 - HG13  ILE   89  18.89 +/- 2.75   0.148% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HG13  ILE   89  14.81 +/- 2.78   0.262% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  13.60 +/- 2.94   0.285% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  16.13 +/- 3.50   0.222% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  20.54 +/- 3.08   0.081% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  19.80 +/- 3.03   0.096% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  20.09 +/- 3.27   0.081% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.2:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.02  93.027% * 99.6237% (1.00  10.0 10.00   2.81  24.24) =  99.996%  kept
          HA1   GLY   51 - QB    ALA   57   9.31 +/- 1.68   1.538% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA   57  16.44 +/- 4.64   1.935% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    ALA   57  13.59 +/- 4.07   1.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57  10.37 +/- 1.75   1.230% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  12.42 +/- 1.72   0.568% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  18.64 +/- 3.11   0.192% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  17.53 +/- 2.51   0.250% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  19.24 +/- 2.42   0.155% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  25.74 +/- 5.00   0.104% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.2:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  98.354% * 97.5263% (1.00  10.0 10.00   2.81  10.17) =  99.998%  kept
          HA    ALA   57 - HA2   GLY   51  10.46 +/- 1.41   0.555% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  27.25 +/- 4.99   0.048% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  24.59 +/- 4.13   0.075% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  21.32 +/- 3.30   0.068% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  19.08 +/- 4.92   0.324% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  15.21 +/- 4.86   0.293% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  20.60 +/- 2.44   0.071% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.07 +/- 1.75   0.191% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  35.76 +/- 6.52   0.021% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 65.0:
    * O T QG2   VAL   24 - QG1   VAL   24   2.01 +/- 0.07  98.029% * 99.5951% (1.00  10.0 10.00   2.70  65.04) =  99.998%  kept
          HG    LEU   63 - QG1   VAL   24  15.30 +/- 4.43   1.564% *  0.0961% (0.97   1.0  1.00   0.02   0.92) =   0.002%
        T QG1   VAL  107 - QG1   VAL   24  16.18 +/- 2.39   0.254% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QG1   VAL   24  20.92 +/- 4.07   0.153% *  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 = 6.45, residual support = 158.4:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  95.655% * 99.4743% (1.00  10.0 10.00   6.45 158.42) =  99.998%  kept
          HB3   HIS  122 - HG3   GLN   30  18.79 +/- 6.41   2.277% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   28 - HG3   GLN   30   8.88 +/- 0.53   0.775% *  0.0918% (0.92   1.0  1.00   0.02  19.60) =   0.001%
          QE    LYS+ 121 - HG3   GLN   30  18.91 +/- 5.19   0.494% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  27.60 +/- 4.24   0.035% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  20.69 +/- 2.53   0.069% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  15.22 +/- 2.41   0.194% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  15.44 +/- 2.32   0.168% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  17.64 +/- 1.68   0.103% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  29.24 +/- 4.06   0.028% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.01 +/- 2.50   0.150% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.76 +/- 2.84   0.053% *  0.0072% (0.07   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 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 = 0.998, support = 4.56, residual support = 153.5:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.77 +/- 0.55  68.209% * 96.2131% (1.00  10.0   4.57 154.00) =  99.649%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.71 +/- 1.50   7.542% *  2.9240% (0.31   1.0   1.96   0.52) =   0.335%  kept
          QE    LYS+  65 - HG2   LYS+  33  17.24 +/- 3.45   3.418% *  0.0863% (0.90   1.0   0.02   0.02) =   0.004%
          HB2   ASN   28 - HG2   LYS+  33   9.73 +/- 1.04   2.224% *  0.0943% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HG2   LYS+  33   8.33 +/- 0.65   3.118% *  0.0328% (0.34   1.0   0.02   5.21) =   0.002%
          HB2   ASP-  78 - HG2   LYS+  33  22.24 +/- 4.36   1.245% *  0.0622% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QG    LYS+  81   9.11 +/- 0.68   2.358% *  0.0316% (0.33   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG2   LYS+ 106  12.29 +/- 3.73   1.672% *  0.0401% (0.42   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   8.04 +/- 1.42   4.221% *  0.0103% (0.11   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - QG    LYS+  81  16.81 +/- 4.23   0.870% *  0.0413% (0.43   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - QG    LYS+  81  18.77 +/- 5.78   0.690% *  0.0452% (0.47   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  18.80 +/- 3.06   0.410% *  0.0523% (0.54   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.27 +/- 2.60   0.300% *  0.0584% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  20.60 +/- 4.39   0.262% *  0.0661% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  20.25 +/- 4.11   0.354% *  0.0461% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  19.45 +/- 3.44   0.418% *  0.0377% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  21.64 +/- 3.59   0.212% *  0.0572% (0.59   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  18.27 +/- 3.03   0.515% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  15.77 +/- 3.22   0.661% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  16.87 +/- 2.58   0.585% *  0.0130% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  22.27 +/- 4.06   0.173% *  0.0199% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  25.14 +/- 4.65   0.152% *  0.0157% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.79 +/- 3.91   0.244% *  0.0090% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  24.13 +/- 1.84   0.145% *  0.0071% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 154.0:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.28 +/- 0.12  97.164% * 98.2551% (1.00  10.0 10.00   5.63 154.00) =  99.994%  kept
        T QG    LYS+  81 - QB    LYS+  33  20.38 +/- 4.13   0.458% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+ 106 - QB    LYS+  33  19.93 +/- 2.73   0.183% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  33  21.08 +/- 6.29   0.968% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  16.47 +/- 4.29   0.829% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  15.88 +/- 1.30   0.319% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.93 +/- 4.02   0.078% *  0.0478% (0.49   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 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.976, support = 4.81, residual support = 215.5:
    *     QE    LYS+  38 - HA    LYS+  38   3.99 +/- 0.99  42.212% * 93.8616% (1.00  1.00   4.83 220.04) =  97.517%  kept
          QE    LYS+  99 - HA    GLU- 100   5.55 +/- 0.75  21.745% *  4.3877% (0.05  1.00   4.17  39.71) =   2.348%  kept
          QE    LYS+  99 - HA    LYS+  38  10.22 +/- 6.11   9.972% *  0.3484% (0.90  1.00   0.02   0.02) =   0.086%
        T HB3   TRP   27 - HA    LYS+  38  14.82 +/- 1.64   1.099% *  0.8648% (0.22 10.00   0.02   0.02) =   0.023%
          QE    LYS+ 102 - HA    LYS+  38  16.59 +/- 4.26   1.312% *  0.3586% (0.92  1.00   0.02   0.02) =   0.012%
          QE    LYS+  38 - HA    GLU- 100  11.40 +/- 5.85  11.424% *  0.0235% (0.06  1.00   0.02   0.02) =   0.007%
          QE    LYS+ 102 - HA    GLU- 100   8.61 +/- 1.16   7.811% *  0.0217% (0.06  1.00   0.02   0.02) =   0.004%
          HB2   PHE   97 - HA    LYS+  38  16.88 +/- 3.49   0.975% *  0.0769% (0.20  1.00   0.02   0.02) =   0.002%
        T HB3   TRP   27 - HA    GLU- 100  17.05 +/- 4.12   1.228% *  0.0523% (0.01 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HA    GLU- 100  11.59 +/- 0.74   2.222% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.91, support = 4.72, residual support = 157.0:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.60 +/- 0.44  45.946% * 54.8141% (1.00  10.0 10.00   4.35 159.04) =  60.331%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.79 +/- 0.49  38.984% * 42.4513% (0.77  10.0 10.00   5.28 154.00) =  39.644%  kept
        T QE    LYS+  33 - HG3   LYS+  65  16.80 +/- 3.70   0.494% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  65 - HG3   LYS+  33  17.40 +/- 3.19   0.335% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.004%
          HB2   ASN   28 - HG3   LYS+ 102  21.00 +/- 6.49   3.177% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.003%
        T QE    LYS+  65 - HG3   LYS+ 106  18.27 +/- 3.17   0.425% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - HG3   LYS+  33   9.16 +/- 1.01   1.352% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 102  18.85 +/- 3.92   0.149% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  33   7.61 +/- 0.50   2.062% *  0.0287% (0.52   1.0  1.00   0.02   5.21) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.20 +/- 4.21   0.124% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HG3   LYS+  65  16.48 +/- 5.26   2.334% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.72 +/- 2.60   0.124% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+  65  19.37 +/- 5.07   0.425% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HG3   LYS+  33  22.14 +/- 4.14   1.210% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG3   LYS+ 106  12.27 +/- 3.25   0.984% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG3   LYS+ 102  16.73 +/- 3.28   0.384% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  18.28 +/- 6.07   0.368% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  20.98 +/- 3.59   0.175% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  20.22 +/- 4.69   0.179% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.48 +/- 3.67   0.108% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  24.40 +/- 6.16   0.189% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  21.16 +/- 3.47   0.117% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  19.26 +/- 3.38   0.236% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  21.63 +/- 3.87   0.120% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.5, residual support = 92.5:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.28 +/- 0.03  92.098% * 99.1144% (1.00  10.0 10.00   4.50  92.52) =  99.997%  kept
          QG    GLU-  14 - HG3   GLU-  29  14.41 +/- 5.12   3.985% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HG3   GLU-  29  15.20 +/- 4.45   2.564% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   90 - HG3   GLU-  29  23.94 +/- 3.48   0.097% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  15.43 +/- 1.94   0.367% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  18.55 +/- 3.04   0.223% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  20.37 +/- 4.79   0.237% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  25.62 +/- 4.47   0.103% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  24.76 +/- 2.80   0.090% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  28.07 +/- 2.94   0.057% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  18.83 +/- 1.74   0.178% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 92.5:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00  99.533% * 99.6674% (1.00  10.0 10.00   4.19  92.52) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  20.63 +/- 6.81   0.132% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  22.15 +/- 4.84   0.104% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  21.73 +/- 2.34   0.058% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  25.42 +/- 4.93   0.058% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  20.60 +/- 3.33   0.079% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  25.06 +/- 1.59   0.036% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.2:
    * O T QG    GLN   17 - HB3   GLN   17   2.41 +/- 0.13  94.453% * 98.5118% (0.76  10.0 10.00   4.31  85.22) =  99.979%  kept
        T HB    VAL   70 - HB3   GLN   17  11.33 +/- 3.10   1.450% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.017%
          HB2   MET   96 - HB3   GLN   17  18.50 +/- 3.89   1.022% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB3   GLN   17  17.07 +/- 3.97   1.416% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   GLN   17  19.91 +/- 6.06   0.952% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   GLN   17  16.32 +/- 4.55   0.513% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.47 +/- 3.17   0.194% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.99, residual support = 85.1:
    * O T HA    GLN   17 - HB3   GLN   17   2.83 +/- 0.19  67.843% * 98.6713% (1.00  10.0 10.00   4.00  85.22) =  99.807%  kept
          HA    GLU-  15 - HB3   GLN   17   5.43 +/- 0.70  12.752% *  0.9276% (0.57   1.0  1.00   0.33   0.02) =   0.176%  kept
          HA    SER   13 - HB3   GLN   17   8.40 +/- 2.34  15.241% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.013%
          HA    SER   37 - HB3   GLN   17  16.01 +/- 3.25   0.826% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   17  14.55 +/- 3.65   1.176% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   GLN   17  14.50 +/- 3.18   1.317% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   GLN   17  17.38 +/- 3.35   0.597% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  19.95 +/- 3.99   0.248% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 85.0:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  87.575% * 89.6239% (1.00  10.0 10.00   4.17  85.22) =  99.726%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.38 +/- 0.69   2.071% *  8.9127% (1.00   1.0 10.00   0.20   0.02) =   0.235%  kept
        T HB3   PRO   68 - HB3   GLN   17  12.62 +/- 5.17   2.220% *  0.7177% (0.80   1.0 10.00   0.02   0.02) =   0.020%
        T HG3   GLN   30 - HB3   GLN   17  10.06 +/- 2.49   3.683% *  0.3685% (0.41   1.0 10.00   0.02   0.02) =   0.017%
          HB    ILE   19 - HB3   GLN   17   7.29 +/- 0.91   1.437% *  0.0507% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HB3   GLN   17  17.74 +/- 4.12   0.693% *  0.0848% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB3   GLN   17  13.27 +/- 4.10   0.663% *  0.0436% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  11.41 +/- 2.68   1.186% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  20.74 +/- 6.16   0.348% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  28.11 +/- 3.76   0.028% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  24.08 +/- 2.53   0.039% *  0.0580% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  21.81 +/- 3.32   0.058% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2202 (1.92, 1.92, 30.50 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  14 - HB3   GLU-  14  (1.00)  kept
          HG3   MET   11 - HG3   MET   11  (0.34)  kept
 
    Peak 2204 (1.92, 4.31, 56.62 ppm):
    12 chemical-shift based assignments, quality = 0.853, support = 3.2, residual support = 45.5:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.77 +/- 0.19  52.474% * 72.0932% (1.00  10.0 10.00   2.96  44.66) =  76.626%  kept
      O T HG3   MET   11 - HA    MET   11   3.07 +/- 0.63  43.070% * 26.7625% (0.37  10.0 10.00   4.00  48.29) =  23.348%  kept
        T HG3   MET   11 - HA    GLU-  14  11.40 +/- 1.28   0.925% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   GLU-  14 - HA    MET   11  10.41 +/- 1.57   2.226% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.013%
          HB2   LEU   40 - HA    GLU-  14  15.35 +/- 3.29   0.531% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.22 +/- 4.01   0.215% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.37 +/- 4.27   0.161% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.65 +/- 4.28   0.185% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.91 +/- 5.17   0.067% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.79 +/- 5.67   0.071% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.81 +/- 3.16   0.048% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.88 +/- 4.81   0.029% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 61.3:
    * O T HB2   MET   92 - HA    MET   92   2.82 +/- 0.24  87.080% * 99.5277% (1.00  10.0 10.00   3.87  61.29) =  99.994%  kept
          HB    ILE   56 - HA    MET   92  12.77 +/- 4.30   3.257% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  81 - HA    MET   92  11.31 +/- 4.05   3.818% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    MET   92   8.50 +/- 0.68   3.521% *  0.0197% (0.20   1.0  1.00   0.02   0.11) =   0.001%
          HB3   PRO   58 - HA    MET   92  17.15 +/- 3.28   0.538% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    MET   92  12.55 +/- 0.89   1.103% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  21.85 +/- 2.26   0.221% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  27.89 +/- 3.09   0.117% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  23.76 +/- 1.85   0.159% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  36.25 +/- 5.37   0.077% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  28.64 +/- 3.97   0.110% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 4.24, residual support = 59.5:
    * O T HB3   MET   92 - HA    MET   92   2.82 +/- 0.18  79.616% * 83.8384% (1.00  10.0 10.00   4.22  61.29) =  97.020%  kept
          HG3   PRO   93 - HA    MET   92   5.39 +/- 0.68  13.164% * 15.5435% (0.76   1.0  1.00   4.85   1.86) =   2.974%  kept
          HD2   LYS+ 111 - HA    MET   92  13.02 +/- 3.56   1.898% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HA    MET   92  12.90 +/- 1.15   0.951% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    MET   92  10.81 +/- 3.29   3.126% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    MET   92  17.57 +/- 2.82   0.464% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    MET   92  25.64 +/- 3.27   0.188% *  0.1867% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    MET   92  21.74 +/- 1.99   0.246% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  22.92 +/- 1.99   0.156% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.82 +/- 1.80   0.191% *  0.0475% (0.57   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 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 +/- 0.52  77.025% * 99.5593% (1.00  10.0 10.00   2.49  61.29) =  99.979%  kept
          HG2   PRO   52 - HA    MET   92   9.56 +/- 5.34  18.901% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.016%
          QG    GLU- 114 - HA    MET   92  11.63 +/- 2.26   2.136% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    MET   92  13.35 +/- 3.86   1.648% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HA    MET   92  30.23 +/- 2.56   0.085% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  26.19 +/- 3.40   0.137% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  31.35 +/- 4.09   0.068% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.10 A, kept.
 
    Peak 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   3.09 +/- 0.70  82.992% * 99.3565% (1.00  10.0 10.00   3.97  61.29) =  99.986%  kept
        T HB2   ASP-  44 - HA    MET   92  11.49 +/- 1.58   2.549% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.006%
          QG    GLN   90 - HA    MET   92   7.49 +/- 0.77   8.721% *  0.0339% (0.34   1.0  1.00   0.02   0.11) =   0.004%
          HB3   ASP-  76 - HA    MET   92  12.77 +/- 3.79   2.587% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    MET   92  15.72 +/- 1.85   1.009% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    MET   92  16.99 +/- 1.26   0.697% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    MET   92  25.49 +/- 2.45   0.207% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.90 +/- 2.27   0.618% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  26.50 +/- 2.71   0.176% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  25.03 +/- 3.24   0.229% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  25.52 +/- 3.90   0.215% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.922, support = 1.89, residual support = 5.88:
          HB    VAL  108 - QB    LYS+ 106   4.33 +/- 0.18  71.321% * 79.9070% (0.92  1.00   1.90   5.93) =  99.183%  kept
          HB    ILE  119 - QB    LYS+ 106  12.66 +/- 2.51   3.604% *  7.0389% (1.00  1.00   0.15   0.02) =   0.442%  kept
        T HB2   GLN   30 - QB    LYS+ 106  17.02 +/- 1.77   1.288% *  9.0958% (1.00 10.00   0.02   0.02) =   0.204%  kept
          HB2   PRO   93 - QB    LYS+ 106  10.44 +/- 0.93   5.541% *  0.5150% (0.57  1.00   0.02   0.02) =   0.050%
          HB2   LYS+ 111 - QB    LYS+ 106  11.95 +/- 2.57  10.273% *  0.2025% (0.22  1.00   0.02   0.02) =   0.036%
          HB3   GLU- 100 - QB    LYS+ 106  14.42 +/- 0.86   2.021% *  0.9015% (0.99  1.00   0.02   0.02) =   0.032%
          HB2   ARG+  54 - QB    LYS+ 106  17.42 +/- 2.88   1.912% *  0.7890% (0.87  1.00   0.02   0.02) =   0.026%
          HG3   GLN   30 - QB    LYS+ 106  17.99 +/- 1.80   1.080% *  0.7890% (0.87  1.00   0.02   0.02) =   0.015%
          HB3   PRO   68 - QB    LYS+ 106  19.56 +/- 2.79   0.982% *  0.4427% (0.49  1.00   0.02   0.02) =   0.008%
          HB2   GLN   17 - QB    LYS+ 106  20.59 +/- 3.31   1.150% *  0.1593% (0.18  1.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - QB    LYS+ 106  20.60 +/- 2.60   0.828% *  0.1593% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 0 structures by 0.90 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.5:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.02  98.177% * 99.8873% (0.76  10.0   4.64  26.47) =  99.999%  kept
          HN    HIS   22 - HA    VAL   75   9.75 +/- 2.28   1.580% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - HA    VAL   75  16.70 +/- 1.45   0.243% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.22, residual support = 82.7:
      O   HN    VAL   75 - HA    VAL   75   2.91 +/- 0.02  93.561% * 93.1628% (0.90  10.0   5.24  83.13) =  99.497%  kept
          HN    ASP-  78 - HA    VAL   75   7.15 +/- 0.26   6.439% *  6.8372% (0.95   1.0   1.39   0.31) =   0.503%  kept
    Distance limit 3.75 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 = 0.465, support = 0.726, residual support = 17.0:
          HA    PHE   45 - HB    VAL   75   5.62 +/- 3.91  62.435% * 89.9031% (0.45   0.75  17.53) =  96.701%  kept
          HA    VAL   41 - HB    VAL   75   9.82 +/- 1.96  26.994% *  5.1606% (0.97   0.02   0.02) =   2.400%  kept
          HA    HIS  122 - HB    VAL   75  17.40 +/- 3.46  10.571% *  4.9363% (0.92   0.02   0.02) =   0.899%  kept
    Distance limit 3.71 A violated in 3 structures by 1.10 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.13, residual support = 17.5:
          QD    PHE   45 - HB    VAL   75   5.30 +/- 3.32  78.355% * 98.5765% (0.87   2.13  17.53) =  99.797%  kept
          HD2   HIS  122 - HB    VAL   75  15.02 +/- 2.56  17.607% *  0.7331% (0.69   0.02   0.02) =   0.167%  kept
          HE22  GLN  116 - HB    VAL   75  19.82 +/- 2.39   4.038% *  0.6904% (0.65   0.02   0.02) =   0.036%
    Distance limit 3.78 A violated in 4 structures by 1.38 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.793, support = 0.02, residual support = 1.72:
        T HZ    PHE   72 - HB    VAL   75   6.24 +/- 0.84  66.784% * 97.5882% (0.80 10.00   0.02   1.72) =  98.786%  kept
          HZ2   TRP   27 - HB    VAL   75  10.08 +/- 3.13  33.216% *  2.4118% (0.20  1.00   0.02   1.38) =   1.214%  kept
    Distance limit 4.14 A violated in 15 structures by 1.82 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.99, support = 4.45, residual support = 83.0:
      O   HN    VAL   75 - HB    VAL   75   2.42 +/- 0.41  96.814% * 97.2951% (0.99  10.0   4.45  83.13) =  99.909%  kept
          HN    ASP-  78 - HB    VAL   75   8.29 +/- 0.37   3.186% *  2.7049% (0.65   1.0   0.85   0.31) =   0.091%
    Distance limit 3.29 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 = 0.361, support = 2.42, residual support = 16.5:
        T QE    PHE   45 - QG1   VAL   75   4.31 +/- 2.93  56.654% * 84.9635% (0.34 10.00   2.52  17.53) =  93.492%  kept
          QD    PHE   72 - QG1   VAL   75   5.82 +/- 1.15  24.846% *  8.9617% (0.53  1.00   1.37   1.72) =   4.325%  kept
          HZ    PHE   72 - QG1   VAL   75   6.66 +/- 0.86  18.499% *  6.0748% (0.90  1.00   0.54   1.72) =   2.183%  kept
    Distance limit 3.32 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 3.1, residual support = 17.5:
          QD    PHE   45 - QG1   VAL   75   3.73 +/- 3.16  78.221% * 99.5822% (1.00   3.10  17.53) =  99.940%  kept
          HD2   HIS  122 - QG1   VAL   75  13.37 +/- 2.17  18.064% *  0.2193% (0.34   0.02   0.02) =   0.051%
          HE22  GLN  116 - QG1   VAL   75  17.03 +/- 2.15   3.715% *  0.1985% (0.31   0.02   0.02) =   0.009%
    Distance limit 3.40 A violated in 4 structures by 1.14 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.903, support = 4.9, residual support = 73.5:
          HN    VAL   75 - QG1   VAL   75   3.54 +/- 0.24  78.144% * 68.0167% (0.90   5.24  83.13) =  88.377%  kept
          HN    ASP-  78 - QG1   VAL   75   5.49 +/- 0.42  21.856% * 31.9833% (0.95   2.34   0.31) =  11.623%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 26.5:
          HN    ASP-  76 - QG1   VAL   75   2.99 +/- 0.25  95.721% * 99.1032% (0.41   4.97  26.47) =  99.983%  kept
          HN    VAL  108 - QG1   VAL   75  12.79 +/- 1.43   1.458% *  0.7048% (0.73   0.02   0.02) =   0.011%
          HN    HIS   22 - QG1   VAL   75  10.11 +/- 1.25   2.821% *  0.1921% (0.20   0.02   0.02) =   0.006%
    Distance limit 3.45 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 = 0.688, support = 0.02, residual support = 1.22:
          HB2   CYS   21 - QG2   VAL   75   7.21 +/- 2.31  61.441% * 67.1992% (0.76   0.02   1.40) =  86.905%  kept
          QE    LYS+  81 - QG2   VAL   75  10.85 +/- 1.60  24.409% * 15.3994% (0.18   0.02   0.02) =   7.912%  kept
          QE    LYS+ 111 - QG2   VAL   75  15.79 +/- 2.98  14.151% * 17.4014% (0.20   0.02   0.02) =   5.183%  kept
    Distance limit 3.70 A violated in 15 structures by 3.11 A, eliminated.
    Peak unassigned.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.638, support = 0.75, residual support = 11.1:
          HZ    PHE   45 - QG2   VAL   75   6.47 +/- 3.66  46.962% * 63.0260% (0.76   0.75  17.53) =  60.149%  kept
          HZ3   TRP   27 - QG2   VAL   75   6.08 +/- 2.77  53.038% * 36.9740% (0.45   0.75   1.38) =  39.851%  kept
    Distance limit 3.40 A violated in 6 structures by 1.32 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.947, support = 1.82, residual support = 12.9:
          QE    PHE   45 - QG2   VAL   75   5.01 +/- 3.30  43.668% * 65.1105% (0.97   2.21  17.53) =  70.688%  kept
          QD    PHE   72 - QG2   VAL   75   4.47 +/- 1.23  40.132% * 25.6472% (1.00   0.84   1.72) =  25.590%  kept
          HZ    PHE   72 - QG2   VAL   75   6.26 +/- 0.73  16.200% *  9.2423% (0.25   1.21   1.72) =   3.723%  kept
    Distance limit 3.87 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.788, support = 0.632, residual support = 1.29:
          HE3   TRP   27 - QG2   VAL   75   6.10 +/- 2.75  35.981% * 81.8114% (0.80   0.67   1.38) =  93.026%  kept
          HD2   HIS   22 - QG2   VAL   75   9.59 +/- 1.83  13.125% *  6.7282% (0.20   0.22   0.02) =   2.791%  kept
          QE    PHE   95 - QG2   VAL   75   7.91 +/- 2.35  23.206% *  2.9811% (0.98   0.02   0.02) =   2.186%  kept
          HN    THR   23 - QG2   VAL   75   8.60 +/- 1.91  10.311% *  2.9351% (0.97   0.02   0.02) =   0.956%  kept
          HN    LEU   67 - QG2   VAL   75   9.76 +/- 1.02  11.341% *  1.9674% (0.65   0.02   0.02) =   0.705%  kept
          QD    PHE   55 - QG2   VAL   75  13.13 +/- 2.49   2.908% *  2.6381% (0.87   0.02   0.02) =   0.242%  kept
          HD1   TRP   49 - QG2   VAL   75  12.69 +/- 2.54   3.128% *  0.9387% (0.31   0.02   0.02) =   0.093%
    Distance limit 3.59 A violated in 5 structures by 0.95 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 4.92, residual support = 81.5:
          HN    VAL   75 - QG2   VAL   75   2.92 +/- 0.43  92.491% * 79.9349% (0.90   4.99  83.13) =  98.003%  kept
          HN    ASP-  78 - QG2   VAL   75   7.24 +/- 0.72   7.509% * 20.0651% (0.95   1.19   0.31) =   1.997%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 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   5.86 +/- 2.28  86.374% * 48.3894% (0.61   0.02   0.02) =  85.598%  kept
          HN    VAL  108 - QG2   VAL   75  13.60 +/- 2.02  13.626% * 51.6106% (0.65   0.02   0.02) =  14.402%  kept
    Distance limit 4.03 A violated in 7 structures by 1.79 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.71, residual support = 35.7:
      O   HN    ASP-  76 - HB3   ASP-  76   3.09 +/- 0.52  99.444% * 99.4520% (0.15  10.0   3.71  35.71) =  99.997%  kept
          HN    VAL  108 - HB3   ASP-  76  18.50 +/- 1.56   0.556% *  0.5480% (0.84   1.0   0.02   0.02) =   0.003%
    Distance limit 3.39 A violated in 0 structures by 0.09 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   2.73 +/- 0.35  92.027% * 99.6604% (0.41  10.0   3.67  35.71) =  99.997%  kept
          HN    HIS   22 - HB2   ASP-  76  11.19 +/- 3.21   2.249% *  0.0480% (0.20   1.0   0.02   0.02) =   0.001%
          HN    VAL  108 - HB2   ASP-  76  18.28 +/- 1.70   0.422% *  0.1760% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ASP-  76 - QE    LYS+  66  15.25 +/- 3.13   1.115% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  18.32 +/- 3.80   0.573% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  15.77 +/- 2.57   0.882% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  11.86 +/- 2.13   1.743% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  17.54 +/- 3.80   0.780% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.55 +/- 2.60   0.208% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.378, support = 0.6, residual support = 0.592:
          HN    LEU   80 - HA    THR   77   4.94 +/- 1.54  78.452% * 88.1611% (0.38   0.61   0.60) =  98.765%  kept
          HN    CYS   53 - HA    THR   77  14.51 +/- 3.93  10.668% *  4.6887% (0.61   0.02   0.02) =   0.714%  kept
          HN    THR   26 - HA    THR   77  16.79 +/- 3.22   4.587% *  5.0008% (0.65   0.02   0.02) =   0.328%  kept
          HN    ALA   34 - HA    THR   77  19.51 +/- 4.21   6.293% *  2.1493% (0.28   0.02   0.02) =   0.193%  kept
    Distance limit 3.65 A violated in 7 structures by 1.34 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 = 4.7, residual support = 28.1:
      O   HN    ASP-  78 - HA    THR   77   3.52 +/- 0.07  91.742% * 91.7512% (0.65  10.0   4.73  28.32) =  99.197%  kept
          HN    VAL   75 - HA    THR   77   7.87 +/- 0.26   8.258% *  8.2488% (0.99   1.0   1.17   0.72) =   0.803%  kept
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.03, residual support = 37.5:
      O   HN    THR   77 - HA    THR   77   2.81 +/- 0.06 100.000% *100.0000% (0.53  10.0   4.03  37.46) = 100.000%  kept
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.14, residual support = 10.2:
        T QD    PHE   45 - QG2   THR   77   4.76 +/- 3.90 100.000% *100.0000% (0.80 10.00   3.14  10.19) = 100.000%  kept
    Distance limit 3.23 A violated in 4 structures by 1.80 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 3.61, residual support = 10.8:
          HN    THR   46 - QG2   THR   77   5.07 +/- 4.62  56.209% * 98.1749% (0.87   3.62  10.89) =  99.589%  kept
          HN    LYS+  74 - QG2   THR   77   9.51 +/- 0.93  23.900% *  0.6128% (0.98   0.02   0.02) =   0.264%  kept
          HN    MET   92 - QG2   THR   77   8.93 +/- 5.11  12.452% *  0.4294% (0.69   0.02   0.02) =   0.097%
          HN    LYS+ 112 - QG2   THR   77  13.79 +/- 4.09   4.838% *  0.3289% (0.53   0.02   0.02) =   0.029%
          HN    MET   11 - QG2   THR   77  25.45 +/- 5.06   2.601% *  0.4540% (0.73   0.02   0.02) =   0.021%
    Distance limit 3.46 A violated in 4 structures by 1.27 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.03, residual support = 37.5:
          HN    THR   77 - QG2   THR   77   2.15 +/- 0.37 100.000% *100.0000% (0.87   4.03  37.46) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.615, support = 1.64, residual support = 6.26:
          HA    ALA   20 - HB2   LYS+  74   5.31 +/- 4.76  74.391% * 77.3123% (0.61   1.76   6.87) =  90.825%  kept
          HA    LEU   71 - HB2   LYS+  74   9.52 +/- 1.89  25.609% * 22.6877% (0.64   0.49   0.19) =   9.175%  kept
    Distance limit 3.80 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.769, support = 2.31, residual support = 6.06:
          HA    ALA   20 - HB3   LYS+  74   5.25 +/- 4.37  74.522% * 71.2364% (0.76   2.50   6.87) =  87.870%  kept
          HA    LEU   71 - HB3   LYS+  74   9.87 +/- 2.29  25.478% * 28.7636% (0.80   0.96   0.19) =  12.130%  kept
    Distance limit 3.72 A violated in 0 structures by 0.45 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 186.8:
      O   HA    LYS+  74 - HB3   LYS+  74   2.84 +/- 0.20  98.284% * 99.8966% (0.80  10.0   6.20 186.80) =  99.999%  kept
          HA    THR   94 - HB3   LYS+  74  14.15 +/- 1.77   0.924% *  0.0757% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   LYS+  74  15.99 +/- 3.10   0.792% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.56 +/- 0.21  99.672% * 99.9221% (0.49  10.0 10.00   5.98 132.33) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.20 +/- 2.50   0.328% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2257 (1.71, 1.36, 34.10 ppm):
    8 chemical-shift based assignments, quality = 0.42, support = 1.72, residual support = 1.76:
          HB3   MET   92 - HB3   PRO   93   4.68 +/- 0.55  39.724% * 75.0741% (0.41  1.00   1.81   1.86) =  94.652%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.87 +/- 3.33  12.050% *  6.2114% (0.31 10.00   0.02   0.02) =   2.376%  kept
          QG1   ILE   56 - HB3   PRO   93   6.61 +/- 3.32  35.867% *  1.8048% (0.90  1.00   0.02   0.02) =   2.055%  kept
        T HB2   LEU   73 - HB3   PRO   93  15.33 +/- 2.69   1.568% * 11.3936% (0.57 10.00   0.02   0.02) =   0.567%  kept
          HB    ILE   89 - HB3   PRO   93   9.75 +/- 1.49   7.199% *  0.7553% (0.38  1.00   0.02   0.02) =   0.173%  kept
          QD    LYS+ 106 - HB3   PRO   93  11.61 +/- 1.11   2.329% *  1.5380% (0.76  1.00   0.02   0.02) =   0.114%  kept
          QD    LYS+  99 - HB3   PRO   93  19.10 +/- 1.65   0.650% *  1.6114% (0.80  1.00   0.02   0.02) =   0.033%
          HB3   LYS+  99 - HB3   PRO   93  20.03 +/- 2.00   0.614% *  1.6114% (0.80  1.00   0.02   0.02) =   0.031%
    Distance limit 3.44 A violated in 0 structures by 0.51 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  95.613% * 99.4465% (0.80  10.0   6.01 132.33) =  99.997%  kept
          HG3   PRO   52 - HB3   PRO   93   9.61 +/- 3.39   1.579% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HB3   PRO   93  11.18 +/- 3.47   0.790% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HB3   PRO   93  11.19 +/- 3.02   0.683% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93  10.65 +/- 2.47   0.799% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.63 +/- 2.85   0.349% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  26.30 +/- 2.82   0.032% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.48 +/- 2.46   0.094% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  33.72 +/- 4.28   0.018% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.49 +/- 2.33   0.043% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.12, residual support = 132.3:
      O   HA    PRO   93 - HB3   PRO   93   2.47 +/- 0.21 100.000% *100.0000% (0.92  10.0   5.12 132.33) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.105:
          QD    PHE   45 - HB3   PRO   93   6.81 +/- 1.36 100.000% *100.0000% (0.76   0.02   0.11) = 100.000%  kept
    Distance limit 4.13 A violated in 18 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 = 2.04, residual support = 14.0:
          QD1   ILE   19 - HG2   GLN   30   4.20 +/- 1.53  57.431% * 80.8244% (0.95   2.13  14.81) =  94.280%  kept
          QG2   VAL   18 - HG2   GLN   30   8.69 +/- 2.01  15.977% * 16.7939% (0.90   0.47   0.02) =   5.450%  kept
          QG1   VAL   41 - HG2   GLN   30   8.46 +/- 2.71  14.621% *  0.3898% (0.49   0.02   0.02) =   0.116%  kept
          QG1   VAL   43 - HG2   GLN   30  10.99 +/- 2.84   6.270% *  0.5501% (0.69   0.02   0.02) =   0.070%
          QG2   THR   46 - HG2   GLN   30  14.74 +/- 2.13   3.244% *  0.7729% (0.97   0.02   0.02) =   0.051%
          QD2   LEU  104 - HG2   GLN   30  15.02 +/- 2.71   2.456% *  0.6689% (0.84   0.02   0.02) =   0.033%
    Distance limit 3.84 A violated in 4 structures by 0.62 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.604, support = 0.747, residual support = 4.87:
        T QG2   THR   26 - HG2   GLN   30   3.33 +/- 0.68  71.757% * 87.3618% (0.61 10.00   0.75   4.89) =  99.631%  kept
        T QD    LYS+  66 - HG2   GLN   30  15.95 +/- 3.42   1.621% *  3.8324% (1.00 10.00   0.02   0.02) =   0.099%
        T HD3   LYS+  74 - HG2   GLN   30  12.94 +/- 2.70   2.489% *  2.1746% (0.57 10.00   0.02   0.02) =   0.086%
          HG2   LYS+  65 - HG2   GLN   30  14.90 +/- 4.06  16.524% *  0.2638% (0.69  1.00   0.02   0.02) =   0.069%
        T HD2   LYS+ 121 - HG2   GLN   30  21.47 +/- 5.49   1.362% *  2.9354% (0.76 10.00   0.02   0.02) =   0.064%
        T HB3   LYS+ 121 - HG2   GLN   30  22.08 +/- 5.42   0.843% *  2.7891% (0.73 10.00   0.02   0.02) =   0.037%
          HB2   LYS+  74 - HG2   GLN   30  10.58 +/- 2.52   4.101% *  0.1310% (0.34  1.00   0.02   0.02) =   0.009%
          HG    LEU  104 - HG2   GLN   30  18.24 +/- 3.56   1.097% *  0.2789% (0.73  1.00   0.02   0.02) =   0.005%
          HB3   LYS+ 111 - HG2   GLN   30  26.94 +/- 4.10   0.206% *  0.2330% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.03, residual support = 237.9:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.67 +/- 0.25  94.913% * 99.8036% (0.95  10.0 10.00   7.03 237.94) =  99.995%  kept
          QB    ALA   47 - HB3   LYS+ 112  11.11 +/- 2.90   3.706% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   42 - HB3   LYS+ 112  13.41 +/- 2.35   1.382% *  0.1018% (0.97   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 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.51, residual support = 237.9:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.76 +/- 0.26  94.846% * 99.8561% (0.73  10.0 10.00   6.51 237.94) =  99.998%  kept
          HB    THR   46 - HB3   LYS+ 112  12.43 +/- 3.77   4.377% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB3   LYS+ 112  16.28 +/- 1.33   0.494% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  24.78 +/- 5.68   0.282% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.99, residual support = 237.9:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.42 +/- 0.52  97.265% * 99.7523% (0.97  10.0   5.99 237.94) =  99.999%  kept
          HN    THR   46 - HB3   LYS+ 112  13.95 +/- 3.14   1.012% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  19.88 +/- 3.79   0.372% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  12.46 +/- 3.15   1.295% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  37.77 +/- 5.52   0.056% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.73, residual support = 237.9:
      O   HN    LYS+ 112 - HB2   LYS+ 112   3.06 +/- 0.57  87.100% * 99.6310% (0.84  10.0   5.73 237.94) =  99.994%  kept
          HN    LYS+  74 - HB    VAL   42   9.18 +/- 1.63   8.648% *  0.0310% (0.26   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 112 - HB    VAL   42  17.99 +/- 2.99   0.956% *  0.0840% (0.70   1.0   0.02   0.02) =   0.001%
          HN    ASP-  78 - HB2   LYS+ 112  19.21 +/- 4.22   0.982% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  15.89 +/- 1.72   1.048% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  19.70 +/- 3.71   0.944% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  25.21 +/- 4.41   0.250% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  37.47 +/- 5.15   0.071% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.831, support = 2.42, residual support = 4.32:
          HA    PHE   72 - HB    VAL   42   5.38 +/- 2.23  62.769% * 93.7139% (0.85   2.48   4.45) =  97.112%  kept
          HA    MET   96 - HB    VAL   42   8.86 +/- 2.09  30.785% *  5.6309% (0.19   0.66   0.02) =   2.862%  kept
          HA    PHE   72 - HB2   LYS+ 112  20.33 +/- 3.44   2.014% *  0.5339% (0.60   0.02   0.02) =   0.018%
          HA    MET   96 - HB2   LYS+ 112  14.98 +/- 2.04   4.431% *  0.1213% (0.14   0.02   0.02) =   0.009%
    Distance limit 3.81 A violated in 10 structures by 1.50 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.05, residual support = 85.1:
      O   HN    VAL   42 - HB    VAL   42   2.88 +/- 0.42  70.259% * 85.9724% (0.80  10.0   6.21  89.61) =  94.951%  kept
          HN    LEU   73 - HB    VAL   42   6.06 +/- 1.84  23.327% * 13.7593% (0.80   1.0   3.20   1.04) =   5.045%  kept
          HN    LYS+ 106 - HB    VAL   42  11.97 +/- 2.50   1.850% *  0.0602% (0.56   1.0   0.02   0.02) =   0.002%
          HN    ILE   19 - HB    VAL   42  10.42 +/- 3.39   2.851% *  0.0259% (0.24   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB2   LYS+ 112  14.76 +/- 1.02   0.659% *  0.0425% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  19.52 +/- 3.36   0.410% *  0.0607% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  19.33 +/- 2.76   0.348% *  0.0607% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  22.09 +/- 2.96   0.296% *  0.0183% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.569, support = 1.83, residual support = 3.8:
          QD    PHE   60 - HB    VAL   42   7.72 +/- 2.17  23.008% * 72.0526% (0.66   2.13   4.68) =  78.364%  kept
          QD    PHE   55 - HB2   LYS+ 112   5.43 +/- 3.69  49.256% *  5.4532% (0.12   0.88   1.02) =  12.697%  kept
          QD    PHE   60 - HB2   LYS+ 112  11.06 +/- 2.95  12.959% *  9.7551% (0.47   0.41   0.02) =   5.976%  kept
          HE3   TRP   27 - HB    VAL   42   9.39 +/- 1.52   5.736% * 10.4925% (0.22   0.95   0.02) =   2.845%  kept
          HN    LYS+  66 - HB    VAL   42  10.02 +/- 2.08   4.625% *  0.2460% (0.24   0.02   0.02) =   0.054%
          HN    LYS+  81 - HB    VAL   42  18.26 +/- 2.12   0.605% *  0.8771% (0.86   0.02   0.02) =   0.025%
          HN    LYS+  66 - HB2   LYS+ 112  17.13 +/- 3.05   1.628% *  0.1736% (0.17   0.02   0.02) =   0.013%
          HN    LYS+  81 - HB2   LYS+ 112  22.59 +/- 3.38   0.442% *  0.6190% (0.61   0.02   0.02) =   0.013%
          QD    PHE   55 - HB    VAL   42  15.70 +/- 2.41   1.291% *  0.1751% (0.17   0.02   0.02) =   0.011%
          HE3   TRP   27 - HB2   LYS+ 112  21.81 +/- 3.48   0.450% *  0.1557% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.02 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.485, support = 0.845, residual support = 4.44:
        T QD    PHE   72 - HB    VAL   42   4.14 +/- 1.21  58.678% * 80.4091% (0.46 10.00   0.82   4.45) =  90.955%  kept
          HZ    PHE   72 - HB    VAL   42   6.23 +/- 2.16  26.208% * 17.7618% (0.78  1.00   1.07   4.45) =   8.974%  kept
        T QD    PHE   72 - HB2   LYS+ 112  16.30 +/- 2.72   1.387% *  1.3782% (0.32 10.00   0.02   0.02) =   0.037%
          QE    PHE   45 - HB    VAL   42   8.76 +/- 1.19   9.476% *  0.1266% (0.30  1.00   0.02   0.02) =   0.023%
          HZ    PHE   72 - HB2   LYS+ 112  16.87 +/- 3.67   1.600% *  0.2349% (0.55  1.00   0.02   0.02) =   0.007%
          QE    PHE   45 - HB2   LYS+ 112  14.85 +/- 2.75   2.651% *  0.0894% (0.21  1.00   0.02   0.02) =   0.005%
    Distance limit 3.94 A violated in 4 structures by 0.49 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   2.60 +/- 0.19  98.668% * 99.2681% (0.14  10.0   2.86  15.43) =  99.990%  kept
          HN    LEU   40 - HA1   GLY  101  13.59 +/- 5.14   1.332% *  0.7319% (1.00   1.0   0.02   0.02) =   0.010%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.86 +/- 0.16  98.323% * 99.7871% (0.38  10.0   2.86  15.43) =  99.996%  kept
          HN    LEU   40 - HA2   GLY  101  14.17 +/- 5.20   1.677% *  0.2129% (0.80   1.0   0.02   0.02) =   0.004%
    Distance limit 3.25 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 = 5.18:
      O   HN    SER   13 - HA    ALA   12   2.46 +/- 0.21  98.445% * 99.9814% (0.84  10.0   1.72   5.18) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  13.95 +/- 2.59   1.555% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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   2.67 +/- 0.27  99.359% * 99.8617% (0.85  10.0   2.38  12.48) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  18.98 +/- 4.29   0.453% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  28.21 +/- 4.77   0.138% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  34.33 +/- 3.42   0.050% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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   2.78 +/- 0.22  98.019% * 99.7294% (0.46  10.0   2.29  12.48) =  99.997%  kept
          HN    ASN   35 - QB    ALA   12  16.36 +/- 3.56   1.124% *  0.1891% (0.87   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - QB    ALA   12  22.33 +/- 5.56   0.489% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  23.04 +/- 4.41   0.368% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.5, residual support = 11.9:
      O   HN    ALA   12 - HA    MET   11   2.49 +/- 0.17  95.165% * 99.5700% (0.65  10.0   3.50  11.89) =  99.998%  kept
          HN    ALA   12 - HA    GLU-  14   8.30 +/- 0.89   3.018% *  0.0391% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HA    GLU-  14  15.48 +/- 2.93   1.028% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  20.65 +/- 4.85   0.402% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.64 +/- 4.05   0.203% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  30.55 +/- 5.22   0.074% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  36.67 +/- 4.25   0.036% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  28.78 +/- 2.82   0.072% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.59, residual support = 11.9:
          HN    ALA   12 - HG3   MET   11   4.21 +/- 0.46  76.057% * 98.7315% (0.97   3.59  11.89) =  99.941%  kept
          HN    ALA   12 - HB3   GLU-  14   8.52 +/- 1.52  17.803% *  0.1954% (0.34   0.02   0.02) =   0.046%
          HN    ASN   35 - HB3   GLU-  14  15.21 +/- 2.64   3.147% *  0.1146% (0.20   0.02   0.02) =   0.005%
          HN    ASN   35 - HG3   MET   11  21.78 +/- 4.72   1.104% *  0.3229% (0.57   0.02   0.02) =   0.005%
          HN    PHE   97 - HB3   GLU-  14  22.46 +/- 4.33   1.127% *  0.0833% (0.15   0.02   0.02) =   0.001%
          HN    PHE   97 - HG3   MET   11  31.51 +/- 5.64   0.327% *  0.2345% (0.41   0.02   0.02) =   0.001%
          HN    LEU  115 - HG3   MET   11  37.39 +/- 4.54   0.146% *  0.2345% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  28.99 +/- 3.65   0.289% *  0.0833% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.62:
      O   HN    GLU-  14 - HA    SER   13   2.51 +/- 0.20  85.655% * 99.1146% (0.92  10.0   2.10   6.62) =  99.991%  kept
          HN    GLU-  14 - HA    SER   37  14.48 +/- 3.85   7.645% *  0.0530% (0.49   1.0   0.02   0.02) =   0.005%
          HN    GLN   30 - HA    SER   13  15.99 +/- 3.29   0.642% *  0.0860% (0.80   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    SER   13  23.47 +/- 6.70   0.679% *  0.0780% (0.73   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HA    SER   13  17.42 +/- 4.23   1.113% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.07 +/- 2.05   0.672% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.23 +/- 1.22   0.680% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  16.94 +/- 5.72   0.580% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  16.23 +/- 3.13   0.454% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  18.77 +/- 2.87   0.375% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  24.17 +/- 5.31   0.186% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  19.73 +/- 2.12   0.212% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  21.18 +/- 4.74   0.203% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.08 +/- 1.11   0.443% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  25.26 +/- 3.61   0.112% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  29.67 +/- 5.05   0.083% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  26.38 +/- 3.20   0.088% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  21.01 +/- 2.40   0.179% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.634, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  12.28 +/- 2.46  17.612% * 21.8157% (0.99   0.02   0.02) =  33.534%  kept
          HN    ILE   19 - HA    SER   37  15.45 +/- 3.38  10.166% * 11.6574% (0.53   0.02   0.02) =  10.343%  kept
          HN    LEU   73 - HA    THR   46  13.25 +/- 1.79  13.861% *  7.5418% (0.34   0.02   0.02) =   9.123%  kept
          HN    VAL   42 - HA    SER   13  18.14 +/- 3.81   8.172% * 12.4613% (0.57   0.02   0.02) =   8.888%  kept
          HN    ILE   19 - HA    THR   46  16.55 +/- 3.37   7.608% * 13.2032% (0.60   0.02   0.02) =   8.767%  kept
          HN    VAL   42 - HA    THR   46  13.58 +/- 1.41  12.530% *  7.5418% (0.34   0.02   0.02) =   8.247%  kept
          HN    LEU   73 - HA    SER   13  16.22 +/- 3.36   7.174% * 12.4613% (0.57   0.02   0.02) =   7.802%  kept
          HN    VAL   42 - HA    SER   37  13.22 +/- 0.77  13.088% *  6.6588% (0.30   0.02   0.02) =   7.606%  kept
          HN    LEU   73 - HA    SER   37  14.66 +/- 1.51   9.789% *  6.6588% (0.30   0.02   0.02) =   5.689%  kept
    Distance limit 3.42 A violated in 20 structures by 5.71 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   2.86 +/- 0.57  93.308% * 99.5355% (0.83  10.0   3.80  29.72) =  99.996%  kept
          HN    SER   37 - QB    SER   13  13.81 +/- 3.36   2.640% *  0.0762% (0.63   1.0   0.02   0.02) =   0.002%
          HN    CYS   21 - QB    SER   13  14.07 +/- 3.47   2.506% *  0.0288% (0.24   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB3   SER   37  16.96 +/- 3.15   0.736% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  24.81 +/- 4.23   0.243% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  25.05 +/- 2.64   0.179% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  26.67 +/- 4.10   0.207% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  25.51 +/- 3.56   0.181% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.659, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  21.91 +/- 3.64  25.329% * 22.8936% (0.69   0.02   0.02) =  36.817%  kept
          HA    TRP   87 - HB3   GLU-  14  27.06 +/- 5.08  14.572% * 33.2545% (1.00   0.02   0.02) =  30.767%  kept
          HA    LEU  104 - HB3   GLU-  14  23.88 +/- 5.29  19.979% * 12.5086% (0.38   0.02   0.02) =  15.867%  kept
          HA    PHE   59 - HG3   MET   11  30.14 +/- 4.34  11.496% *  8.1279% (0.24   0.02   0.02) =   5.933%  kept
          HA    TRP   87 - HG3   MET   11  35.41 +/- 6.31   6.305% * 11.8063% (0.35   0.02   0.02) =   4.726%  kept
          HA    LEU  104 - HG3   MET   11  32.74 +/- 6.56   9.647% *  4.4409% (0.13   0.02   0.02) =   2.720%  kept
          HA    ASP- 113 - HB3   GLU-  14  31.47 +/- 3.81   8.079% *  5.1424% (0.15   0.02   0.02) =   2.638%  kept
          HA    ASP- 113 - HG3   MET   11  39.44 +/- 4.82   4.593% *  1.8257% (0.05   0.02   0.02) =   0.532%  kept
    Distance limit 3.62 A violated in 20 structures by 14.22 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.88, residual support = 44.7:
      O   HN    GLU-  14 - HB3   GLU-  14   3.24 +/- 0.39  88.110% * 99.5831% (0.92  10.0   3.88  44.66) =  99.993%  kept
          HE1   HIS  122 - HB3   GLU-  14  21.77 +/- 5.54   1.848% *  0.1069% (0.99   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLU-  14  20.73 +/- 5.75   1.441% *  0.1079% (1.00   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HB3   GLU-  14  14.14 +/- 3.30   3.623% *  0.0368% (0.34   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HG3   MET   11  10.29 +/- 0.87   3.238% *  0.0354% (0.33   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HG3   MET   11  29.55 +/- 7.29   0.475% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  27.14 +/- 4.90   0.430% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  21.23 +/- 4.45   0.540% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  30.78 +/- 6.12   0.185% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  35.05 +/- 6.06   0.111% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.88, residual support = 44.7:
      O   HN    GLU-  14 - HB2   GLU-  14   3.32 +/- 0.56  85.912% * 99.3938% (0.49  10.0   3.88  44.66) =  99.992%  kept
          HN    GLU-  14 - HG2   MET   11   9.89 +/- 0.69   4.045% *  0.0372% (0.18   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   GLU-  14  15.17 +/- 3.01   1.713% *  0.0839% (0.41   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB2   GLU-  14  20.71 +/- 6.12   0.949% *  0.1483% (0.73   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB2   GLU-  14  21.59 +/- 5.13   0.805% *  0.1321% (0.65   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ARG+  54  17.87 +/- 3.43   4.469% *  0.0194% (0.10   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HG2   MET   11  29.19 +/- 7.61   0.760% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  21.61 +/- 4.66   0.464% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  30.32 +/- 6.00   0.180% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  25.37 +/- 3.38   0.280% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  28.68 +/- 3.98   0.194% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  28.69 +/- 4.06   0.229% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.05, residual support = 5.39:
      O   HN    GLY   16 - HA    GLU-  15   2.47 +/- 0.19  97.159% * 99.5949% (0.97  10.0   2.05   5.39) =  99.998%  kept
          HN    GLY   16 - HA    LEU   40  13.16 +/- 3.81   1.243% *  0.0805% (0.78   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    LEU   40  21.28 +/- 3.80   0.246% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  25.71 +/- 5.44   0.197% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  14.97 +/- 2.63   0.670% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  22.17 +/- 2.74   0.161% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  27.36 +/- 3.12   0.090% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  25.39 +/- 5.13   0.128% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  27.26 +/- 4.33   0.108% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.68, residual support = 94.8:
      O   HN    ASN   28 - HA    ASN   28   2.72 +/- 0.04  98.927% * 99.8927% (0.84  10.0   5.68  94.83) =  99.999%  kept
          HN    ASN   69 - HA    ASN   28  17.58 +/- 3.72   1.073% *  0.1073% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.45 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 = 19.7:
        T HB2   LEU   31 - HA    ASN   28   3.63 +/- 0.35  64.577% * 92.7352% (0.38 10.00   2.56  19.75) =  99.767%  kept
          HB3   LEU   73 - HA    ASN   28   9.51 +/- 1.72   4.555% *  0.9570% (0.38  1.00   0.21   0.85) =   0.073%
        T QB    ALA   84 - HA    ASN   28  15.48 +/- 4.45   1.476% *  2.4654% (1.00 10.00   0.02   0.02) =   0.061%
        T QB    ALA  124 - HA    ASN   28  23.05 +/- 6.19   1.148% *  2.2160% (0.90 10.00   0.02   0.02) =   0.042%
          HG    LEU   98 - HA    ASN   28  13.64 +/- 4.22   3.701% *  0.2385% (0.97  1.00   0.02   0.02) =   0.015%
          HG3   LYS+ 102 - HA    ASN   28  18.98 +/- 5.79   6.032% *  0.1016% (0.41  1.00   0.02   0.02) =   0.010%
          HG3   LYS+  33 - HA    ASN   28   8.09 +/- 0.80   6.346% *  0.0616% (0.25  1.00   0.02   0.02) =   0.007%
          HB3   LEU   80 - HA    ASN   28  15.23 +/- 6.92   2.899% *  0.1300% (0.53  1.00   0.02   1.20) =   0.006%
          HB2   LEU   63 - HA    ASN   28  16.67 +/- 4.28   2.310% *  0.1598% (0.65  1.00   0.02   0.19) =   0.006%
          HB3   ASP-  44 - HA    ASN   28  15.29 +/- 1.99   1.194% *  0.1888% (0.76  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HA    ASN   28  17.87 +/- 4.50   1.972% *  0.0763% (0.31  1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    ASN   28  13.03 +/- 1.64   1.896% *  0.0763% (0.31  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HA    ASN   28  20.60 +/- 2.76   0.511% *  0.2471% (1.00  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HA    ASN   28  18.72 +/- 3.59   0.701% *  0.1499% (0.61  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    ASN   28  25.56 +/- 4.01   0.482% *  0.1203% (0.49  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASN   28  27.68 +/- 3.72   0.200% *  0.0763% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.61, support = 3.97, residual support = 19.3:
          HG    LEU   31 - HA    ASN   28   3.42 +/- 1.15  80.769% * 88.4395% (0.61   4.06  19.75) =  97.585%  kept
          QD2   LEU   73 - HA    ASN   28   7.34 +/- 1.70  17.219% * 10.2078% (0.76   0.37   0.85) =   2.401%  kept
          QD1   ILE   56 - HA    ASN   28  18.24 +/- 3.05   0.996% *  0.6931% (0.97   0.02   0.02) =   0.009%
          HG3   LYS+ 121 - HA    ASN   28  22.54 +/- 6.04   0.439% *  0.5488% (0.76   0.02   0.02) =   0.003%
          QD2   LEU  123 - HA    ASN   28  20.75 +/- 5.56   0.578% *  0.1108% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.71, residual support = 5.41:
      O   HN    GLY   16 - HA2   GLY   16   2.80 +/- 0.22  99.547% * 99.8461% (0.97  10.0   2.71   5.41) = 100.000%  kept
          HN    SER   82 - HA2   GLY   16  26.36 +/- 6.70   0.308% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA2   GLY   16  26.32 +/- 2.97   0.145% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.25, residual support = 17.7:
      O   HN    GLN   17 - HA2   GLY   16   3.45 +/- 0.08  86.644% * 99.5709% (0.65  10.0   3.26  17.69) =  99.989%  kept
          HD21  ASN   69 - HA2   GLY   16  12.59 +/- 6.97   9.008% *  0.0690% (0.45   1.0   0.02   0.02) =   0.007%
          HE3   TRP   87 - HA2   GLY   16  23.89 +/- 6.28   1.145% *  0.1232% (0.80   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HA2   GLY   16  17.29 +/- 3.43   0.916% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HA2   GLY   16  25.77 +/- 6.14   0.867% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA2   GLY   16  17.25 +/- 2.87   1.193% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  28.08 +/- 4.91   0.228% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 3.25, residual support = 17.7:
      O   HN    GLN   17 - HA1   GLY   16   3.24 +/- 0.09  84.592% * 99.5709% (0.65  10.0   3.26  17.69) =  99.987%  kept
          HD21  ASN   69 - HA1   GLY   16  11.84 +/- 7.21  10.099% *  0.0690% (0.45   1.0   0.02   0.02) =   0.008%
          HE3   TRP   87 - HA1   GLY   16  22.85 +/- 6.15   1.990% *  0.1232% (0.80   1.0   0.02   0.02) =   0.003%
          HN    TRP   87 - HA1   GLY   16  24.82 +/- 5.97   1.233% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA1   GLY   16  16.61 +/- 3.56   0.853% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA1   GLY   16  16.63 +/- 2.57   0.994% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  27.17 +/- 4.59   0.240% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 2.71, residual support = 5.41:
      O   HN    GLY   16 - HA1   GLY   16   2.38 +/- 0.21  98.307% * 99.6694% (0.57  10.0   2.71   5.41) =  99.999%  kept
          HN    SER   82 - HA1   GLY   16  25.72 +/- 6.47   0.463% *  0.1757% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA1   GLY   16  21.59 +/- 4.85   0.949% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  26.41 +/- 4.83   0.186% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA1   GLY   16  25.44 +/- 2.95   0.096% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.582, support = 4.32, residual support = 85.0:
      O T HB3   GLN   17 - QG    GLN   17   2.41 +/- 0.13  60.882% * 91.7920% (0.58  10.0 10.00   4.31  85.22) =  99.530%  kept
          HB2   LEU   71 - HB    VAL   70   6.47 +/- 0.34   3.354% *  7.0624% (0.15   1.0  1.00   5.86  34.13) =   0.422%  kept
          HB2   LEU   71 - QG    GLN   17  10.10 +/- 4.88   2.948% *  0.4484% (0.75   1.0  1.00   0.08   0.02) =   0.024%
          QB    LYS+  65 - QG    GLN   17   9.86 +/- 3.99   6.597% *  0.1159% (0.74   1.0  1.00   0.02   0.02) =   0.014%
        T HB3   GLN   17 - HB    VAL   70  11.33 +/- 3.10   0.950% *  0.1880% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HB    VAL   70   7.10 +/- 1.47  12.862% *  0.0101% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QG    GLN   17  13.62 +/- 4.48   2.861% *  0.0299% (0.19   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QG    GLN   17  10.75 +/- 2.95   1.422% *  0.0494% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QG    GLN   17  18.44 +/- 4.44   0.493% *  0.1077% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB    VAL   70   8.07 +/- 0.75   1.761% *  0.0237% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG    GLN   17  16.66 +/- 5.24   1.359% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.18 +/- 1.69   1.901% *  0.0061% (0.04   1.0  1.00   0.02   2.61) =   0.000%
          HG2   PRO   93 - QG    GLN   17  21.34 +/- 4.03   0.130% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  18.88 +/- 4.85   0.465% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  17.60 +/- 3.34   0.380% *  0.0169% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  15.91 +/- 2.33   0.267% *  0.0221% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  12.58 +/- 4.98   1.036% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  15.10 +/- 2.67   0.331% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.475, support = 5.54, residual support = 82.5:
          HN    GLN   17 - QG    GLN   17   3.38 +/- 0.56  55.618% * 88.9182% (0.49   5.60  85.22) =  95.324%  kept
          HD21  ASN   69 - HB    VAL   70   5.50 +/- 1.42  25.537% *  9.4141% (0.07   4.18  27.00) =   4.634%  kept
          HD21  ASN   69 - QG    GLN   17  12.20 +/- 3.92   3.847% *  0.2199% (0.34   0.02   0.02) =   0.016%
          HN    ALA   61 - QG    GLN   17  13.64 +/- 3.09   1.405% *  0.2388% (0.37   0.02   0.02) =   0.006%
          HN    GLN   17 - HB    VAL   70  10.86 +/- 4.20   4.830% *  0.0650% (0.10   0.02   0.02) =   0.006%
          HN    ALA   61 - HB    VAL   70  10.27 +/- 1.79   4.043% *  0.0489% (0.08   0.02   0.02) =   0.004%
          HE3   TRP   87 - QG    GLN   17  20.21 +/- 4.57   0.406% *  0.3928% (0.61   0.02   0.02) =   0.003%
          HN    TRP   27 - QG    GLN   17  13.26 +/- 2.49   1.546% *  0.0757% (0.12   0.02   0.02) =   0.002%
          HN    TRP   87 - QG    GLN   17  21.53 +/- 4.28   0.277% *  0.2388% (0.37   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    VAL   70  16.85 +/- 3.55   0.658% *  0.0805% (0.13   0.02   0.02) =   0.001%
          HN    ALA   91 - QG    GLN   17  23.21 +/- 4.00   0.211% *  0.2017% (0.31   0.02   0.02) =   0.001%
          HN    TRP   87 - HB    VAL   70  19.09 +/- 2.38   0.382% *  0.0489% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  20.35 +/- 2.72   0.369% *  0.0413% (0.06   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  15.17 +/- 2.23   0.872% *  0.0155% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.8, residual support = 50.3:
          HN    VAL   18 - QG    GLN   17   3.20 +/- 0.81  71.954% * 99.7447% (0.76   5.80  50.34) =  99.972%  kept
          HN    SER   13 - QG    GLN   17   8.30 +/- 2.00  18.179% *  0.0767% (0.17   0.02   0.02) =   0.019%
          HN    VAL   18 - HB    VAL   70  10.23 +/- 4.03   4.080% *  0.0704% (0.16   0.02   0.02) =   0.004%
          HN    GLU-  29 - QG    GLN   17  14.25 +/- 3.42   3.459% *  0.0767% (0.17   0.02   0.02) =   0.004%
          HN    GLU-  29 - HB    VAL   70  16.07 +/- 2.56   1.554% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  17.88 +/- 2.71   0.773% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.27, residual support = 85.2:
      O   HN    GLN   17 - HB3   GLN   17   3.10 +/- 0.43  89.707% * 99.5709% (0.65  10.0   5.27  85.22) =  99.991%  kept
          HE3   TRP   87 - HB3   GLN   17  22.25 +/- 4.91   2.777% *  0.1232% (0.80   1.0   0.02   0.02) =   0.004%
          HD21  ASN   69 - HB3   GLN   17  13.69 +/- 3.97   2.371% *  0.0690% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB3   GLN   17  14.85 +/- 2.75   1.365% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HB3   GLN   17  23.54 +/- 4.65   1.357% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   GLN   17  13.79 +/- 2.80   2.091% *  0.0237% (0.15   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   GLN   17  25.50 +/- 4.01   0.332% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.46, residual support = 50.3:
          HN    VAL   18 - HB3   GLN   17   3.15 +/- 0.79  84.257% * 99.8369% (1.00   5.46  50.34) =  99.985%  kept
          HN    SER   13 - HB3   GLN   17   9.48 +/- 2.29  10.163% *  0.0816% (0.22   0.02   0.02) =   0.010%
          HN    GLU-  29 - HB3   GLN   17  15.07 +/- 3.63   5.579% *  0.0816% (0.22   0.02   0.02) =   0.005%
    Distance limit 3.85 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 3.99, residual support = 85.1:
      O T HB3   GLN   17 - HA    GLN   17   2.83 +/- 0.19  71.358% * 98.1811% (0.76  10.0 10.00   4.00  85.22) =  99.864%  kept
          QB    LYS+  65 - HA    GLN   17  10.57 +/- 4.52   5.588% *  1.3650% (0.97   1.0  1.00   0.22   0.02) =   0.109%  kept
          HB2   LEU   71 - HA    GLN   17  10.38 +/- 6.37  11.428% *  0.1259% (0.98   1.0  1.00   0.02   0.02) =   0.021%
          HB    VAL   41 - HA    GLN   17  14.53 +/- 4.97   6.330% *  0.0320% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    GLN   17  11.36 +/- 3.65   2.376% *  0.0528% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HA    GLN   17  20.04 +/- 4.42   0.708% *  0.1152% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HA    GLN   17  17.95 +/- 5.30   1.268% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  22.84 +/- 4.52   0.189% *  0.0882% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.35 +/- 4.98   0.755% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.17, residual support = 85.1:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  82.431% * 94.0226% (0.18  10.0 10.00   4.17  85.22) =  99.890%  kept
        T HB3   GLN   17 - HB3   PRO   68  12.62 +/- 5.17   2.090% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.064%
        T HB3   GLN   17 - QB    GLU-  15   6.38 +/- 0.69   1.947% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.026%
          QB    LYS+  66 - HB3   PRO   68   6.76 +/- 1.61   3.721% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  65 - HB3   PRO   68   9.08 +/- 1.24   0.727% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HB3   PRO   68  10.44 +/- 1.76   0.549% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QB    GLU-  15  10.94 +/- 5.35   1.178% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB2   GLN   17  10.90 +/- 4.96   0.991% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB2   GLN   17  11.18 +/- 3.47   0.842% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   GLN   17  14.93 +/- 4.70   2.574% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QB    GLU-  15  13.97 +/- 3.16   0.250% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  22.24 +/- 4.26   0.129% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  20.25 +/- 3.34   0.082% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.77 +/- 4.13   0.181% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  12.07 +/- 2.72   0.395% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  17.43 +/- 5.54   0.355% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  14.18 +/- 3.29   0.268% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  20.72 +/- 4.57   0.114% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.53 +/- 1.87   0.148% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  14.68 +/- 3.62   0.243% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  18.71 +/- 5.55   0.238% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  17.46 +/- 4.91   0.177% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  23.82 +/- 3.96   0.044% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  25.15 +/- 3.08   0.033% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.96 +/- 3.12   0.061% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.07 +/- 5.11   0.132% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  20.34 +/- 3.93   0.098% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.1:
      O   HA    PRO   68 - HB3   PRO   68   2.41 +/- 0.19  86.669% * 99.9155% (0.19  10.0   2.96  36.08) =  99.994%  kept
          HA    PRO   68 - HB2   GLN   17  11.46 +/- 5.45  11.267% *  0.0398% (0.07   1.0   0.02   0.02) =   0.005%
          HA    PRO   68 - QB    GLU-  15  12.67 +/- 5.79   2.064% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.45, residual support = 50.3:
          HN    VAL   18 - HB2   GLN   17   3.49 +/- 0.52  58.593% * 97.9566% (0.24   5.46  50.34) =  99.816%  kept
          HN    VAL   18 - HB3   PRO   68  12.57 +/- 5.42   6.494% *  0.8997% (0.61   0.02   0.02) =   0.102%  kept
          HN    VAL   18 - QB    GLU-  15   8.25 +/- 0.48   5.082% *  0.4025% (0.27   0.02   0.02) =   0.036%
          HN    SER   13 - QB    GLU-  15   6.48 +/- 1.03  11.350% *  0.0898% (0.06   0.02   0.02) =   0.018%
          HN    SER   13 - HB2   GLN   17   9.32 +/- 2.08  12.669% *  0.0800% (0.05   0.02   0.02) =   0.018%
          HN    GLU-  29 - QB    GLU-  15  14.89 +/- 3.67   2.478% *  0.0898% (0.06   0.02   0.02) =   0.004%
          HN    SER   13 - HB3   PRO   68  17.75 +/- 4.55   1.010% *  0.2008% (0.14   0.02   0.02) =   0.004%
          HN    GLU-  29 - HB2   GLN   17  15.30 +/- 3.74   1.786% *  0.0800% (0.05   0.02   0.02) =   0.002%
          HN    GLU-  29 - HB3   PRO   68  20.47 +/- 3.91   0.537% *  0.2008% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.71 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.46, residual support = 50.3:
      O   HN    VAL   18 - HA    GLN   17   2.52 +/- 0.16  98.983% * 99.9233% (0.84  10.0   5.46  50.34) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  15.95 +/- 3.28   0.690% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  24.14 +/- 5.56   0.327% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 0.63, support = 0.02, residual support = 0.688:
        T QB    ALA   64 - HA    GLN   17   8.04 +/- 4.29  57.172% * 38.1619% (0.69 10.00   0.02   1.01) =  67.399%  kept
        T QG1   VAL   42 - HA    GLN   17  11.47 +/- 3.73  29.415% * 27.0421% (0.49 10.00   0.02   0.02) =  24.573%  kept
        T QB    ALA   47 - HA    GLN   17  18.86 +/- 4.04   7.520% * 33.6965% (0.61 10.00   0.02   0.02) =   7.828%  kept
          HG2   LYS+ 112 - HA    GLN   17  23.20 +/- 2.71   5.892% *  1.0994% (0.20  1.00   0.02   0.02) =   0.200%  kept
    Distance limit 3.11 A violated in 17 structures by 4.42 A, eliminated.
    Peak unassigned.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 76.3:
      O   HN    VAL   18 - HB    VAL   18   2.59 +/- 0.49  98.819% * 99.9233% (0.84  10.0   4.99  76.31) =  99.999%  kept
          HN    GLU-  29 - HB    VAL   18  14.60 +/- 2.12   0.772% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  21.38 +/- 5.61   0.409% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.482, residual support = 2.67:
        T HB2   PHE   72 - HA    VAL   18   7.25 +/- 4.72  49.201% * 72.2532% (0.49 10.00   0.42   1.15) =  79.365%  kept
          HA    ALA   64 - HA    VAL   18   8.52 +/- 4.46  34.333% * 26.1622% (0.98  1.00   0.75   8.74) =  20.053%  kept
        T HB3   ASN   35 - HA    VAL   18  16.45 +/- 1.72  16.466% *  1.5846% (0.22 10.00   0.02   0.02) =   0.583%  kept
    Distance limit 3.82 A violated in 6 structures by 2.55 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.727, support = 4.83, residual support = 22.5:
      O   HN    ILE   19 - HA    VAL   18   2.23 +/- 0.05  90.255% * 94.4967% (0.73  10.0   4.85  22.62) =  99.536%  kept
          HN    LEU   73 - HA    VAL   18   7.20 +/- 4.57   7.373% *  5.3542% (0.92   1.0   0.89   0.97) =   0.461%  kept
          HN    VAL   42 - HA    VAL   18  10.21 +/- 4.90   2.231% *  0.1201% (0.92   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HA    VAL   18  19.82 +/- 1.82   0.141% *  0.0290% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.615, support = 1.1, residual support = 0.912:
          HG    LEU   73 - QG1   VAL   18   7.56 +/- 3.23  17.055% * 84.9680% (0.61   1.18   0.97) =  93.261%  kept
          HG    LEU   67 - QG1   VAL   18   9.22 +/- 4.09  11.344% *  2.3645% (1.00   0.02   0.02) =   1.726%  kept
          HG    LEU   40 - QG1   VAL   18  10.72 +/- 3.12   6.558% *  2.3488% (0.99   0.02   0.02) =   0.991%  kept
          HG2   LYS+ 102 - QG1   VAL   18  18.31 +/- 4.60   7.598% *  1.7208% (0.73   0.02   0.02) =   0.841%  kept
          QB    ALA  120 - QG1   VAL   18  15.37 +/- 2.83   5.978% *  1.6278% (0.69   0.02   0.02) =   0.626%  kept
          QG    LYS+  66 - QG1   VAL   18   9.58 +/- 3.16   8.659% *  0.9743% (0.41   0.02   0.02) =   0.543%  kept
          QB    ALA   61 - QG1   VAL   18   7.41 +/- 3.53  20.252% *  0.3656% (0.15   0.02   0.87) =   0.477%  kept
          HB3   LEU   67 - QG1   VAL   18   8.73 +/- 3.67  11.338% *  0.5909% (0.25   0.02   0.02) =   0.431%  kept
          HB3   LEU  115 - QG1   VAL   18  15.23 +/- 2.02   2.753% *  2.3488% (0.99   0.02   0.02) =   0.416%  kept
          HB3   LEU   40 - QG1   VAL   18  11.92 +/- 2.94   5.495% *  1.0625% (0.45   0.02   0.02) =   0.376%  kept
          HG    LEU  115 - QG1   VAL   18  15.68 +/- 2.24   2.970% *  1.6278% (0.69   0.02   0.02) =   0.311%  kept
    Distance limit 2.95 A violated in 10 structures by 2.30 A, kept.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.486, support = 2.99, residual support = 7.66:
        T QB    ALA   34 - QG1   VAL   41   3.27 +/- 1.78  42.384% * 97.8928% (0.49 10.00   2.99   7.69) =  99.718%  kept
        T QB    ALA   34 - QG2   VAL   18   9.71 +/- 1.72  10.654% *  0.7481% (0.37 10.00   0.02   0.02) =   0.192%  kept
          QG2   THR   23 - QG2   VAL   18   9.45 +/- 2.23   7.887% *  0.1284% (0.64  1.00   0.02   0.02) =   0.024%
          QG2   THR   77 - QG1   VAL   41  11.89 +/- 2.84   6.435% *  0.1220% (0.61  1.00   0.02   0.02) =   0.019%
        T QG2   ILE   56 - QG1   VAL   41  13.99 +/- 2.18   1.023% *  0.6207% (0.31 10.00   0.02   0.02) =   0.015%
          QG2   THR   77 - QG2   VAL   18  10.13 +/- 3.05   6.409% *  0.0932% (0.46  1.00   0.02   0.02) =   0.014%
          QG2   THR   23 - QG1   VAL   41  12.76 +/- 2.02   1.138% *  0.1680% (0.84  1.00   0.02   0.02) =   0.005%
          QB    ALA   88 - QG1   VAL   41  13.40 +/- 2.22   2.947% *  0.0501% (0.25  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  38 - QG1   VAL   41   8.58 +/- 1.05   3.926% *  0.0352% (0.18  1.00   0.02   0.02) =   0.003%
          QG2   ILE   56 - QG2   VAL   18  11.92 +/- 2.32   1.646% *  0.0474% (0.24  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QG2   VAL   18  16.60 +/- 2.89   1.477% *  0.0383% (0.19  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QG2   VAL   18  15.98 +/- 2.07   1.603% *  0.0269% (0.13  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QD2   LEU  104   9.75 +/- 2.67   4.829% *  0.0053% (0.03  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD2   LEU  104  13.00 +/- 2.84   1.527% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  16.42 +/- 3.86   1.057% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  12.19 +/- 2.06   2.341% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  13.74 +/- 2.22   1.404% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  14.03 +/- 3.98   1.314% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 4 structures by 0.77 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.827, support = 4.26, residual support = 75.2:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.02  44.509% * 86.1274% (0.84  10.0 10.00   4.29  76.13) =  98.368%  kept
          QB    LYS+  65 - QG2   VAL   18   7.11 +/- 3.90   7.008% *  2.7503% (0.55   1.0  1.00   0.96   0.02) =   0.495%  kept
          HB3   GLN   17 - QG2   VAL   18   4.83 +/- 0.96   5.582% *  3.2237% (0.15   1.0  1.00   4.13  50.34) =   0.462%  kept
          HB2   LEU   71 - QG1   VAL   41   6.54 +/- 2.39   3.821% *  2.6561% (0.69   1.0  1.00   0.75   2.75) =   0.260%  kept
          HG12  ILE  103 - QD2   LEU  104   4.84 +/- 0.85   4.664% *  1.0920% (0.04   1.0  1.00   5.74  39.44) =   0.131%  kept
          QB    LYS+ 102 - QD2   LEU  104   4.03 +/- 0.93  10.872% *  0.4236% (0.04   1.0  1.00   1.83   0.39) =   0.118%  kept
          QB    LYS+  66 - QG2   VAL   18   8.55 +/- 2.94   1.520% *  2.1443% (0.74   1.0  1.00   0.56   0.02) =   0.084%
        T HB    VAL   41 - QG2   VAL   18  11.53 +/- 3.77   3.731% *  0.6582% (0.64   1.0 10.00   0.02   0.02) =   0.063%
          HB2   LEU   71 - QG2   VAL   18   9.20 +/- 4.48   4.708% *  0.0541% (0.52   1.0  1.00   0.02   0.02) =   0.007%
          HG12  ILE  103 - QG1   VAL   41   9.03 +/- 2.78   1.261% *  0.0708% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - QD2   LEU  104   8.53 +/- 3.30   1.693% *  0.0463% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - QG1   VAL   41   9.59 +/- 2.90   0.878% *  0.0861% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QG1   VAL   41  11.92 +/- 3.71   2.539% *  0.0204% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QG1   VAL   41  17.26 +/- 5.29   1.100% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QG2   VAL   18  16.30 +/- 3.72   0.684% *  0.0658% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG1   VAL   41  12.13 +/- 1.93   0.316% *  0.0995% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QG2   VAL   18  15.75 +/- 4.07   0.451% *  0.0541% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QG1   VAL   41  12.08 +/- 1.75   0.299% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG1   VAL   41  16.54 +/- 2.16   0.130% *  0.1011% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  13.11 +/- 3.90   2.400% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  16.17 +/- 3.64   0.146% *  0.0772% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  15.93 +/- 4.25   0.228% *  0.0324% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  17.35 +/- 3.63   0.157% *  0.0324% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  19.56 +/- 3.20   0.091% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  12.72 +/- 3.18   0.337% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  13.83 +/- 2.63   0.279% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  16.25 +/- 2.01   0.131% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  15.57 +/- 4.72   0.185% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  19.64 +/- 3.19   0.114% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  16.62 +/- 3.60   0.166% *  0.0011% (0.01   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 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.541, support = 2.88, residual support = 16.1:
          HB3   LEU   40 - QG1   VAL   41   5.10 +/- 0.37  12.176% * 71.9921% (0.46   3.76  21.29) =  75.029%  kept
          HG2   LYS+  65 - QG2   VAL   18   7.53 +/- 4.53  19.356% *  9.3656% (0.76   0.30   0.02) =  15.517%  kept
          HB2   LYS+  74 - QG2   VAL   18   6.44 +/- 4.56  19.342% *  3.5108% (0.99   0.09   1.28) =   5.813%  kept
          QD    LYS+  66 - QG2   VAL   18   9.46 +/- 2.97   3.294% *  5.5896% (0.31   0.44   0.02) =   1.576%  kept
          QG2   THR   26 - QG2   VAL   18   7.62 +/- 2.35  14.765% *  0.6896% (0.84   0.02   0.02) =   0.872%  kept
          QG2   THR   26 - QG1   VAL   41   9.47 +/- 2.17   2.097% *  4.3284% (0.64   0.16   0.02) =   0.777%  kept
          HB2   LYS+  74 - QG1   VAL   41  10.89 +/- 2.01   1.588% *  0.6253% (0.76   0.02   0.02) =   0.085%
          HB3   LEU   40 - QG2   VAL   18  11.97 +/- 2.62   1.470% *  0.5007% (0.61   0.02   0.02) =   0.063%
          HD2   LYS+ 121 - QG1   VAL   41  14.84 +/- 4.83   1.182% *  0.4334% (0.52   0.02   0.02) =   0.044%
          HB3   LEU   40 - QD2   LEU  104   9.02 +/- 4.45   6.014% *  0.0769% (0.09   0.02   0.02) =   0.040%
          HG2   LYS+  65 - QG1   VAL   41  13.94 +/- 1.91   0.682% *  0.4822% (0.58   0.02   0.02) =   0.028%
          QD    LYS+  66 - QD2   LEU  104  14.04 +/- 4.44   7.862% *  0.0392% (0.05   0.02   0.02) =   0.026%
          HD2   LYS+ 121 - QD2   LEU  104  11.01 +/- 6.01   2.929% *  0.0871% (0.11   0.02   0.02) =   0.022%
          HD2   LYS+ 121 - QG2   VAL   18  16.34 +/- 2.54   0.374% *  0.5671% (0.69   0.02   0.02) =   0.018%
          QD    LYS+  66 - QG1   VAL   41  13.08 +/- 2.35   0.910% *  0.1947% (0.24   0.02   0.02) =   0.015%
          QB    ALA  120 - QG1   VAL   41  15.21 +/- 3.79   0.731% *  0.2368% (0.29   0.02   0.02) =   0.015%
          HG    LEU  115 - QG2   VAL   18  15.63 +/- 2.17   0.518% *  0.3098% (0.38   0.02   0.02) =   0.014%
          QB    ALA  120 - QG2   VAL   18  15.29 +/- 2.71   0.485% *  0.3098% (0.38   0.02   0.02) =   0.013%
          HB2   LYS+  74 - QD2   LEU  104  15.04 +/- 2.74   0.900% *  0.1257% (0.15   0.02   0.02) =   0.010%
          QG2   THR   26 - QD2   LEU  104  14.27 +/- 2.90   0.876% *  0.1060% (0.13   0.02   0.02) =   0.008%
          HG    LEU  115 - QG1   VAL   41  16.90 +/- 1.56   0.317% *  0.2368% (0.29   0.02   0.02) =   0.006%
          QB    ALA  120 - QD2   LEU  104  12.39 +/- 3.90   1.266% *  0.0476% (0.06   0.02   0.02) =   0.005%
          HG2   LYS+  65 - QD2   LEU  104  16.32 +/- 3.09   0.409% *  0.0969% (0.12   0.02   0.02) =   0.003%
          HG    LEU  115 - QD2   LEU  104  15.17 +/- 2.19   0.456% *  0.0476% (0.06   0.02   0.02) =   0.002%
    Distance limit 2.92 A violated in 1 structures by 0.44 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.814, support = 0.02, residual support = 0.637:
        T HA    ALA   61 - QG2   VAL   18   7.73 +/- 3.75  22.652% * 46.5616% (0.87 10.00   0.02   0.87) =  72.545%  kept
        T HA    ALA   61 - QG1   VAL   41  11.75 +/- 2.38   6.696% * 35.5837% (0.66 10.00   0.02   0.02) =  16.388%  kept
          HD2   PRO   68 - QG2   VAL   18   9.96 +/- 3.48  12.739% *  5.2615% (0.98  1.00   0.02   0.02) =   4.610%  kept
          HA    VAL   24 - QG2   VAL   18  11.29 +/- 1.59  11.216% *  2.6128% (0.49  1.00   0.02   0.02) =   2.016%  kept
          HD2   PRO   68 - QG1   VAL   41  11.53 +/- 1.78   7.244% *  4.0210% (0.75  1.00   0.02   0.02) =   2.003%  kept
          HA    VAL   24 - QG1   VAL   41  11.50 +/- 2.40   7.257% *  1.9968% (0.37  1.00   0.02   0.02) =   0.997%  kept
          HD2   PRO   68 - QD2   LEU  104  13.89 +/- 4.26   9.726% *  0.8085% (0.15  1.00   0.02   0.02) =   0.541%  kept
          HA    VAL   24 - QD2   LEU  104  15.91 +/- 4.49   9.269% *  0.4015% (0.07  1.00   0.02   0.02) =   0.256%  kept
          HD3   PRO   58 - QG2   VAL   18  13.57 +/- 2.52   3.424% *  1.0623% (0.20  1.00   0.02   0.02) =   0.250%  kept
          HA    ALA   61 - QD2   LEU  104  14.35 +/- 2.73   4.878% *  0.7155% (0.13  1.00   0.02   0.02) =   0.240%  kept
          HD3   PRO   58 - QG1   VAL   41  16.72 +/- 2.40   2.219% *  0.8118% (0.15  1.00   0.02   0.02) =   0.124%  kept
          HD3   PRO   58 - QD2   LEU  104  16.73 +/- 3.24   2.678% *  0.1632% (0.03  1.00   0.02   0.02) =   0.030%
    Distance limit 2.92 A violated in 15 structures by 2.79 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.26, residual support = 76.1:
      O T HA    VAL   41 - QG1   VAL   41   2.63 +/- 0.36  77.985% * 98.8372% (0.65  10.0 10.00   4.27  76.13) =  99.957%  kept
        T HA    VAL   41 - QG2   VAL   18  10.36 +/- 3.64   3.282% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.032%
          HA    HIS  122 - QG1   VAL   41  14.67 +/- 5.90   7.025% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.004%
          HA    PHE   45 - QG2   VAL   18  11.39 +/- 4.12   1.886% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.003%
        T HA    VAL   41 - QD2   LEU  104   9.28 +/- 3.05   2.991% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   45 - QG1   VAL   41  12.07 +/- 1.18   0.994% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG2   VAL   18  15.04 +/- 4.08   0.898% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104  12.21 +/- 6.36   3.900% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  13.65 +/- 1.68   1.039% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.849, support = 0.02, residual support = 0.168:
          QD    PHE   60 - QG1   VAL   18   7.99 +/- 3.14  38.218% * 36.4324% (1.00   0.02   0.32) =  49.569%  kept
          HN    LYS+  66 - QG1   VAL   18   8.85 +/- 3.82  34.771% * 25.0257% (0.69   0.02   0.02) =  30.979%  kept
          HN    LYS+  81 - QG1   VAL   18  15.32 +/- 4.90  14.664% * 30.4309% (0.84   0.02   0.02) =  15.886%  kept
          QE    PHE   59 - QG1   VAL   18  12.47 +/- 2.11  12.348% *  8.1111% (0.22   0.02   0.02) =   3.566%  kept
    Distance limit 3.11 A violated in 17 structures by 3.39 A, eliminated.
    Peak unassigned.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.47, residual support = 76.3:
          HN    VAL   18 - QG1   VAL   18   3.32 +/- 0.37  97.143% * 99.8229% (0.92   5.47  76.31) =  99.995%  kept
          HN    SER   13 - QG1   VAL   18  12.26 +/- 2.33   2.857% *  0.1771% (0.45   0.02   0.02) =   0.005%
    Distance limit 3.64 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 = 1.49, residual support = 1.26:
          HN    LYS+  74 - QG1   VAL   18   6.05 +/- 4.80  66.606% * 92.4441% (0.31   1.51   1.28) =  98.765%  kept
          HN    THR   46 - QG1   VAL   18  11.78 +/- 4.19  14.880% *  2.8862% (0.73   0.02   0.02) =   0.689%  kept
          HN    MET   92 - QG1   VAL   18  17.62 +/- 4.10   5.526% *  3.5646% (0.90   0.02   0.02) =   0.316%  kept
          HN    ASP- 113 - QG1   VAL   18  19.32 +/- 2.24  12.987% *  1.1051% (0.28   0.02   0.02) =   0.230%  kept
    Distance limit 3.56 A violated in 8 structures by 2.46 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.818, support = 4.77, residual support = 22.0:
          HN    ILE   19 - QG1   VAL   18   3.10 +/- 0.47  70.205% * 91.7459% (0.84   4.85  22.62) =  97.245%  kept
          HN    LEU   73 - QG1   VAL   18   6.51 +/- 4.03  22.272% *  8.1645% (0.20   1.82   0.97) =   2.745%  kept
          HN    VAL   42 - QG1   VAL   18   9.28 +/- 4.30   7.524% *  0.0896% (0.20   0.02   0.02) =   0.010%
    Distance limit 3.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.769, support = 0.503, residual support = 0.207:
          QD    PHE   60 - QG2   VAL   18   8.01 +/- 2.59  17.552% * 46.8853% (0.80   0.65   0.32) =  62.639%  kept
          QD    PHE   60 - QG1   VAL   41  10.59 +/- 2.20   9.670% * 24.0062% (0.61   0.43   0.02) =  17.670%  kept
          HN    LYS+  66 - QG2   VAL   18   8.00 +/- 3.80  21.254% *  8.2946% (0.98   0.09   0.02) =  13.419%  kept
          QE    PHE   59 - QG2   VAL   18  12.40 +/- 1.98   3.836% *  8.4851% (0.57   0.17   0.02) =   2.478%  kept
          QE    PHE   59 - QG1   VAL   41  13.28 +/- 2.28   4.287% *  3.8594% (0.43   0.10   0.02) =   1.259%  kept
          HN    PHE   59 - QG2   VAL   18  12.26 +/- 2.41   3.714% *  3.3367% (0.22   0.17   0.02) =   0.943%  kept
          HN    LYS+  66 - QG1   VAL   41  12.45 +/- 1.71   4.833% *  1.3514% (0.75   0.02   0.02) =   0.497%  kept
          HN    LYS+  81 - QG2   VAL   18  15.83 +/- 4.56   5.089% *  0.8088% (0.45   0.02   0.02) =   0.313%  kept
          HN    PHE   59 - QG1   VAL   41  15.28 +/- 2.29   2.136% *  1.5177% (0.17   0.10   0.02) =   0.247%  kept
          HN    LYS+  81 - QG1   VAL   41  16.43 +/- 3.21   4.355% *  0.6181% (0.34   0.02   0.02) =   0.205%  kept
          HN    LYS+  66 - QD2   LEU  104  14.40 +/- 3.22   5.778% *  0.2717% (0.15   0.02   0.02) =   0.120%  kept
          QE    PHE   59 - QD2   LEU  104  11.70 +/- 3.29   8.332% *  0.1569% (0.09   0.02   0.02) =   0.100%
          QD    PHE   60 - QD2   LEU  104  12.60 +/- 2.28   5.044% *  0.2220% (0.12   0.02   0.02) =   0.085%
          HN    LYS+  81 - QD2   LEU  104  18.12 +/- 3.24   1.388% *  0.1243% (0.07   0.02   0.02) =   0.013%
          HN    PHE   59 - QD2   LEU  104  15.26 +/- 3.04   2.729% *  0.0617% (0.03   0.02   0.02) =   0.013%
    Distance limit 3.17 A violated in 12 structures by 2.44 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 5.25, residual support = 76.3:
          HN    VAL   18 - QG2   VAL   18   2.51 +/- 0.74  79.297% * 98.1404% (0.61   5.25  76.31) =  99.946%  kept
          HN    GLU-  29 - QG2   VAL   18  12.13 +/- 2.35   2.156% *  0.4472% (0.73   0.02   0.02) =   0.012%
          HN    VAL   18 - QG1   VAL   41  11.72 +/- 3.67   3.243% *  0.2855% (0.46   0.02   0.02) =   0.012%
          HN    GLU-  29 - QG1   VAL   41  10.17 +/- 2.44   2.312% *  0.3418% (0.55   0.02   0.02) =   0.010%
          HN    GLN   30 - QG1   VAL   41   8.39 +/- 2.55   4.584% *  0.1174% (0.19   0.02   0.02) =   0.007%
          HN    GLN   30 - QG2   VAL   18  10.60 +/- 1.94   3.215% *  0.1536% (0.25   0.02   0.02) =   0.006%
          HN    ASP-  86 - QG1   VAL   41  14.57 +/- 2.67   1.402% *  0.1453% (0.24   0.02   0.02) =   0.003%
          HN    ASP-  86 - QG2   VAL   18  17.65 +/- 4.14   0.684% *  0.1901% (0.31   0.02   0.02) =   0.002%
          HN    VAL   18 - QD2   LEU  104  15.85 +/- 3.51   1.167% *  0.0574% (0.09   0.02   0.02) =   0.001%
          HN    GLU-  29 - QD2   LEU  104  16.21 +/- 3.46   0.493% *  0.0687% (0.11   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  14.89 +/- 2.06   0.838% *  0.0292% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  14.87 +/- 3.09   0.610% *  0.0236% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.55, residual support = 76.0:
          HN    VAL   41 - QG1   VAL   41   2.41 +/- 0.46  86.132% * 96.5139% (0.14   4.56  76.13) =  99.887%  kept
          HN    LYS+ 106 - QD2   LEU  104   7.32 +/- 0.46   3.891% *  2.0472% (0.01   1.23   0.02) =   0.096%
          HN    VAL   41 - QG2   VAL   18  11.71 +/- 2.71   2.122% *  0.3236% (0.10   0.02   0.02) =   0.008%
          HN    LYS+ 106 - QG1   VAL   41  12.76 +/- 1.96   0.713% *  0.6193% (0.20   0.02   0.02) =   0.005%
          HN    LYS+ 106 - QG2   VAL   18  16.67 +/- 2.30   0.409% *  0.4733% (0.15   0.02   0.02) =   0.002%
          HN    VAL   41 - QD2   LEU  104   7.94 +/- 3.66   6.733% *  0.0227% (0.01   0.02   0.02) =   0.002%
    Distance limit 3.07 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 = 85.4:
          HN    VAL   83 - QG1   VAL   83   2.88 +/- 0.61  94.855% * 98.5337% (0.36   5.33  85.37) =  99.980%  kept
          HN    CYS   50 - QG1   VAL   83  15.29 +/- 2.60   0.959% *  0.7796% (0.75   0.02   0.02) =   0.008%
          HE22  GLN   30 - QG1   VAL   83  12.43 +/- 4.56   3.139% *  0.1779% (0.17   0.02   0.02) =   0.006%
          HN    TRP   49 - QG1   VAL   83  14.50 +/- 2.15   1.047% *  0.5088% (0.49   0.02   0.02) =   0.006%
    Distance limit 3.14 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.516, support = 0.342, residual support = 0.18:
          QG1   VAL   24 - QG1   VAL   83   8.78 +/- 5.13  24.931% * 48.8883% (0.46  1.00   0.66   0.24) =  50.510%  kept
        T QG1   VAL  107 - QG1   VAL   83  12.18 +/- 2.29  21.989% * 24.4953% (0.75 10.00   0.02   0.02) =  22.321%  kept
        T QG2   VAL   24 - QG1   VAL   83   8.06 +/- 5.61  35.701% * 14.8571% (0.46 10.00   0.02   0.24) =  21.980%  kept
        T HG    LEU   63 - QG1   VAL   83  14.43 +/- 2.62  11.129% * 10.5984% (0.33 10.00   0.02   0.02) =   4.888%  kept
          HD3   LYS+ 112 - QG1   VAL   83  18.32 +/- 3.06   6.250% *  1.1609% (0.36  1.00   0.02   0.02) =   0.301%  kept
    Distance limit 3.01 A violated in 12 structures by 3.32 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 = 0.527, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  15.04 +/- 2.22  20.993% * 27.9530% (0.14 10.00   0.02   0.02) =  39.114%  kept
          HB2   PRO   58 - HA    ILE   19  17.73 +/- 3.28  16.855% * 19.0666% (0.92  1.00   0.02   0.02) =  21.421%  kept
          HB3   PHE   97 - HA    ILE   19  17.95 +/- 2.81  11.763% * 19.0666% (0.92  1.00   0.02   0.02) =  14.950%  kept
          HB2   GLU- 100 - HA    ILE   19  19.76 +/- 4.71  12.159% * 14.1878% (0.69  1.00   0.02   0.02) =  11.499%  kept
          QG    GLU-  79 - HA    ILE   19  13.59 +/- 4.42  32.729% *  3.1869% (0.15  1.00   0.02   0.02) =   6.952%  kept
          HB2   GLN  116 - HA    ILE   19  23.82 +/- 3.29   5.500% * 16.5389% (0.80  1.00   0.02   0.02) =   6.063%  kept
    Distance limit 3.83 A violated in 20 structures by 6.92 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 = 25.5:
      O   HN    ALA   20 - HA    ILE   19   2.30 +/- 0.09  99.354% * 99.9363% (0.73  10.0   5.04  25.52) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  15.12 +/- 3.18   0.560% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  25.37 +/- 2.99   0.086% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.978, support = 6.67, residual support = 169.1:
      O   HN    ILE   19 - HA    ILE   19   2.89 +/- 0.04  78.657% * 97.5651% (0.98  10.0   6.71 170.05) =  99.405%  kept
          HN    LEU   73 - HA    ILE   19   7.13 +/- 3.19  19.283% *  2.3745% (0.61   1.0   0.79   5.82) =   0.593%  kept
          HN    VAL   42 - HA    ILE   19  11.20 +/- 3.27   2.060% *  0.0604% (0.61   1.0   0.02   0.02) =   0.002%
    Distance limit 3.66 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 = 2.43, residual support = 5.82:
          HA    LEU   73 - HB    ILE   19   5.05 +/- 4.45 100.000% *100.0000% (0.95   2.43   5.82) = 100.000%  kept
    Distance limit 3.88 A violated in 4 structures by 1.82 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.674, support = 5.68, residual support = 156.0:
      O   HN    ILE   19 - HB    ILE   19   2.59 +/- 0.52  68.937% * 81.3114% (0.65  10.0   5.93 170.05) =  91.456%  kept
          HN    LEU   73 - HB    ILE   19   5.50 +/- 3.74  28.238% * 18.5324% (0.97   1.0   3.06   5.82) =   8.538%  kept
          HN    VAL   42 - HB    ILE   19   9.60 +/- 3.69   2.597% *  0.1213% (0.97   1.0   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HB    ILE   19  19.88 +/- 2.05   0.228% *  0.0349% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 169.8:
      O   HG13  ILE   19 - QG2   ILE   19   2.80 +/- 0.28  62.019% * 98.1968% (0.28  10.0   4.89 170.05) =  99.868%  kept
          QG2   THR   23 - QG2   ILE   19   6.98 +/- 1.58  10.594% *  0.2699% (0.76   1.0   0.02   0.02) =   0.047%
          QB    ALA   34 - QG2   ILE   19   6.97 +/- 1.30   6.613% *  0.3501% (0.99   1.0   0.02   0.02) =   0.038%
          QG2   THR   39 - QG2   ILE   19   8.45 +/- 2.93   8.798% *  0.2142% (0.61   1.0   0.02   0.02) =   0.031%
          HG2   LYS+  74 - QG2   ILE   19   8.11 +/- 2.83   9.628% *  0.0478% (0.14   1.0   0.02   8.14) =   0.008%
          QG2   ILE   56 - QG2   ILE   19  13.72 +/- 2.02   0.633% *  0.3462% (0.98   1.0   0.02   0.02) =   0.004%
          HG3   LYS+  38 - QG2   ILE   19  13.70 +/- 2.09   0.694% *  0.3064% (0.87   1.0   0.02   0.02) =   0.003%
          QB    ALA   91 - QG2   ILE   19  16.74 +/- 1.93   0.348% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QG2   ILE   19  14.89 +/- 3.14   0.673% *  0.0545% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.41 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 = 0.941, support = 5.37, residual support = 168.3:
      O   HG12  ILE   19 - QG2   ILE   19   3.00 +/- 0.28  49.865% * 96.7889% (0.95  10.0  1.00   5.42 170.05) =  98.924%  kept
          HG    LEU   73 - QG2   ILE   19   5.12 +/- 2.30  22.373% *  2.0135% (0.53   1.0  1.00   0.75   5.82) =   0.923%  kept
          HB3   LYS+  74 - QG2   ILE   19   6.68 +/- 2.97  15.352% *  0.4083% (0.38   1.0  1.00   0.21   8.14) =   0.128%  kept
          QB    ALA   61 - QG2   ILE   19   9.28 +/- 1.86   3.251% *  0.1003% (0.98   1.0  1.00   0.02   0.02) =   0.007%
        T QB    LEU   98 - QG2   ILE   19  11.53 +/- 3.13   1.567% *  0.1792% (0.18   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   80 - QG2   ILE   19  12.96 +/- 6.23   1.916% *  0.1014% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   67 - QG2   ILE   19  10.79 +/- 1.60   1.775% *  0.0918% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   80 - QG2   ILE   19  12.89 +/- 5.25   1.337% *  0.0579% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QG2   ILE   19  12.01 +/- 1.63   0.970% *  0.0743% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QG2   ILE   19  17.82 +/- 4.32   0.824% *  0.0421% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   ILE   19  18.02 +/- 2.30   0.283% *  0.1003% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   ILE   19  17.52 +/- 4.20   0.488% *  0.0421% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2336 (2.01, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.792, support = 4.85, residual support = 167.7:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.02  62.817% * 96.2824% (0.80  10.0   4.89 170.05) =  98.513%  kept
          HG3   GLN   30 - QG2   ILE   19   3.59 +/- 1.37  30.064% *  3.0116% (0.22   1.0   2.25  14.81) =   1.475%  kept
          HB2   GLN   17 - QG2   ILE   19   6.65 +/- 1.18   4.237% *  0.1110% (0.92   1.0   0.02   0.02) =   0.008%
          QB    GLU-  15 - QG2   ILE   19   8.10 +/- 1.10   1.342% *  0.1110% (0.92   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QG2   ILE   19  10.08 +/- 1.50   0.831% *  0.1200% (1.00   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - QG2   ILE   19  13.86 +/- 1.50   0.239% *  0.0873% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  13.54 +/- 2.10   0.285% *  0.0681% (0.57   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  18.82 +/- 2.37   0.111% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  22.05 +/- 3.13   0.073% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 14.8:
          HG2   GLN   30 - QG2   ILE   19   3.80 +/- 1.25  77.693% * 96.5539% (0.65   2.12  14.81) =  99.785%  kept
          HB3   ASN   28 - QG2   ILE   19   9.78 +/- 1.06  10.714% *  0.5779% (0.41   0.02   0.02) =   0.082%
          HB3   HIS  122 - QG2   ILE   19  15.30 +/- 4.73   3.730% *  1.2194% (0.87   0.02   0.02) =   0.060%
          QE    LYS+ 121 - QG2   ILE   19  15.85 +/- 3.92   3.046% *  1.4026% (1.00   0.02   0.02) =   0.057%
          HB3   ASP-  78 - QG2   ILE   19  14.39 +/- 3.46   4.817% *  0.2462% (0.18   0.02   0.02) =   0.016%
    Distance limit 3.88 A violated in 3 structures by 0.42 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 170.0:
      O   HA    ILE   19 - QG2   ILE   19   2.50 +/- 0.33  96.808% * 99.7522% (0.92  10.0   5.74 170.05) =  99.997%  kept
          HA    GLU-  25 - QG2   ILE   19   9.77 +/- 1.33   2.068% *  0.1081% (1.00   1.0   0.02   0.02) =   0.002%
          HA    SER   82 - QG2   ILE   19  17.52 +/- 4.47   0.729% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  16.92 +/- 2.22   0.396% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.308, support = 3.64, residual support = 25.5:
          HN    ALA   20 - QG2   ILE   19   2.68 +/- 0.70  95.710% * 97.8881% (0.31   3.64  25.52) =  99.944%  kept
          HN    PHE   45 - QG2   ILE   19  12.46 +/- 2.53   3.865% *  1.2644% (0.73   0.02   0.02) =   0.052%
          HN    ALA  110 - QG2   ILE   19  20.97 +/- 2.49   0.425% *  0.8475% (0.49   0.02   0.02) =   0.004%
    Distance limit 3.29 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.669, support = 5.38, residual support = 158.5:
          HN    ILE   19 - QG2   ILE   19   3.46 +/- 0.41  61.057% * 86.7794% (0.65   5.75 170.05) =  92.958%  kept
          HN    LEU   73 - QG2   ILE   19   5.49 +/- 2.42  31.502% * 12.6405% (0.97   0.56   5.82) =   6.986%  kept
          HN    VAL   42 - QG2   ILE   19   8.72 +/- 2.77   6.844% *  0.4503% (0.97   0.02   0.02) =   0.054%
          HN    LYS+ 106 - QG2   ILE   19  17.22 +/- 2.56   0.597% *  0.1297% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.80 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 = 0.442, support = 0.02, residual support = 0.165:
          QD2   LEU   67 - HG13  ILE   19  10.53 +/- 2.77  12.958% * 39.2581% (0.69   0.02   0.02) =  40.343%  kept
          QD1   LEU   40 - HG13  ILE   19   9.83 +/- 2.19  16.681% * 23.4959% (0.41   0.02   0.02) =  31.084%  kept
          QD1   LEU   40 - HG    LEU   71   6.47 +/- 1.45  35.036% *  3.3680% (0.06   0.02   1.56) =   9.359%  kept
          QD2   LEU   67 - HG    LEU   71   8.04 +/- 1.40  20.542% *  5.6275% (0.10   0.02   0.02) =   9.168%  kept
          QG2   ILE  119 - HG13  ILE   19  16.04 +/- 3.81   5.160% * 15.8904% (0.28   0.02   0.02) =   6.502%  kept
          QD1   ILE  103 - HG13  ILE   19  16.23 +/- 3.34   3.903% *  8.8183% (0.15   0.02   0.02) =   2.730%  kept
          QG2   ILE  119 - HG    LEU   71  16.34 +/- 2.75   2.988% *  2.2778% (0.04   0.02   0.02) =   0.540%  kept
          QD1   ILE  103 - HG    LEU   71  15.68 +/- 2.61   2.732% *  1.2641% (0.02   0.02   0.02) =   0.274%  kept
    Distance limit 3.05 A violated in 17 structures by 2.57 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.65, support = 5.63, residual support = 160.4:
          HN    ILE   19 - HG13  ILE   19   3.33 +/- 0.57  49.972% * 81.0020% (0.65   5.93 170.05) =  94.158%  kept
          HN    LEU   73 - HG13  ILE   19   6.57 +/- 3.47  20.239% *  8.5349% (0.97   0.42   5.82) =   4.018%  kept
          HN    LEU   73 - HG    LEU   71   8.09 +/- 1.36   5.732% *  6.2578% (0.14   2.14   1.48) =   0.834%  kept
          HN    VAL   42 - HG    LEU   71   8.07 +/- 2.59  12.814% *  2.5597% (0.14   0.88   1.07) =   0.763%  kept
          HN    ILE   19 - HG    LEU   71   9.49 +/- 5.61   7.666% *  1.1041% (0.09   0.56   0.82) =   0.197%  kept
          HN    VAL   42 - HG13  ILE   19   9.98 +/- 3.57   2.962% *  0.4073% (0.97   0.02   0.02) =   0.028%
          HN    LYS+ 106 - HG13  ILE   19  20.52 +/- 2.55   0.324% *  0.1173% (0.28   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   71  19.85 +/- 1.85   0.291% *  0.0168% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.04 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   3.46 +/- 0.52  89.818% * 97.4764% (0.41   2.25  14.81) =  99.911%  kept
          HD22  ASN   69 - QG2   ILE   19  13.55 +/- 2.00   2.099% *  2.1059% (1.00   0.02   0.02) =   0.050%
          QE    PHE   45 - QG2   ILE   19  11.33 +/- 3.18   8.083% *  0.4177% (0.20   0.02   0.02) =   0.039%
    Distance limit 4.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.05, residual support = 14.8:
          HE21  GLN   30 - QG2   ILE   19   3.40 +/- 0.93  80.178% * 97.4718% (1.00   2.05  14.81) =  99.790%  kept
          HD1   TRP   27 - QG2   ILE   19   8.20 +/- 1.32  15.798% *  0.8251% (0.87   0.02   0.02) =   0.166%  kept
          QD    PHE   59 - QG2   ILE   19  13.22 +/- 2.31   2.921% *  0.8251% (0.87   0.02   0.02) =   0.031%
          HH2   TRP   49 - QG2   ILE   19  19.05 +/- 3.58   1.102% *  0.8780% (0.92   0.02   0.02) =   0.012%
    Distance limit 4.04 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 = 2.11, residual support = 14.8:
          HE22  GLN   30 - QD1   ILE   19   4.05 +/- 0.85  94.300% * 93.6400% (0.25   2.11  14.81) =  99.869%  kept
          HN    CYS   50 - QD1   ILE   19  18.91 +/- 2.69   1.606% *  2.8471% (0.80   0.02   0.02) =   0.052%
          HN    TRP   49 - QD1   ILE   19  19.14 +/- 3.13   1.847% *  2.3001% (0.65   0.02   0.02) =   0.048%
          HN    VAL   83 - QD1   ILE   19  16.33 +/- 4.33   2.247% *  1.2128% (0.34   0.02   0.02) =   0.031%
    Distance limit 4.20 A violated in 0 structures by 0.26 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  17.90 +/- 2.14 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.00 A violated in 20 structures by 13.90 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 = 25.5:
          HA    ILE   19 - QB    ALA   20   3.87 +/- 0.07  89.219% * 98.7208% (0.92   3.83  25.52) =  99.939%  kept
          HA    GLU-  25 - QB    ALA   20  10.23 +/- 1.60   7.336% *  0.5578% (1.00   0.02   0.02) =   0.046%
          HA    CYS   53 - QB    ALA   20  16.07 +/- 2.83   1.878% *  0.3831% (0.69   0.02   0.02) =   0.008%
          HA    SER   82 - QB    ALA   20  17.11 +/- 4.04   1.567% *  0.3383% (0.61   0.02   0.02) =   0.006%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.838, support = 0.02, residual support = 4.15:
          QE    LYS+  74 - QB    ALA   20   6.33 +/- 2.95  51.577% * 25.4326% (0.90   0.02   6.87) =  60.238%  kept
          HB2   PHE   72 - QB    ALA   20   9.04 +/- 2.02  21.722% * 16.0552% (0.57   0.02   0.02) =  16.015%  kept
          QB    CYS   50 - QB    ALA   20  13.94 +/- 2.79  10.775% * 26.1780% (0.92   0.02   0.02) =  12.953%  kept
          HB3   ASN   69 - QB    ALA   20  15.22 +/- 1.65   6.962% * 27.3678% (0.97   0.02   0.02) =   8.749%  kept
          HB3   ASP-  78 - QB    ALA   20  12.39 +/- 3.41   8.965% *  4.9664% (0.18   0.02   0.02) =   2.045%  kept
    Distance limit 3.66 A violated in 11 structures by 2.30 A, kept.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.834, support = 2.23, residual support = 5.41:
          HD2   HIS   22 - QB    ALA   20   3.44 +/- 0.76  62.575% * 62.4238% (0.92   2.23   6.18) =  77.726%  kept
          HN    THR   23 - QB    ALA   20   4.79 +/- 1.16  31.266% * 35.7213% (0.53   2.24   2.73) =  22.224%  kept
          HN    LEU   67 - QB    ALA   20  11.77 +/- 1.70   2.243% *  0.5445% (0.90   0.02   0.02) =   0.024%
          HD1   TRP   49 - QB    ALA   20  17.38 +/- 3.45   0.959% *  0.6018% (0.99   0.02   0.02) =   0.011%
          QE    PHE   95 - QB    ALA   20  12.97 +/- 2.01   1.550% *  0.2955% (0.49   0.02   0.02) =   0.009%
          HD21  ASN   35 - QB    ALA   20  16.18 +/- 1.72   0.720% *  0.3194% (0.53   0.02   0.02) =   0.005%
          QD    PHE   55 - QB    ALA   20  16.47 +/- 2.97   0.687% *  0.0937% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.44 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 = 3.88, residual support = 16.5:
          HN    CYS   21 - QB    ALA   20   3.45 +/- 0.26  94.057% * 99.1280% (0.95   3.89  16.54) =  99.985%  kept
          HN    LYS+  33 - QB    ALA   20  12.01 +/- 1.01   2.563% *  0.3272% (0.61   0.02   0.02) =   0.009%
          HN    ILE  119 - QB    ALA   20  18.08 +/- 3.32   1.039% *  0.2838% (0.53   0.02   0.02) =   0.003%
          HN    ILE   89 - QB    ALA   20  17.67 +/- 2.81   0.949% *  0.1665% (0.31   0.02   0.02) =   0.002%
          HN    SER   37 - QB    ALA   20  15.18 +/- 1.80   1.393% *  0.0945% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.92 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   2.24 +/- 0.12  99.050% * 99.6086% (0.31  10.0   3.73  15.21) =  99.998%  kept
          HN    PHE   45 - QB    ALA   20  12.72 +/- 2.55   0.801% *  0.2343% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ALA  110 - QB    ALA   20  21.00 +/- 2.74   0.149% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.667, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB2   CYS   21  12.66 +/- 3.74  14.391% *  9.0526% (0.65   0.02   0.02) =  17.137%  kept
          HB3   PRO   52 - HB2   CYS   21  20.75 +/- 6.11   8.953% * 13.7167% (0.98   0.02   0.02) =  16.155%  kept
          HG12  ILE  103 - HB2   CYS   21  16.75 +/- 5.00   9.687% * 11.2053% (0.80   0.02   0.02) =  14.278%  kept
          HG    LEU  123 - HB2   CYS   21  21.36 +/- 7.00   7.340% * 13.7167% (0.98   0.02   0.02) =  13.243%  kept
          QB    LYS+  33 - HB2   CYS   21  11.39 +/- 2.64  17.279% *  4.7734% (0.34   0.02   0.02) =  10.849%  kept
          QB    LYS+  66 - HB2   CYS   21  14.88 +/- 2.73   7.532% *  6.2738% (0.45   0.02   0.02) =   6.216%  kept
          HG2   ARG+  54 - HB2   CYS   21  19.80 +/- 4.43   5.189% *  6.8115% (0.49   0.02   0.02) =   4.649%  kept
          QB    LYS+  81 - HB2   CYS   21  15.53 +/- 4.39   9.322% *  3.1155% (0.22   0.02   0.02) =   3.821%  kept
          HB    ILE  103 - HB2   CYS   21  18.81 +/- 4.96   3.799% *  7.3624% (0.53   0.02   0.02) =   3.679%  kept
          HG3   PRO   68 - HB2   CYS   21  19.09 +/- 1.97   2.803% *  7.9226% (0.57   0.02   0.02) =   2.921%  kept
          HB3   ASP- 105 - HB2   CYS   21  18.37 +/- 4.61   3.292% *  6.2738% (0.45   0.02   0.02) =   2.717%  kept
          HG2   PRO   93 - HB2   CYS   21  19.32 +/- 3.61   4.198% *  3.1155% (0.22   0.02   0.02) =   1.721%  kept
          QB    LYS+ 106 - HB2   CYS   21  16.61 +/- 3.17   3.841% *  2.7693% (0.20   0.02   0.02) =   1.399%  kept
          HB3   GLN   90 - HB2   CYS   21  21.27 +/- 4.26   2.375% *  3.8908% (0.28   0.02   0.02) =   1.215%  kept
    Distance limit 3.75 A violated in 16 structures by 3.92 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.812, support = 1.34, residual support = 7.25:
          QD1   LEU   73 - HB2   CYS   21   3.82 +/- 1.47  43.098% * 45.3434% (0.80   1.50   9.38) =  77.025%  kept
          QD1   LEU   63 - HB2   CYS   21  11.70 +/- 3.68  11.878% * 24.6134% (0.80   0.81   0.11) =  11.523%  kept
          QD2   LEU   63 - HB2   CYS   21  11.44 +/- 3.26   9.842% * 28.6067% (0.92   0.82   0.11) =  11.097%  kept
          QD2   LEU   80 - HB2   CYS   21  10.33 +/- 6.12  14.728% *  0.3104% (0.41   0.02   0.02) =   0.180%  kept
          QD1   LEU   80 - HB2   CYS   21  11.01 +/- 6.17  10.111% *  0.1681% (0.22   0.02   0.02) =   0.067%
          QD2   LEU  115 - HB2   CYS   21  15.58 +/- 4.48   3.299% *  0.3385% (0.45   0.02   0.02) =   0.044%
          QG2   VAL   41 - HB2   CYS   21  10.51 +/- 3.40   3.623% *  0.2834% (0.38   0.02   0.02) =   0.040%
          QD2   LEU   98 - HB2   CYS   21  12.22 +/- 3.81   2.071% *  0.1681% (0.22   0.02   0.02) =   0.014%
          QD1   LEU  104 - HB2   CYS   21  15.05 +/- 3.93   1.349% *  0.1681% (0.22   0.02   0.02) =   0.009%
    Distance limit 3.77 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.78, residual support = 30.3:
      O T HA    CYS   21 - HB2   CYS   21   2.54 +/- 0.18  94.285% * 99.6850% (0.92  10.0 10.00   2.78  30.26) =  99.995%  kept
          HA    TRP   49 - HB2   CYS   21  19.77 +/- 5.04   3.470% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 102 - HB2   CYS   21  19.10 +/- 5.38   1.492% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   50 - HB2   CYS   21  18.69 +/- 3.98   0.614% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  23.82 +/- 3.02   0.139% *  0.0655% (0.61   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 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.794, support = 3.33, residual support = 7.08:
          HD2   HIS   22 - HB2   CYS   21   5.47 +/- 0.78  37.024% * 71.2012% (0.92   3.72   8.65) =  67.559%  kept
          HN    THR   23 - HB2   CYS   21   4.82 +/- 1.09  45.863% * 27.5334% (0.53   2.53   3.84) =  32.362%  kept
          HN    LEU   67 - HB2   CYS   21  14.79 +/- 2.27   2.103% *  0.3715% (0.90   0.02   0.02) =   0.020%
          HD1   TRP   49 - HB2   CYS   21  19.41 +/- 4.24   1.853% *  0.4105% (0.99   0.02   0.02) =   0.020%
          QE    PHE   95 - HB2   CYS   21  13.63 +/- 3.16   3.749% *  0.2016% (0.49   0.02   0.02) =   0.019%
          QD    PHE   55 - HB2   CYS   21  18.70 +/- 5.37   8.150% *  0.0639% (0.15   0.02   0.02) =   0.013%
          HD21  ASN   35 - HB2   CYS   21  16.72 +/- 1.82   1.258% *  0.2179% (0.53   0.02   0.02) =   0.007%
    Distance limit 4.17 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.43, residual support = 30.3:
      O   HN    CYS   21 - HB2   CYS   21   2.98 +/- 0.55  92.070% * 99.8294% (0.95  10.0   3.43  30.26) =  99.995%  kept
          HN    LYS+  33 - HB2   CYS   21  11.99 +/- 2.70   2.976% *  0.0640% (0.61   1.0   0.02   0.02) =   0.002%
          HN    ILE  119 - HB2   CYS   21  19.96 +/- 5.27   3.417% *  0.0555% (0.53   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB2   CYS   21  18.21 +/- 3.71   0.626% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  16.54 +/- 2.66   0.910% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.459, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB3   CYS   21  12.94 +/- 4.07  14.140% *  9.0526% (0.44   0.02   0.02) =  16.898%  kept
          HB3   PRO   52 - HB3   CYS   21  20.52 +/- 5.96   9.189% * 13.7167% (0.67   0.02   0.02) =  16.638%  kept
          HG12  ILE  103 - HB3   CYS   21  16.83 +/- 5.26  10.012% * 11.2053% (0.55   0.02   0.02) =  14.809%  kept
          HG    LEU  123 - HB3   CYS   21  21.34 +/- 6.72   7.144% * 13.7167% (0.67   0.02   0.02) =  12.936%  kept
          QB    LYS+  33 - HB3   CYS   21  11.82 +/- 2.95  16.184% *  4.7734% (0.23   0.02   0.02) =  10.198%  kept
          QB    LYS+  66 - HB3   CYS   21  14.88 +/- 2.30   7.022% *  6.2738% (0.31   0.02   0.02) =   5.816%  kept
          HG2   ARG+  54 - HB3   CYS   21  19.48 +/- 4.39   6.000% *  6.8115% (0.33   0.02   0.02) =   5.395%  kept
          QB    LYS+  81 - HB3   CYS   21  15.24 +/- 4.60  11.147% *  3.1155% (0.15   0.02   0.02) =   4.584%  kept
          HB    ILE  103 - HB3   CYS   21  18.88 +/- 5.15   3.221% *  7.3624% (0.36   0.02   0.02) =   3.130%  kept
          HG3   PRO   68 - HB3   CYS   21  19.26 +/- 1.73   2.677% *  7.9226% (0.39   0.02   0.02) =   2.800%  kept
          HB3   ASP- 105 - HB3   CYS   21  18.37 +/- 4.61   3.007% *  6.2738% (0.31   0.02   0.02) =   2.490%  kept
          HG2   PRO   93 - HB3   CYS   21  19.02 +/- 3.45   3.999% *  3.1155% (0.15   0.02   0.02) =   1.645%  kept
          QB    LYS+ 106 - HB3   CYS   21  16.61 +/- 3.24   3.744% *  2.7693% (0.14   0.02   0.02) =   1.369%  kept
          HB3   GLN   90 - HB3   CYS   21  21.06 +/- 4.45   2.514% *  3.8908% (0.19   0.02   0.02) =   1.291%  kept
    Distance limit 3.85 A violated in 15 structures by 3.70 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.611, support = 1.87, residual support = 3.77:
          QG2   THR   26 - HB3   CYS   21   5.48 +/- 2.36  40.660% * 75.0034% (0.60   2.18   2.26) =  80.453%  kept
          HB2   LYS+  74 - HB3   CYS   21   6.95 +/- 3.32  32.413% * 22.5282% (0.69   0.57  10.13) =  19.264%  kept
          HG2   LYS+  65 - HB3   CYS   21  13.77 +/- 2.82   5.214% *  0.6343% (0.55   0.02   0.02) =   0.087%
          HD2   LYS+ 121 - HB3   CYS   21  20.59 +/- 5.48   3.770% *  0.5752% (0.50   0.02   0.02) =   0.057%
          QB    ALA  120 - HB3   CYS   21  19.62 +/- 4.75   6.091% *  0.2702% (0.23   0.02   0.02) =   0.043%
          QD    LYS+  66 - HB3   CYS   21  16.21 +/- 2.60   5.052% *  0.2702% (0.23   0.02   0.02) =   0.036%
          HG    LEU  115 - HB3   CYS   21  19.36 +/- 4.77   4.538% *  0.2702% (0.23   0.02   0.02) =   0.032%
          HB3   LEU   40 - HB3   CYS   21  16.06 +/- 2.07   2.262% *  0.4484% (0.39   0.02   0.02) =   0.027%
    Distance limit 4.14 A violated in 4 structures by 0.69 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.557, support = 1.65, residual support = 7.5:
          QD1   LEU   73 - HB3   CYS   21   4.00 +/- 1.50  37.247% * 50.5253% (0.55   1.86   9.38) =  79.733%  kept
          QD1   LEU   63 - HB3   CYS   21  11.71 +/- 3.31  10.539% * 22.3569% (0.55   0.83   0.11) =   9.982%  kept
          QD2   LEU   63 - HB3   CYS   21  11.48 +/- 2.89   9.026% * 25.8301% (0.63   0.83   0.11) =   9.878%  kept
          QD2   LEU   80 - HB3   CYS   21  10.14 +/- 6.26  16.536% *  0.2782% (0.28   0.02   0.02) =   0.195%  kept
          QD1   LEU   80 - HB3   CYS   21  10.78 +/- 6.44  13.874% *  0.1507% (0.15   0.02   0.02) =   0.089%
          QD2   LEU  115 - HB3   CYS   21  15.45 +/- 4.30   4.510% *  0.3034% (0.31   0.02   0.02) =   0.058%
          QG2   VAL   41 - HB3   CYS   21  10.74 +/- 3.65   2.978% *  0.2540% (0.26   0.02   0.02) =   0.032%
          QD2   LEU   98 - HB3   CYS   21  12.26 +/- 3.93   2.969% *  0.1507% (0.15   0.02   0.02) =   0.019%
          QD1   LEU  104 - HB3   CYS   21  15.09 +/- 3.96   2.323% *  0.1507% (0.15   0.02   0.02) =   0.015%
    Distance limit 3.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.43, residual support = 30.3:
      O   HN    CYS   21 - HB3   CYS   21   2.98 +/- 0.52  94.539% * 99.8294% (0.65  10.0   3.43  30.26) =  99.997%  kept
          HN    LYS+  33 - HB3   CYS   21  12.45 +/- 2.98   2.050% *  0.0640% (0.42   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB3   CYS   21  19.89 +/- 5.09   2.033% *  0.0555% (0.36   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB3   CYS   21  18.07 +/- 3.82   0.692% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  17.05 +/- 3.12   0.686% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.662, residual support = 1.3:
          HN    TRP   27 - HB3   CYS   21   5.72 +/- 2.48  51.227% * 87.4340% (0.52   0.67   1.32) =  98.322%  kept
          HN    ALA   61 - HB3   CYS   21  13.24 +/- 3.12  17.883% *  1.1591% (0.23   0.02   0.02) =   0.455%  kept
          HD1   TRP   87 - HB3   CYS   21  15.28 +/- 4.47   6.356% *  3.1367% (0.63   0.02   0.02) =   0.438%  kept
          HN    LYS+ 102 - HB3   CYS   21  19.14 +/- 5.10  12.016% *  1.2753% (0.26   0.02   0.02) =   0.336%  kept
          HN    THR   39 - HB3   CYS   21  16.36 +/- 2.92   2.932% *  3.2143% (0.65   0.02   0.02) =   0.207%  kept
          HN    GLU-  36 - HB3   CYS   21  16.70 +/- 2.96   2.435% *  1.9238% (0.39   0.02   0.02) =   0.103%  kept
          HN    ALA   91 - HB3   CYS   21  19.84 +/- 3.57   3.285% *  1.3969% (0.28   0.02   0.02) =   0.101%  kept
          HE3   TRP   87 - HB3   CYS   21  17.16 +/- 4.11   3.867% *  0.4599% (0.09   0.02   0.02) =   0.039%
    Distance limit 4.12 A violated in 9 structures by 1.55 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.553, support = 3.55, residual support = 7.22:
          HD2   HIS   22 - HB3   CYS   21   5.46 +/- 1.11  38.287% * 74.1784% (0.63   4.06   8.65) =  70.330%  kept
          HN    THR   23 - HB3   CYS   21   4.67 +/- 0.94  48.593% * 24.6111% (0.36   2.36   3.84) =  29.615%  kept
          HN    LEU   67 - HB3   CYS   21  14.87 +/- 1.84   1.693% *  0.3553% (0.62   0.02   0.02) =   0.015%
          QE    PHE   95 - HB3   CYS   21  13.59 +/- 2.94   2.965% *  0.1929% (0.33   0.02   0.02) =   0.014%
          HD1   TRP   49 - HB3   CYS   21  19.21 +/- 4.09   1.123% *  0.3927% (0.68   0.02   0.02) =   0.011%
          QD    PHE   55 - HB3   CYS   21  18.45 +/- 5.19   6.293% *  0.0611% (0.11   0.02   0.02) =   0.010%
          HD21  ASN   35 - HB3   CYS   21  17.18 +/- 1.98   1.047% *  0.2085% (0.36   0.02   0.02) =   0.005%
    Distance limit 4.21 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.79, residual support = 30.3:
      O T HA    CYS   21 - HB3   CYS   21   2.73 +/- 0.27  91.228% * 99.6850% (0.63  10.0 10.00   2.79  30.26) =  99.991%  kept
          HA    LYS+ 102 - HB3   CYS   21  19.24 +/- 5.59   3.530% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   49 - HB3   CYS   21  19.47 +/- 5.04   4.310% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.004%
          HA    CYS   50 - HB3   CYS   21  18.46 +/- 4.06   0.732% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  23.72 +/- 3.05   0.200% *  0.0655% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.711, support = 2.93, residual support = 34.1:
      O   HD2   HIS   22 - HB2   HIS   22   3.81 +/- 0.31  57.259% * 87.2723% (0.74  10.0   2.73  35.30) =  91.067%  kept
          HN    THR   23 - HB2   HIS   22   4.35 +/- 0.26  39.393% * 12.4389% (0.42   1.0   5.00  21.60) =   8.930%  kept
          HN    LEU   67 - HB2   HIS   22  18.26 +/- 3.46   0.848% *  0.0848% (0.72   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   HIS   22  21.18 +/- 3.86   0.540% *  0.0937% (0.79   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB2   HIS   22  17.16 +/- 3.34   0.921% *  0.0460% (0.39   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   HIS   22  21.14 +/- 1.67   0.366% *  0.0497% (0.42   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  21.05 +/- 5.55   0.674% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.927, support = 3.37, residual support = 35.0:
      O   HD2   HIS   22 - HB3   HIS   22   3.18 +/- 0.42  66.030% * 94.8331% (0.95  10.0   3.32  35.30) =  97.577%  kept
          HN    THR   23 - HB3   HIS   22   4.29 +/- 0.29  31.540% *  4.9264% (0.18   1.0   5.61  21.60) =   2.421%  kept
          HN    LEU   67 - HB3   HIS   22  18.00 +/- 3.51   1.028% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB3   HIS   22  21.57 +/- 3.87   0.348% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  20.45 +/- 1.86   0.278% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.23 +/- 3.34   0.776% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.48, residual support = 21.6:
          QG2   THR   23 - HB3   HIS   22   3.94 +/- 0.44  90.436% * 96.1634% (0.34   3.48  21.60) =  99.908%  kept
          QG2   THR   77 - HB3   HIS   22  13.66 +/- 1.58   2.648% *  1.6041% (0.99   0.02   0.02) =   0.049%
          HG2   LYS+  99 - HB3   HIS   22  22.68 +/- 5.29   5.596% *  0.4500% (0.28   0.02   0.02) =   0.029%
          QB    ALA   88 - HB3   HIS   22  20.58 +/- 2.98   0.755% *  1.1752% (0.73   0.02   0.02) =   0.010%
          HG2   LYS+  38 - HB3   HIS   22  22.75 +/- 2.48   0.564% *  0.6074% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.97 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.445, support = 2.9, residual support = 9.85:
          HN    ALA   47 - HB    THR   46   3.41 +/- 0.68  80.529% * 63.4148% (0.38   3.20  11.18) =  87.759%  kept
          QD    PHE   95 - HB    THR   46   7.27 +/- 2.00  19.471% * 36.5852% (0.95   0.73   0.36) =  12.241%  kept
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.22, residual support = 34.1:
      O   HN    THR   46 - HB    THR   46   3.31 +/- 0.41  75.334% * 99.6646% (0.87  10.0   3.22  34.14) =  99.974%  kept
          HN    MET   92 - HB    THR   46   9.18 +/- 2.84  15.355% *  0.0789% (0.69   1.0   0.02   0.02) =   0.016%
          HN    LYS+ 112 - HB    THR   46  12.71 +/- 3.59   5.958% *  0.0604% (0.53   1.0   0.02   0.02) =   0.005%
          HN    LYS+  74 - HB    THR   46  11.56 +/- 2.47   2.706% *  0.1126% (0.98   1.0   0.02   0.02) =   0.004%
          HN    MET   11 - HB    THR   46  31.38 +/- 6.17   0.646% *  0.0834% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.387, support = 0.02, residual support = 0.02:
        T HB2   LEU   63 - HB2   HIS   22  17.45 +/- 4.86  17.001% * 28.3087% (0.14 10.00   0.02   0.02) =  39.340%  kept
          QG2   THR   77 - HB2   HIS   22  13.44 +/- 1.69  21.363% * 12.9434% (0.64  1.00   0.02   0.02) =  22.602%  kept
          HB3   LEU   80 - HB2   HIS   22  14.71 +/- 5.28  25.761% *  4.0306% (0.20  1.00   0.02   0.02) =   8.487%  kept
          HG2   LYS+  99 - HB2   HIS   22  23.10 +/- 5.32   8.694% * 11.7377% (0.58  1.00   0.02   0.02) =   8.341%  kept
          QB    ALA   88 - HB2   HIS   22  20.36 +/- 3.13   5.876% * 16.1643% (0.80  1.00   0.02   0.02) =   7.764%  kept
          HB2   LEU   31 - HB2   HIS   22  15.55 +/- 1.23  13.651% *  6.0667% (0.30  1.00   0.02   0.02) =   6.769%  kept
          HG2   LYS+  38 - HB2   HIS   22  23.38 +/- 2.22   4.230% * 13.5016% (0.67  1.00   0.02   0.02) =   4.668%  kept
          HG2   LYS+ 111 - HB2   HIS   22  27.60 +/- 4.92   3.425% *  7.2470% (0.36  1.00   0.02   0.02) =   2.029%  kept
    Distance limit 4.01 A violated in 20 structures by 6.07 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 16.5:
      O   HN    CYS   21 - HA    ALA   20   2.24 +/- 0.03  98.865% * 99.8294% (0.95  10.0   3.44  16.54) =  99.999%  kept
          HN    LYS+  33 - HA    ALA   20  13.51 +/- 0.93   0.472% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.30 +/- 3.65   0.228% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  19.79 +/- 3.35   0.183% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.30 +/- 2.05   0.251% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  10.70 +/- 3.72 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.26 A violated in 20 structures by 7.44 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.635, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22  10.14 +/- 5.09  42.962% * 18.5628% (0.57   0.02   0.02) =  41.520%  kept
          QG    GLN   32 - HA    HIS   22  15.99 +/- 1.31  15.044% * 27.4474% (0.85   0.02   0.02) =  21.498%  kept
          HB    VAL  107 - HA    HIS   22  20.99 +/- 3.18  10.457% * 26.5475% (0.82   0.02   0.02) =  14.454%  kept
          QE    LYS+ 112 - HA    HIS   22  19.84 +/- 4.96  17.031% * 13.7211% (0.42   0.02   0.02) =  12.166%  kept
          HB3   PHE   45 - HA    HIS   22  16.26 +/- 3.40  14.506% * 13.7211% (0.42   0.02   0.02) =  10.362%  kept
    Distance limit 3.37 A violated in 18 structures by 5.06 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.409, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22   8.01 +/- 1.70  28.417% * 28.4146% (0.26 10.00   0.02   0.02) =  66.414%  kept
          QD    LYS+ 102 - HA    HIS   22  22.53 +/- 6.07   9.947% *  9.8627% (0.91  1.00   0.02   0.02) =   8.069%  kept
          QD    LYS+  65 - HA    HIS   22  13.84 +/- 3.88  13.216% *  7.4210% (0.69  1.00   0.02   0.02) =   8.067%  kept
          HB    VAL   83 - HA    HIS   22  14.59 +/- 4.83   8.659% *  8.1833% (0.76  1.00   0.02   0.02) =   5.828%  kept
          HD2   LYS+  74 - HA    HIS   22   8.86 +/- 3.16  25.654% *  1.7898% (0.17  1.00   0.02   0.02) =   3.777%  kept
          HB2   LEU  123 - HA    HIS   22  25.11 +/- 6.85   3.572% *  8.1833% (0.76  1.00   0.02   0.02) =   2.404%  kept
          HB2   LYS+ 121 - HA    HIS   22  23.63 +/- 5.45   2.927% *  7.0200% (0.65  1.00   0.02   0.02) =   1.690%  kept
          HG3   PRO   93 - HA    HIS   22  20.79 +/- 3.41   2.034% *  8.5362% (0.79  1.00   0.02   0.02) =   1.428%  kept
          QD    LYS+  38 - HA    HIS   22  20.79 +/- 2.23   1.556% *  9.4340% (0.87  1.00   0.02   0.02) =   1.207%  kept
          HB3   MET   92 - HA    HIS   22  20.71 +/- 3.61   1.566% *  4.2014% (0.39  1.00   0.02   0.02) =   0.541%  kept
          HD2   LYS+ 111 - HA    HIS   22  27.33 +/- 5.08   0.820% *  5.3768% (0.50  1.00   0.02   0.02) =   0.363%  kept
          QD    LYS+ 106 - HA    HIS   22  20.30 +/- 3.09   1.631% *  1.5768% (0.15  1.00   0.02   0.02) =   0.212%  kept
    Distance limit 3.53 A violated in 17 structures by 2.81 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.371, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.68 +/- 0.37  83.304% * 67.5049% (0.39   0.02   0.02) =  91.201%  kept
          HN    LEU   40 - HA    HIS   22  19.27 +/- 2.08  16.696% * 32.4951% (0.19   0.02   0.02) =   8.799%  kept
    Distance limit 3.67 A violated in 20 structures by 6.94 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   2.40 +/- 0.22 100.000% *100.0000% (0.64  10.0   5.38  25.76) = 100.000%  kept
    Distance limit 3.23 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 = 5.28, residual support = 25.8:
          HN    VAL   24 - HB    THR   23   3.75 +/- 0.67 100.000% *100.0000% (0.49   5.28  25.76) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.44 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.732, support = 4.53, residual support = 19.5:
          HN    THR   23 - QG2   THR   23   3.16 +/- 0.48  48.210% * 63.2008% (0.73   4.88  19.14) =  84.815%  kept
          HD2   HIS   22 - QG2   THR   23   5.26 +/- 0.89  15.531% * 35.0066% (0.76   2.57  21.60) =  15.134%  kept
          HD21  ASN   35 - QG2   THR   39   9.26 +/- 2.09  10.509% *  0.0271% (0.08   0.02   0.02) =   0.008%
          HE3   TRP   27 - QG2   THR   23   8.66 +/- 0.87   2.973% *  0.0794% (0.22   0.02   1.20) =   0.007%
          HN    LEU   67 - QG2   THR   23  15.88 +/- 3.15   0.654% *  0.3536% (0.99   0.02   0.02) =   0.006%
          HN    LEU   67 - QG2   THR   39  10.78 +/- 2.17   2.281% *  0.0787% (0.22   0.02   0.02) =   0.005%
          HD1   TRP   49 - QG2   THR   23  18.97 +/- 3.17   0.433% *  0.3199% (0.90   0.02   0.02) =   0.004%
          QE    PHE   95 - QG2   THR   23  15.28 +/- 1.70   0.540% *  0.2451% (0.69   0.02   0.02) =   0.004%
          HD1   TRP   49 - QB    ALA   91   9.97 +/- 3.49   3.197% *  0.0336% (0.09   0.02   0.02) =   0.003%
          QE    PHE   95 - QB    ALA   91   8.60 +/- 2.11   4.111% *  0.0258% (0.07   0.02   0.02) =   0.003%
          HE3   TRP   27 - QG2   THR   39  10.20 +/- 1.99   3.609% *  0.0177% (0.05   0.02   0.02) =   0.002%
          QE    PHE   95 - QG2   THR   39  13.70 +/- 2.27   0.936% *  0.0546% (0.15   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   THR   23  18.82 +/- 4.09   0.499% *  0.0992% (0.28   0.02   0.02) =   0.001%
          HD21  ASN   35 - QG2   THR   23  16.48 +/- 1.45   0.385% *  0.1217% (0.34   0.02   0.02) =   0.001%
          HD1   TRP   49 - QG2   THR   39  21.36 +/- 4.90   0.639% *  0.0712% (0.20   0.02   0.02) =   0.001%
          HD2   HIS   22 - QG2   THR   39  15.13 +/- 3.15   0.662% *  0.0607% (0.17   0.02   0.02) =   0.001%
          HN    THR   23 - QG2   THR   39  15.00 +/- 2.37   0.626% *  0.0577% (0.16   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    ALA   91  11.02 +/- 2.69   2.446% *  0.0104% (0.03   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   91  17.67 +/- 3.00   0.440% *  0.0372% (0.10   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  18.91 +/- 2.36   0.288% *  0.0272% (0.08   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  20.13 +/- 2.80   0.258% *  0.0287% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  18.99 +/- 2.62   0.308% *  0.0221% (0.06   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  17.45 +/- 1.92   0.336% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  24.71 +/- 2.81   0.129% *  0.0128% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.342, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   2.84 +/- 0.90  94.230% * 91.4884% (0.34   1.83  10.79) =  99.833%  kept
          HG3   MET   96 - HA    VAL   83  10.89 +/- 2.13   3.727% *  2.9250% (1.00   0.02   0.56) =   0.126%  kept
          HB3   ASP-  62 - HA    VAL   83  20.05 +/- 3.57   1.131% *  2.2354% (0.76   0.02   0.02) =   0.029%
          HG2   GLU-  36 - HA    VAL   83  25.55 +/- 5.25   0.211% *  2.7001% (0.92   0.02   0.02) =   0.007%
          HG2   GLU-  29 - HA    VAL   83  20.13 +/- 7.18   0.700% *  0.6512% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.8:
        T HB2   ASP-  86 - HA    VAL   83   2.60 +/- 0.53  83.734% * 99.6258% (0.98 10.00   2.25  10.79) =  99.992%  kept
          HB2   ASP-  78 - HA    VAL   83  11.51 +/- 2.31  13.290% *  0.0283% (0.28  1.00   0.02   0.02) =   0.005%
          HB2   ASN   28 - HA    VAL   83  16.89 +/- 7.51   1.888% *  0.0912% (0.90  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - HA    VAL   83  19.10 +/- 4.02   0.457% *  0.0996% (0.98  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    VAL   83  19.41 +/- 4.31   0.357% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  22.90 +/- 5.75   0.274% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 85.4:
      O   HN    VAL   83 - HA    VAL   83   2.80 +/- 0.03  98.970% * 99.7575% (0.57  10.0   4.70  85.37) =  99.999%  kept
          HN    CYS   50 - HA    VAL   83  18.68 +/- 3.31   0.483% *  0.1700% (0.97   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   83  17.56 +/- 2.89   0.546% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.8:
          HN    ASP-  86 - HA    VAL   83   2.87 +/- 0.16  96.012% * 97.0740% (0.95   2.25  10.79) =  99.975%  kept
          HN    GLN   30 - HA    VAL   83  17.47 +/- 6.16   0.891% *  0.8941% (0.98   0.02   0.02) =   0.009%
          HN    GLU-  29 - HA    VAL   83  17.74 +/- 6.86   1.007% *  0.5164% (0.57   0.02   0.02) =   0.006%
          HE1   HIS  122 - HA    VAL   83  21.12 +/- 5.99   1.020% *  0.4799% (0.53   0.02   0.02) =   0.005%
          HN    LYS+  99 - HA    VAL   83  16.22 +/- 2.68   0.822% *  0.4090% (0.45   0.02   0.02) =   0.004%
          HN    GLU-  14 - HA    VAL   83  26.23 +/- 5.35   0.248% *  0.6266% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.718, support = 4.26, residual support = 16.3:
          HD1   TRP   87 - HA    VAL   83   4.09 +/- 0.28  78.488% * 87.1630% (0.73   4.31  16.35) =  98.206%  kept
          HE3   TRP   87 - HA    VAL   83   8.13 +/- 0.48  11.098% * 10.9098% (0.28   1.41  16.35) =   1.738%  kept
          HN    TRP   27 - HA    VAL   83  15.76 +/- 6.52   3.564% *  0.5265% (0.95   0.02   0.32) =   0.027%
          HN    ALA   91 - HA    VAL   83  11.95 +/- 0.68   3.295% *  0.3601% (0.65   0.02   0.02) =   0.017%
          HN    THR   39 - HA    VAL   83  21.55 +/- 3.46   0.678% *  0.4254% (0.76   0.02   0.02) =   0.004%
          HN    ALA   61 - HA    VAL   83  19.43 +/- 2.34   0.836% *  0.3151% (0.57   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HA    VAL   83  17.32 +/- 2.83   1.404% *  0.1102% (0.20   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    VAL   83  23.04 +/- 4.96   0.639% *  0.1899% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.696, support = 1.51, residual support = 2.02:
          QD1   LEU   73 - HA    VAL   24   5.76 +/- 1.90  24.378% * 26.5884% (0.80   1.32   1.36) =  35.994%  kept
          QD1   LEU   63 - HA    VAL   24  13.28 +/- 5.13  13.530% * 37.6482% (0.80   1.87   0.92) =  28.287%  kept
          QD2   LEU   80 - HA    VAL   24   9.05 +/- 7.44  27.245% * 17.5403% (0.41   1.70   4.26) =  26.537%  kept
          QD2   LEU   63 - HA    VAL   24  13.24 +/- 4.46   9.460% * 14.0602% (0.92   0.61   0.92) =   7.387%  kept
          QD1   LEU   80 - HA    VAL   24  10.15 +/- 7.34   8.566% *  3.5241% (0.22   0.63   4.26) =   1.676%  kept
          QD1   LEU  104 - HA    VAL   24  16.12 +/- 4.67  10.666% *  0.1121% (0.22   0.02   0.02) =   0.066%
          QG2   VAL   41 - HA    VAL   24  11.32 +/- 2.92   2.507% *  0.1889% (0.38   0.02   0.02) =   0.026%
          QD2   LEU   98 - HA    VAL   24  12.61 +/- 4.15   3.212% *  0.1121% (0.22   0.02   0.02) =   0.020%
          QD2   LEU  115 - HA    VAL   24  17.73 +/- 3.19   0.436% *  0.2257% (0.45   0.02   0.02) =   0.005%
    Distance limit 3.11 A violated in 3 structures by 0.44 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.0:
      O T HB    VAL   24 - HA    VAL   24   2.59 +/- 0.29  95.837% * 98.9275% (1.00  10.0 10.00   3.97  65.04) =  99.994%  kept
        T HB2   PRO   68 - HA    VAL   24  20.88 +/- 4.21   0.415% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          QB    GLN   32 - HA    VAL   24  10.27 +/- 0.67   1.755% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    VAL   24  20.01 +/- 5.08   0.749% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    VAL   24  20.70 +/- 4.47   0.931% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  22.86 +/- 5.45   0.312% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 26.6:
        T HB3   TRP   27 - HA    VAL   24   3.60 +/- 0.38  89.306% * 99.7179% (1.00 10.00   3.00  26.62) =  99.994%  kept
          HB3   PHE   60 - HA    VAL   24  16.53 +/- 4.10   4.173% *  0.0448% (0.45  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - HA    VAL   24  17.08 +/- 3.62   2.637% *  0.0486% (0.49  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    VAL   24  18.20 +/- 3.37   1.201% *  0.0991% (0.99  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    VAL   24  18.68 +/- 3.69   0.996% *  0.0647% (0.65  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    VAL   24  17.91 +/- 3.01   1.687% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.0:
      O   HN    VAL   24 - HA    VAL   24   2.74 +/- 0.06 100.000% *100.0000% (0.97  10.0   4.34  65.04) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.869, support = 5.76, residual support = 31.9:
      O   HN    GLU-  25 - HA    VAL   24   3.60 +/- 0.03  52.820% * 84.2788% (0.92  10.0   5.65  34.70) =  86.283%  kept
          HN    ASN   28 - HA    VAL   24   3.82 +/- 0.37  45.252% * 15.6348% (0.53   1.0   6.51  14.46) =  13.713%  kept
          HN    ASP-  44 - HA    VAL   24  12.35 +/- 2.47   1.928% *  0.0864% (0.95   1.0   0.02   0.02) =   0.003%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.03, residual support = 26.6:
          HN    TRP   27 - HA    VAL   24   3.17 +/- 0.26  87.304% * 94.6655% (0.45   3.04  26.62) =  99.853%  kept
          HN    LYS+ 102 - HA    VAL   24  19.42 +/- 5.89   6.493% *  0.9552% (0.69   0.02   0.02) =   0.075%
          HD1   TRP   87 - HA    VAL   24  14.77 +/- 5.85   2.782% *  1.3783% (0.99   0.02   0.02) =   0.046%
          HN    THR   39 - HA    VAL   24  16.74 +/- 1.06   0.643% *  1.3631% (0.98   0.02   0.02) =   0.011%
          HN    GLU-  36 - HA    VAL   24  16.27 +/- 0.61   0.684% *  1.2062% (0.87   0.02   0.02) =   0.010%
          HN    ALA   61 - HA    VAL   24  16.08 +/- 3.56   1.651% *  0.1882% (0.14   0.02   0.02) =   0.004%
          HN    ALA   91 - HA    VAL   24  20.49 +/- 4.33   0.443% *  0.2435% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.25, residual support = 65.0:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  95.458% * 98.9402% (0.98  10.0 10.00   3.25  65.04) =  99.995%  kept
        T QG1   VAL   24 - HB2   PRO   68  19.40 +/- 4.52   0.499% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - HB    VAL   24  11.91 +/- 0.63   0.553% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  17.05 +/- 3.61   0.479% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.35 +/- 1.32   1.444% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.52 +/- 2.82   0.183% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  24.09 +/- 4.81   0.112% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.86 +/- 5.00   0.201% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  17.96 +/- 3.42   0.293% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  18.20 +/- 3.31   0.207% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.74 +/- 3.92   0.108% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.02 +/- 2.59   0.463% *  0.0081% (0.08   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 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.26, residual support = 65.0:
      O   QG2   VAL   24 - HB    VAL   24   2.11 +/- 0.02  94.416% * 99.6470% (1.00  10.0   3.26  65.04) =  99.996%  kept
          HG    LEU   63 - HB    VAL   24  17.27 +/- 5.55   2.838% *  0.0979% (0.98   1.0   0.02   0.92) =   0.003%
          QG2   VAL   24 - HB2   PRO   68  18.55 +/- 4.79   1.053% *  0.0589% (0.59   1.0   0.02   0.02) =   0.001%
          HG    LEU   63 - HB2   PRO   68  11.74 +/- 1.78   0.830% *  0.0579% (0.58   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HB    VAL   24  24.00 +/- 4.33   0.103% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  17.05 +/- 3.61   0.475% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.52 +/- 2.82   0.181% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  23.21 +/- 3.94   0.103% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.697, support = 1.49, residual support = 2.48:
          QD2   LEU   80 - HB    VAL   24   9.33 +/- 7.34  24.098% * 34.7756% (0.80   1.59   4.26) =  49.022%  kept
          QG1   VAL   83 - HB    VAL   24  10.05 +/- 6.35  12.269% * 28.6724% (0.87   1.21   0.24) =  20.578%  kept
          QD1   LEU   73 - HB    VAL   24   7.50 +/- 1.63  15.309% * 18.2113% (0.41   1.63   1.36) =  16.309%  kept
          QD1   LEU   63 - HB    VAL   24  14.50 +/- 5.23  14.538% * 15.8232% (0.41   1.41   0.92) =  13.457%  kept
          QD1   LEU  104 - HB    VAL   24  17.33 +/- 4.99  10.816% *  0.5256% (0.97   0.02   0.02) =   0.333%  kept
          QD1   LEU  104 - HB2   PRO   68  14.07 +/- 4.24   8.036% *  0.3109% (0.57   0.02   0.02) =   0.146%  kept
          QD1   LEU   63 - HB2   PRO   68  10.23 +/- 1.74   6.288% *  0.1325% (0.24   0.02   0.02) =   0.049%
          QD2   LEU  115 - HB2   PRO   68  16.35 +/- 2.57   2.620% *  0.2462% (0.45   0.02   0.02) =   0.038%
          QD2   LEU  115 - HB    VAL   24  18.32 +/- 3.63   1.026% *  0.4162% (0.76   0.02   0.02) =   0.025%
          QD1   LEU   73 - HB2   PRO   68  14.08 +/- 1.34   1.591% *  0.1325% (0.24   0.02   0.02) =   0.012%
          QG2   ILE   89 - HB    VAL   24  14.01 +/- 4.41   1.368% *  0.1358% (0.25   0.02   0.02) =   0.011%
          QG1   VAL   83 - HB2   PRO   68  19.22 +/- 3.03   0.595% *  0.2795% (0.51   0.02   0.02) =   0.010%
          QD2   LEU   80 - HB2   PRO   68  19.68 +/- 2.35   0.423% *  0.2580% (0.47   0.02   0.02) =   0.006%
          QG2   ILE   89 - HB2   PRO   68  18.91 +/- 2.67   1.022% *  0.0803% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.92 A violated in 3 structures by 0.49 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.869, support = 4.02, residual support = 64.0:
      O T HA    VAL   24 - HB    VAL   24   2.59 +/- 0.29  74.656% * 89.0301% (0.90  10.0 10.00   3.97  65.04) =  96.542%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.10  23.123% * 10.2842% (0.10  10.0  1.00   5.47  36.08) =   3.454%  kept
        T HA    VAL   24 - HB2   PRO   68  20.88 +/- 4.21   0.326% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  38 - HB2   PRO   68  15.76 +/- 2.42   0.667% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  19.37 +/- 1.74   0.214% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.84 +/- 5.48   1.013% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.25, residual support = 65.0:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.02  94.309% * 98.6521% (0.92  10.0 10.00   3.25  65.04) =  99.991%  kept
        T HB2   PRO   68 - QG1   VAL   24  19.40 +/- 4.52   0.494% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          HG3   GLU- 100 - QG1   VAL   24  18.26 +/- 5.14   1.615% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLN   32 - QG1   VAL   24  10.13 +/- 0.79   0.923% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - QG1   VAL   24  18.73 +/- 4.53   1.419% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - QG1   VAL   24  16.83 +/- 3.72   0.807% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  20.02 +/- 4.87   0.294% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  21.97 +/- 4.30   0.138% *  0.0238% (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 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.398, support = 5.59, residual support = 31.1:
      O   HN    ASN   69 - HB2   PRO   68   3.79 +/- 0.72  39.440% * 43.2137% (0.20  10.0   5.84  30.56) =  48.857%  kept
          HN    GLU-  25 - HB    VAL   24   3.60 +/- 0.65  45.901% * 33.0899% (0.53   1.0   5.87  34.70) =  43.540%  kept
          HN    ASN   28 - HB    VAL   24   5.76 +/- 0.30  11.395% * 23.2468% (0.92   1.0   2.35  14.46) =   7.593%  kept
          HN    ASP-  44 - HB    VAL   24  13.66 +/- 2.78   1.639% *  0.1213% (0.57   1.0   0.02   0.02) =   0.006%
          HN    ASP-  44 - HB2   PRO   68  15.67 +/- 1.44   0.655% *  0.0717% (0.33   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   PRO   68  20.34 +/- 3.92   0.305% *  0.1169% (0.55   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  20.64 +/- 4.46   0.430% *  0.0731% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  22.99 +/- 4.66   0.236% *  0.0667% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.0:
      O   HN    VAL   24 - HB    VAL   24   2.46 +/- 0.16  99.681% * 99.9409% (0.38  10.0   4.68  65.04) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  22.41 +/- 4.42   0.319% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.08, residual support = 65.0:
          HN    VAL   24 - QG1   VAL   24   2.08 +/- 0.21 100.000% *100.0000% (0.73   4.08  65.04) = 100.000%  kept
    Distance limit 3.23 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   2.96 +/- 0.32  85.805% * 88.7296% (0.41  10.0   6.14 127.45) =  98.099%  kept
          HN    ASN   28 - HB2   GLU-  25   5.67 +/- 0.12  13.314% * 11.0769% (0.98   1.0   1.05   3.84) =   1.900%  kept
          HN    ASP-  44 - HB2   GLU-  25  17.27 +/- 2.14   0.540% *  0.0968% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   GLU-  25  21.90 +/- 3.52   0.341% *  0.0968% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.427, support = 5.76, residual support = 124.1:
      O   HN    GLU-  25 - HB3   GLU-  25   2.49 +/- 0.69  87.678% * 82.2079% (0.41  10.0   5.88 127.45) =  97.268%  kept
          HN    ASN   28 - HB3   GLU-  25   5.90 +/- 0.15  11.492% * 17.6128% (0.98   1.0   1.80   3.84) =   2.731%  kept
          HN    ASN   69 - HB3   GLU-  25  22.43 +/- 3.79   0.442% *  0.0897% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB3   GLU-  25  17.49 +/- 2.25   0.388% *  0.0897% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.23, residual support = 31.6:
          HN    THR   26 - HB3   GLU-  25   3.43 +/- 0.18  99.194% * 98.7376% (0.34   5.23  31.59) =  99.994%  kept
          HN    LEU   71 - HB3   GLU-  25  19.16 +/- 1.43   0.618% *  0.8466% (0.76   0.02   0.02) =   0.005%
          HN    GLU- 114 - HB3   GLU-  25  29.99 +/- 3.69   0.187% *  0.4158% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.93, residual support = 2.86:
          HN    SER   85 - HA    SER   82   3.61 +/- 0.22  77.244% * 86.4498% (0.26   2.96   2.89) =  98.822%  kept
          HN    LEU   80 - HA    SER   82   7.47 +/- 0.62   9.749% *  6.3779% (0.10   0.57   0.37) =   0.920%  kept
          HN    GLN   32 - HA    GLU-  25   9.33 +/- 0.57   4.709% *  2.2541% (1.00   0.02   0.02) =   0.157%  kept
          HN    SER   85 - HA    GLU-  25  19.68 +/- 7.26   1.280% *  1.8049% (0.80   0.02   0.02) =   0.034%
          HN    ALA   34 - HA    GLU-  25  12.53 +/- 0.62   1.929% *  0.9267% (0.41   0.02   0.02) =   0.026%
          HN    LEU   80 - HA    GLU-  25  16.25 +/- 6.15   2.458% *  0.6957% (0.31   0.02   0.02) =   0.025%
          HN    GLN   32 - HA    SER   82  22.03 +/- 6.74   0.660% *  0.7302% (0.32   0.02   0.02) =   0.007%
          HN    CYS   53 - HA    GLU-  25  25.06 +/- 4.72   1.060% *  0.3478% (0.15   0.02   0.02) =   0.005%
          HN    ALA   34 - HA    SER   82  23.17 +/- 5.26   0.420% *  0.3002% (0.13   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    SER   82  21.02 +/- 3.14   0.490% *  0.1127% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.479, support = 5.56, residual support = 112.6:
      O   HN    GLU-  25 - HA    GLU-  25   2.72 +/- 0.04  71.585% * 71.9300% (0.41  10.0   5.88 127.45) =  88.001%  kept
          HN    ASN   28 - HA    GLU-  25   3.86 +/- 0.17  25.266% * 27.7834% (0.98   1.0   3.24   3.84) =  11.997%  kept
          HN    ASN   28 - HA    SER   82  18.30 +/- 7.43   0.722% *  0.0556% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HA    GLU-  25  21.24 +/- 4.21   0.406% *  0.0784% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HA    GLU-  25  16.27 +/- 2.06   0.387% *  0.0784% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    SER   82  17.93 +/- 8.34   1.052% *  0.0233% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.15 +/- 2.08   0.496% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  26.18 +/- 2.03   0.086% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 3.97, residual support = 8.12:
          HN    ALA   84 - HA    SER   82   4.16 +/- 0.16  48.453% * 52.9298% (0.20   5.32  10.37) =  65.769%  kept
          HD21  ASN   28 - HA    GLU-  25   4.82 +/- 0.29  31.613% * 42.0007% (0.61   1.37   3.84) =  34.050%  kept
          HN    ILE   56 - HA    GLU-  25  24.73 +/- 4.89   1.455% *  0.9573% (0.95   0.02   0.02) =   0.036%
          HN    LEU   63 - HA    GLU-  25  19.90 +/- 4.55   1.053% *  1.0030% (0.99   0.02   0.02) =   0.027%
          HZ2   TRP   87 - HA    GLU-  25  16.45 +/- 6.24   2.400% *  0.4160% (0.41   0.02   0.02) =   0.026%
          HD21  ASN   28 - HA    SER   82  16.70 +/- 8.39   4.709% *  0.1988% (0.20   0.02   0.02) =   0.024%
          HN    ALA   84 - HA    GLU-  25  18.05 +/- 6.82   1.525% *  0.6138% (0.61   0.02   0.02) =   0.024%
          HE21  GLN   32 - HA    GLU-  25  10.73 +/- 2.01   3.967% *  0.2253% (0.22   0.02   0.02) =   0.023%
          HZ2   TRP   87 - HA    SER   82  10.57 +/- 0.76   3.150% *  0.1348% (0.13   0.02   0.02) =   0.011%
          HN    LEU   63 - HA    SER   82  22.14 +/- 1.70   0.339% *  0.3249% (0.32   0.02   0.02) =   0.003%
          HN    ILE   56 - HA    SER   82  23.07 +/- 2.56   0.330% *  0.3101% (0.31   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HA    GLU-  25  28.80 +/- 3.65   0.166% *  0.6138% (0.61   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HA    SER   82  21.99 +/- 2.75   0.368% *  0.1988% (0.20   0.02   0.02) =   0.002%
          HE21  GLN   32 - HA    SER   82  24.70 +/- 7.90   0.473% *  0.0730% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.969, support = 1.12, residual support = 3.73:
          HB2   ASN   28 - HA    GLU-  25   3.47 +/- 0.36  68.893% * 79.7951% (0.99   1.13   3.84) =  97.155%  kept
          HB2   ASP-  86 - HA    SER   82   6.65 +/- 0.71  11.858% * 12.6264% (0.24   0.76   0.02) =   2.646%  kept
          QE    LYS+  33 - HA    GLU-  25  11.67 +/- 1.79   2.292% *  1.4183% (1.00   0.02   0.02) =   0.057%
          QE    LYS+  65 - HA    GLU-  25  18.06 +/- 5.33   1.578% *  1.3122% (0.92   0.02   0.02) =   0.037%
          HB2   ASP-  86 - HA    GLU-  25  17.93 +/- 7.05   1.688% *  1.0322% (0.73   0.02   0.02) =   0.031%
          HB2   ASP-  78 - HA    SER   82  11.05 +/- 1.61   4.766% *  0.2793% (0.20   0.02   0.02) =   0.024%
          HB2   ASN   28 - HA    SER   82  19.60 +/- 7.94   1.338% *  0.4564% (0.32   0.02   0.02) =   0.011%
          HB2   ASP-  78 - HA    GLU-  25  18.54 +/- 2.98   0.610% *  0.8622% (0.61   0.02   0.02) =   0.009%
          HB2   ASN   35 - HA    GLU-  25  15.81 +/- 1.05   0.789% *  0.5335% (0.38   0.02   0.02) =   0.007%
          QE    LYS+  65 - HA    SER   82  21.03 +/- 4.42   0.893% *  0.4251% (0.30   0.02   0.02) =   0.007%
          HB2   ASP-  76 - HA    GLU-  25  15.58 +/- 3.33   1.184% *  0.2813% (0.20   0.02   0.02) =   0.006%
          HB2   ASP-  76 - HA    SER   82  11.15 +/- 1.47   2.796% *  0.0911% (0.06   0.02   0.02) =   0.005%
          QE    LYS+  33 - HA    SER   82  22.10 +/- 4.73   0.428% *  0.4594% (0.32   0.02   0.02) =   0.003%
          HB2   ASN   69 - HA    GLU-  25  22.77 +/- 3.89   0.481% *  0.1924% (0.14   0.02   0.02) =   0.002%
          HB2   ASN   35 - HA    SER   82  26.56 +/- 5.91   0.248% *  0.1728% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    SER   82  27.55 +/- 2.40   0.156% *  0.0623% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.319, support = 2.75, residual support = 10.3:
          QB    ALA   84 - HA    SER   82   4.41 +/- 0.13  41.377% * 78.9577% (0.32   2.78  10.37) =  98.925%  kept
          HG3   LYS+ 102 - HA    GLU-  25  23.15 +/- 7.07  10.227% *  0.7925% (0.45   0.02   0.02) =   0.245%  kept
          HB3   LEU   80 - HA    SER   82   6.37 +/- 1.06  17.152% *  0.2787% (0.16   0.02   0.37) =   0.145%  kept
          QB    ALA   84 - HA    GLU-  25  16.46 +/- 5.10   1.677% *  1.7521% (0.99   0.02   0.02) =   0.089%
          HB3   LEU   80 - HA    GLU-  25  15.99 +/- 7.48   3.204% *  0.8604% (0.49   0.02   0.02) =   0.083%
          HB2   LEU   31 - HA    GLU-  25   9.31 +/- 0.37   4.484% *  0.6030% (0.34   0.02   0.02) =   0.082%
          HG    LEU   98 - HA    GLU-  25  17.92 +/- 4.87   1.203% *  1.6722% (0.95   0.02   0.02) =   0.061%
          HB3   LEU   73 - HA    GLU-  25  11.86 +/- 2.14   2.540% *  0.7267% (0.41   0.02   0.02) =   0.056%
          HB2   LEU   63 - HA    GLU-  25  19.64 +/- 4.86   1.466% *  1.0722% (0.61   0.02   0.02) =   0.048%
          HG3   LYS+  65 - HA    GLU-  25  19.63 +/- 5.60   2.141% *  0.6030% (0.34   0.02   0.02) =   0.039%
          HG3   LYS+  33 - HA    GLU-  25  11.84 +/- 1.03   2.346% *  0.4915% (0.28   0.02   0.02) =   0.035%
          HB3   ASP-  44 - HA    GLU-  25  18.12 +/- 2.02   0.679% *  1.2836% (0.73   0.02   0.02) =   0.026%
          QB    ALA  124 - HA    GLU-  25  25.57 +/- 6.13   0.398% *  1.5334% (0.87   0.02   0.02) =   0.018%
          HG    LEU   98 - HA    SER   82  16.76 +/- 2.88   1.084% *  0.5417% (0.31   0.02   0.02) =   0.018%
          HB3   PRO   93 - HA    GLU-  25  22.99 +/- 2.47   0.328% *  1.7638% (1.00   0.02   0.02) =   0.018%
          HB3   PRO   93 - HA    SER   82  17.12 +/- 1.74   0.826% *  0.5714% (0.32   0.02   0.02) =   0.014%
          HB3   ASP-  44 - HA    SER   82  16.51 +/- 1.87   1.083% *  0.4158% (0.24   0.02   0.02) =   0.014%
          HB    VAL   42 - HA    GLU-  25  17.52 +/- 1.47   0.689% *  0.6030% (0.34   0.02   0.02) =   0.013%
          HG3   LYS+ 106 - HA    GLU-  25  22.62 +/- 3.55   0.357% *  1.1435% (0.65   0.02   0.02) =   0.012%
          HG3   LYS+ 106 - HA    SER   82  17.45 +/- 2.63   0.816% *  0.3704% (0.21   0.02   0.02) =   0.009%
          HB2   LYS+ 112 - HA    GLU-  25  27.86 +/- 4.88   0.287% *  0.9300% (0.53   0.02   0.02) =   0.008%
          HB3   LEU   73 - HA    SER   82  17.41 +/- 2.90   0.858% *  0.2354% (0.13   0.02   0.02) =   0.006%
          HB2   LEU   31 - HA    SER   82  20.50 +/- 6.81   0.983% *  0.1953% (0.11   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - HA    SER   82  21.66 +/- 4.45   0.691% *  0.2567% (0.15   0.02   0.02) =   0.005%
          QB    ALA  124 - HA    SER   82  28.52 +/- 4.20   0.346% *  0.4967% (0.28   0.02   0.02) =   0.005%
          HB2   LEU   63 - HA    SER   82  21.72 +/- 2.22   0.395% *  0.3473% (0.20   0.02   0.02) =   0.004%
          HB    VAL   42 - HA    SER   82  19.57 +/- 1.78   0.528% *  0.1953% (0.11   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HA    SER   82  23.07 +/- 4.14   0.496% *  0.1953% (0.11   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HA    SER   82  24.25 +/- 3.04   0.296% *  0.3013% (0.17   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HA    SER   82  23.43 +/- 5.55   0.498% *  0.1592% (0.09   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    GLU-  25  29.99 +/- 4.25   0.157% *  0.4915% (0.28   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    SER   82  22.67 +/- 3.70   0.389% *  0.1592% (0.09   0.02   0.02) =   0.002%
    Distance limit 3.62 A violated in 0 structures by 0.63 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.557, support = 0.02, residual support = 0.02:
          HB2   LEU  104 - HA    GLU-  25  22.69 +/- 4.91  11.461% * 19.8967% (0.80   0.02   0.02) =  23.936%  kept
          QG2   VAL  108 - HA    SER   82  13.96 +/- 3.08  25.106% *  7.4304% (0.30   0.02   0.02) =  19.581%  kept
          QG2   VAL  108 - HA    GLU-  25  20.94 +/- 3.18   8.093% * 22.9376% (0.92   0.02   0.02) =  19.486%  kept
          QD1   ILE  119 - HA    GLU-  25  20.56 +/- 3.83   7.718% * 12.0948% (0.49   0.02   0.02) =   9.799%  kept
          HG    LEU   63 - HA    GLU-  25  19.66 +/- 4.92  15.005% *  5.5320% (0.22   0.02   0.02) =   8.713%  kept
          HG3   LYS+ 112 - HA    GLU-  25  27.46 +/- 4.70   3.662% * 15.0711% (0.61   0.02   0.02) =   5.793%  kept
          HB2   LEU  104 - HA    SER   82  21.80 +/- 3.15   7.085% *  6.4453% (0.26   0.02   0.02) =   4.793%  kept
          HG3   LYS+ 112 - HA    SER   82  23.28 +/- 3.64   6.464% *  4.8821% (0.20   0.02   0.02) =   3.312%  kept
          QD1   ILE  119 - HA    SER   82  20.54 +/- 2.10   7.569% *  3.9180% (0.16   0.02   0.02) =   3.113%  kept
          HG    LEU   63 - HA    SER   82  21.69 +/- 2.18   7.838% *  1.7920% (0.07   0.02   0.02) =   1.474%  kept
    Distance limit 3.99 A violated in 20 structures by 7.52 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.276, support = 2.94, residual support = 20.0:
          HB2   GLU-  25 - HA    THR   26   4.11 +/- 0.23  22.596% * 78.9242% (0.31   4.07  31.59) =  62.120%  kept
          HB2   GLU-  29 - HA    THR   26   2.64 +/- 0.54  70.986% * 15.2566% (0.22   1.09   0.89) =  37.724%  kept
          QG    GLN   17 - HA    THR   26  13.49 +/- 3.69   4.046% *  0.5164% (0.41   0.02   0.02) =   0.073%
          HG2   GLU- 100 - HA    THR   26  20.36 +/- 4.79   0.786% *  1.1881% (0.95   0.02   0.02) =   0.033%
          HB3   ASP-  76 - HA    THR   26  16.07 +/- 3.18   0.598% *  1.1264% (0.90   0.02   0.02) =   0.023%
          HB2   MET   96 - HA    THR   26  18.65 +/- 2.78   0.299% *  1.1264% (0.90   0.02   0.02) =   0.012%
          HB    VAL   70 - HA    THR   26  16.71 +/- 2.24   0.428% *  0.6114% (0.49   0.02   0.02) =   0.009%
          HB2   ASP- 105 - HA    THR   26  23.46 +/- 2.80   0.155% *  0.8628% (0.69   0.02   0.02) =   0.005%
          HG3   MET   92 - HA    THR   26  25.93 +/- 2.93   0.106% *  0.3877% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.87, residual support = 34.7:
      O   HN    THR   26 - HA    THR   26   2.87 +/- 0.02  99.132% * 99.6670% (0.34  10.0   4.87  34.67) =  99.998%  kept
          HN    LEU   71 - HA    THR   26  15.40 +/- 1.74   0.747% *  0.2233% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU- 114 - HA    THR   26  28.74 +/- 3.46   0.121% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.552, support = 1.31, residual support = 3.72:
          HN    GLN   30 - HA    THR   26   4.31 +/- 0.37  28.717% * 80.4694% (0.69   1.51   4.89) =  70.686%  kept
          HN    GLU-  29 - HA    THR   26   3.19 +/- 0.10  66.186% * 14.3678% (0.22   0.83   0.89) =  29.088%  kept
          HN    GLU-  14 - HA    THR   26  15.58 +/- 4.52   3.760% *  1.5248% (0.98   0.02   0.02) =   0.175%  kept
          HE1   HIS  122 - HA    THR   26  21.13 +/- 5.54   0.473% *  1.3951% (0.90   0.02   0.02) =   0.020%
          HN    LYS+  99 - HA    THR   26  19.78 +/- 4.05   0.450% *  1.2993% (0.84   0.02   0.02) =   0.018%
          HN    ASP-  86 - HA    THR   26  20.69 +/- 5.93   0.413% *  0.9435% (0.61   0.02   0.02) =   0.012%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2412 (7.36, 4.23, 69.37 ppm):
    6 chemical-shift based assignments, quality = 0.456, support = 2.3, residual support = 11.5:
          HN    THR   23 - HB    THR   26   4.04 +/- 0.29  64.456% * 72.7358% (0.38   2.61  13.25) =  86.723%  kept
          HD2   HIS   22 - HB    THR   26   6.25 +/- 1.71  30.832% * 23.1262% (0.99   0.31   0.02) =  13.189%  kept
          HN    LEU   67 - HB    THR   26  17.10 +/- 3.31   1.733% *  1.1362% (0.76   0.02   0.02) =   0.036%
          HD21  ASN   35 - HB    THR   26  15.73 +/- 1.58   1.391% *  1.0212% (0.69   0.02   0.02) =   0.026%
          HD1   TRP   49 - HB    THR   26  23.18 +/- 3.83   0.578% *  1.4735% (0.99   0.02   0.02) =   0.016%
          QE    PHE   95 - HB    THR   26  17.48 +/- 1.94   1.010% *  0.5071% (0.34   0.02   0.02) =   0.009%
    Distance limit 3.73 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.46, residual support = 22.7:
          HN    TRP   27 - HB    THR   26   2.86 +/- 0.12  95.802% * 98.0868% (0.84   4.46  22.71) =  99.988%  kept
          HN    THR   39 - HB    THR   26  16.33 +/- 1.56   0.575% *  0.4723% (0.90   0.02   0.02) =   0.003%
          HD1   TRP   87 - HB    THR   26  18.40 +/- 4.71   0.589% *  0.4568% (0.87   0.02   0.02) =   0.003%
          HN    ALA   61 - HB    THR   26  17.04 +/- 3.82   1.041% *  0.2165% (0.41   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB    THR   26  15.32 +/- 0.95   0.656% *  0.2564% (0.49   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB    THR   26  21.40 +/- 5.55   0.712% *  0.1626% (0.31   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   26  23.61 +/- 2.89   0.197% *  0.2564% (0.49   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    THR   26  20.24 +/- 4.18   0.429% *  0.0922% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 34.7:
      O   HN    THR   26 - HB    THR   26   2.17 +/- 0.09  99.679% * 99.9615% (0.80  10.0   4.16  34.67) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.38 +/- 1.53   0.321% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.603, support = 0.535, residual support = 0.942:
          HA    ALA   20 - QG2   THR   26   5.80 +/- 1.15  32.995% * 71.0057% (0.87   0.40   0.14) =  61.719%  kept
          HA    CYS   21 - QG2   THR   26   4.19 +/- 1.86  54.257% * 26.5573% (0.18   0.75   2.26) =  37.960%  kept
          HA    LYS+ 102 - QG2   THR   26  17.76 +/- 4.49   3.561% *  1.8130% (0.45   0.02   0.02) =   0.170%  kept
          HA    LEU   71 - QG2   THR   26  10.60 +/- 2.24   9.187% *  0.6239% (0.15   0.02   0.02) =   0.151%  kept
    Distance limit 3.49 A violated in 5 structures by 0.66 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.834, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  11.18 +/- 3.48  32.394% * 18.7520% (0.92   0.02   0.02) =  42.262%  kept
          HG2   MET   11 - QG2   THR   26  16.35 +/- 3.92  12.202% * 19.2160% (0.95   0.02   0.02) =  16.312%  kept
          HG2   PRO   58 - QG2   THR   26  18.22 +/- 4.21  13.268% * 17.6208% (0.87   0.02   0.02) =  16.266%  kept
          HG3   PRO   52 - QG2   THR   26  21.14 +/- 4.45   7.540% * 17.6208% (0.87   0.02   0.02) =   9.244%  kept
          HB2   PRO   93 - QG2   THR   26  18.04 +/- 2.09   9.417% * 12.3210% (0.61   0.02   0.02) =   8.072%  kept
          HB2   ARG+  54 - QG2   THR   26  20.33 +/- 3.82   7.654% *  6.2698% (0.31   0.02   0.02) =   3.339%  kept
          HB2   PRO   68 - QG2   THR   26  16.16 +/- 2.40  12.438% *  3.1343% (0.15   0.02   0.02) =   2.712%  kept
          HB    VAL  108 - QG2   THR   26  21.22 +/- 1.57   5.086% *  5.0653% (0.25   0.02   0.02) =   1.792%  kept
    Distance limit 3.48 A violated in 18 structures by 5.94 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 = 4.87:
        T HG2   GLN   30 - QG2   THR   26   3.33 +/- 0.68  83.263% * 96.7943% (0.99 10.00   0.75   4.89) =  99.588%  kept
          HB3   ASN   28 - QG2   THR   26   7.11 +/- 0.23  11.001% *  2.9753% (0.97  1.00   0.24   0.42) =   0.404%  kept
          QE    LYS+ 121 - QG2   THR   26  17.60 +/- 4.39   2.175% *  0.1580% (0.61  1.00   0.02   0.02) =   0.004%
          HB3   HIS  122 - QG2   THR   26  17.48 +/- 5.21   3.560% *  0.0724% (0.28  1.00   0.02   0.02) =   0.003%
    Distance limit 3.47 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.938, support = 3.33, residual support = 14.1:
          QD1   LEU   73 - HB3   TRP   27   3.46 +/- 2.25  39.059% * 42.3563% (1.00   3.70  21.30) =  57.129%  kept
          QD2   LEU   80 - HB3   TRP   27   9.19 +/- 6.97  27.234% * 30.2545% (0.80   3.30   5.86) =  28.452%  kept
          QD1   LEU   63 - HB3   TRP   27  11.35 +/- 4.49  16.425% * 23.7587% (1.00   2.07   2.18) =  13.476%  kept
          QD2   LEU   63 - HB3   TRP   27  11.16 +/- 3.79  11.552% *  1.8820% (0.57   0.29   2.18) =   0.751%  kept
          QG1   VAL   83 - HB3   TRP   27   9.87 +/- 5.24   3.705% *  1.4276% (0.18   0.71   0.32) =   0.183%  kept
          QD1   LEU  104 - HB3   TRP   27  14.37 +/- 4.13   1.882% *  0.1297% (0.57   0.02   0.02) =   0.008%
          QD2   LEU  115 - HB3   TRP   27  16.25 +/- 2.93   0.143% *  0.1914% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 26.6:
        T HA    VAL   24 - HB3   TRP   27   3.60 +/- 0.38  92.171% * 98.5200% (0.76 10.00   3.00  26.62) =  99.966%  kept
        T HA    LYS+  38 - HB3   TRP   27  14.82 +/- 1.64   1.986% *  1.2636% (0.98 10.00   0.02   0.02) =   0.028%
        T HA    GLU- 100 - HB3   TRP   27  17.05 +/- 4.12   2.449% *  0.1989% (0.15 10.00   0.02   0.02) =   0.005%
          HA    VAL   83 - HB3   TRP   27  14.13 +/- 6.00   3.394% *  0.0174% (0.14  1.00   0.02   0.32) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 26.6:
          HA    VAL   24 - HB2   TRP   27   2.10 +/- 0.31  97.335% * 99.1878% (0.97   3.00  26.62) =  99.995%  kept
          HA    LYS+  38 - HB2   TRP   27  15.68 +/- 1.46   0.340% *  0.5487% (0.80   0.02   0.02) =   0.002%
          HD2   PRO   68 - HB2   TRP   27  17.95 +/- 3.72   0.881% *  0.1709% (0.25   0.02   0.02) =   0.002%
          HA    ALA   61 - HB2   TRP   27  13.82 +/- 3.38   1.443% *  0.0927% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2422 (0.59, 3.56, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.924, support = 3.32, residual support = 12.5:
          QD1   LEU   73 - HB2   TRP   27   4.55 +/- 2.07  32.401% * 38.1732% (0.90   3.78  21.30) =  46.600%  kept
          QD2   LEU   80 - HB2   TRP   27   9.25 +/- 7.28  29.497% * 35.7422% (0.98   3.24   5.86) =  39.723%  kept
          QD1   LEU   63 - HB2   TRP   27  12.38 +/- 4.86  15.718% * 21.2763% (0.90   2.10   2.18) =  12.600%  kept
          QG1   VAL   83 - HB2   TRP   27  10.00 +/- 5.65   5.089% *  3.4528% (0.38   0.82   0.32) =   0.662%  kept
          QD2   LEU   63 - HB2   TRP   27  12.24 +/- 4.17  10.238% *  0.9439% (0.31   0.27   2.18) =   0.364%  kept
          QD1   LEU  104 - HB2   TRP   27  15.19 +/- 4.30   6.820% *  0.1883% (0.84   0.02   0.02) =   0.048%
          QD2   LEU  115 - HB2   TRP   27  17.14 +/- 3.11   0.236% *  0.2234% (0.99   0.02   0.02) =   0.002%
    Distance limit 3.76 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 = 19.8:
          QD1   LEU   31 - HA    ASN   28   3.26 +/- 0.86 100.000% *100.0000% (0.76   3.13  19.75) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.222, support = 5.24, residual support = 92.4:
      O T HA    GLU-  29 - HG3   GLU-  29   3.46 +/- 0.19  86.846% * 97.0747% (0.22  10.0 10.00   5.25  92.52) =  99.885%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.62 +/- 1.26   5.350% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.094%
          HB2   SER   37 - HG3   GLU-  29  14.95 +/- 2.09   1.399% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          HA1   GLY   16 - HG3   GLU-  29  17.93 +/- 4.30   1.931% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          HA    VAL   70 - HG3   GLU-  29  17.88 +/- 1.96   0.745% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - HG3   GLU-  29  14.74 +/- 2.75   2.272% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HG3   GLU-  29  20.92 +/- 8.31   1.209% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   GLU-  29  27.97 +/- 4.52   0.247% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 100.9:
      O   HD1   TRP   27 - HB2   TRP   27   2.69 +/- 0.11  87.969% * 99.7286% (0.98  10.0   3.65 100.96) =  99.987%  kept
          HE21  GLN   30 - HB2   TRP   27   7.07 +/- 2.12  10.933% *  0.0939% (0.92   1.0   0.02   0.02) =   0.012%
          QD    PHE   59 - HB2   TRP   27  16.25 +/- 3.25   0.837% *  0.0997% (0.98   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   TRP   27  21.91 +/- 3.68   0.262% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 5.38, residual support = 101.0:
      O   HN    TRP   27 - HB2   TRP   27   2.06 +/- 0.06  96.669% * 99.5184% (0.76  10.0   5.39 100.96) =  99.998%  kept
          HD1   TRP   87 - HB2   TRP   27  14.66 +/- 5.29   0.689% *  0.1202% (0.92   1.0   0.02   5.59) =   0.001%
          HN    LYS+ 102 - HB2   TRP   27  18.49 +/- 5.19   0.838% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  15.05 +/- 1.11   0.258% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  15.19 +/- 3.53   0.617% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.66 +/- 0.61   0.272% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  16.39 +/- 4.74   0.525% *  0.0176% (0.14   1.0   0.02   5.59) =   0.000%
          HN    ALA   91 - HB2   TRP   27  20.38 +/- 3.52   0.133% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.909, support = 5.23, residual support = 46.5:
          HN    ASN   28 - HB2   TRP   27   3.09 +/- 0.22  76.019% * 93.2304% (0.92   5.29  47.32) =  98.143%  kept
          HN    GLU-  25 - HB2   TRP   27   4.79 +/- 0.29  20.905% *  6.3971% (0.15   2.17   0.62) =   1.852%  kept
          HN    ASN   69 - HB2   TRP   27  17.58 +/- 2.66   0.732% *  0.3056% (0.80   0.02   0.02) =   0.003%
          HN    ASP-  44 - HB2   TRP   27  11.30 +/- 2.31   2.343% *  0.0668% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.56 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 = 97.8:
      O   HE3   TRP   27 - HB3   TRP   27   2.67 +/- 0.20  75.417% * 86.6750% (0.76  10.0   4.50 100.96) =  96.862%  kept
          HN    THR   23 - HB3   TRP   27   4.98 +/- 0.85  16.292% * 12.9760% (0.98   1.0   2.33   1.20) =   3.133%  kept
          HD2   HIS   22 - HB3   TRP   27   7.94 +/- 1.26   5.960% *  0.0253% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HB3   TRP   27  14.48 +/- 3.09   1.086% *  0.0779% (0.69   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   TRP   27  13.86 +/- 1.81   0.657% *  0.1124% (0.99   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB3   TRP   27  19.75 +/- 3.63   0.356% *  0.0947% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  20.16 +/- 3.12   0.231% *  0.0387% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.08, residual support = 100.9:
      O   HD1   TRP   27 - HB3   TRP   27   3.76 +/- 0.10  63.051% * 99.7286% (0.98  10.0   4.08 100.96) =  99.945%  kept
          HE21  GLN   30 - HB3   TRP   27   6.00 +/- 2.10  34.110% *  0.0939% (0.92   1.0   0.02   0.02) =   0.051%
          QD    PHE   59 - HB3   TRP   27  15.24 +/- 3.08   2.182% *  0.0997% (0.98   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HB3   TRP   27  21.06 +/- 3.67   0.657% *  0.0778% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 4.00 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 = 101.0:
      O   HN    TRP   27 - HB3   TRP   27   3.06 +/- 0.17  88.631% * 99.5184% (0.76  10.0   5.64 100.96) =  99.992%  kept
          HD1   TRP   87 - HB3   TRP   27  14.23 +/- 4.80   1.762% *  0.1202% (0.92   1.0   0.02   5.59) =   0.002%
          HN    ALA   61 - HB3   TRP   27  13.92 +/- 3.31   3.499% *  0.0444% (0.34   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HB3   TRP   27  14.04 +/- 1.34   1.100% *  0.1232% (0.95   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB3   TRP   27  17.86 +/- 4.62   2.142% *  0.0489% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   TRP   27  14.07 +/- 0.81   1.007% *  0.0737% (0.57   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB3   TRP   27  15.84 +/- 4.29   1.468% *  0.0176% (0.14   1.0   0.02   5.59) =   0.000%
          HN    ALA   91 - HB3   TRP   27  19.74 +/- 3.14   0.392% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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   4.15 +/- 0.07  97.896% * 99.4709% (0.65   5.76  47.32) =  99.989%  kept
          HN    ASN   69 - HB3   TRP   27  16.34 +/- 2.11   2.104% *  0.5291% (0.99   0.02   0.02) =   0.011%
    Distance limit 3.80 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.222, support = 4.36, residual support = 19.7:
          HN    LEU   31 - HA    ASN   28   3.37 +/- 0.14  91.933% * 95.9745% (0.22   4.37  19.75) =  99.901%  kept
          HN    ARG+  54 - HA    ASN   28  23.86 +/- 4.52   3.292% *  1.1969% (0.61   0.02   0.02) =   0.045%
          HN    LYS+  38 - HA    ASN   28  12.67 +/- 0.76   1.843% *  1.9343% (0.98   0.02   0.02) =   0.040%
          HN    SER   37 - HA    ASN   28  12.47 +/- 0.53   1.845% *  0.3456% (0.18   0.02   0.02) =   0.007%
          HN    ASP-  62 - HA    ASN   28  18.03 +/- 3.66   1.087% *  0.5487% (0.28   0.02   0.02) =   0.007%
    Distance limit 4.08 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 = 19.6:
          HN    GLN   30 - HA    ASN   28   3.91 +/- 0.12  83.849% * 95.6339% (0.18   6.85  19.60) =  99.817%  kept
          HN    GLU-  14 - HA    ASN   28  17.50 +/- 3.49   4.295% *  1.1574% (0.73   0.02   0.02) =   0.062%
          HE1   HIS  122 - HA    ASN   28  19.09 +/- 5.64   2.767% *  1.3825% (0.87   0.02   0.02) =   0.048%
          HN    LYS+  99 - HA    ASN   28  15.86 +/- 3.94   2.398% *  1.4713% (0.92   0.02   0.02) =   0.044%
          HN    ASN   35 - HA    ASN   28   9.31 +/- 0.64   6.691% *  0.3548% (0.22   0.02   0.02) =   0.030%
    Distance limit 4.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.31, residual support = 94.8:
      O   HN    ASN   28 - HB2   ASN   28   2.46 +/- 0.17  97.960% * 99.7686% (0.65  10.0   6.31  94.83) =  99.998%  kept
          HN    ASN   69 - HB2   ASN   28  19.61 +/- 3.89   0.589% *  0.1529% (0.99   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   ASN   35  17.37 +/- 3.41   0.748% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   35  13.08 +/- 1.00   0.704% *  0.0310% (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 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.56, residual support = 94.8:
      O   HD22  ASN   28 - HB3   ASN   28   3.37 +/- 0.14  97.341% * 99.9746% (0.98  10.0   3.56  94.83) =  99.999%  kept
          QE    PHE   72 - HB3   ASN   28  14.01 +/- 2.41   2.659% *  0.0254% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 3.93 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 = 94.7:
      O   HD21  ASN   28 - HB3   ASN   28   3.98 +/- 0.25  86.330% * 98.4715% (0.87  10.0   3.52  94.83) =  99.865%  kept
          HZ2   TRP   87 - HB3   ASN   28  14.93 +/- 7.11   8.053% *  1.4024% (0.98   1.0   0.25   0.02) =   0.133%  kept
          QE    PHE   60 - HB3   ASN   28  16.12 +/- 3.04   1.902% *  0.0780% (0.69   1.0   0.02   0.02) =   0.002%
          HN    ILE   56 - HB3   ASN   28  24.89 +/- 4.39   2.494% *  0.0199% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB3   ASN   28  19.48 +/- 3.89   1.220% *  0.0283% (0.25   1.0   0.02   0.19) =   0.000%
    Distance limit 3.53 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 = 0.607, support = 5.47, residual support = 28.4:
          HN    GLU-  29 - HB3   ASN   28   3.36 +/- 0.19  71.173% * 36.5962% (0.45   5.80  32.92) =  66.392%  kept
          HN    GLN   30 - HB3   ASN   28   5.06 +/- 0.13  21.038% * 62.5924% (0.92   4.82  19.60) =  33.565%  kept
          HN    GLU-  14 - HB3   ASN   28  18.58 +/- 4.44   4.852% *  0.2255% (0.80   0.02   0.02) =   0.028%
          HN    ASP-  86 - HB3   ASN   28  18.69 +/- 7.39   1.292% *  0.2443% (0.87   0.02   0.02) =   0.008%
          HN    LYS+  99 - HB3   ASN   28  17.54 +/- 4.27   0.923% *  0.1594% (0.57   0.02   0.02) =   0.004%
          HE1   HIS  122 - HB3   ASN   28  21.16 +/- 5.65   0.722% *  0.1822% (0.65   0.02   0.02) =   0.003%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.02, residual support = 94.8:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.02  86.038% * 99.8777% (0.92  10.0   6.02  94.83) =  99.996%  kept
          HN    GLU-  25 - HB3   ASN   28   7.12 +/- 0.30  10.733% *  0.0167% (0.15   1.0   0.02   3.84) =   0.002%
          HN    ASN   69 - HB3   ASN   28  19.50 +/- 4.26   1.950% *  0.0866% (0.80   1.0   0.02   0.02) =   0.002%
          HN    ASP-  44 - HB3   ASN   28  15.41 +/- 2.11   1.279% *  0.0189% (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 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.376, support = 4.58, residual support = 19.5:
          HN    GLN   30 - HB2   ASN   28   4.58 +/- 0.13  68.020% * 95.1710% (0.38   4.60  19.60) =  99.687%  kept
          HN    GLU-  14 - HB2   ASN   28  18.06 +/- 4.46  11.436% *  1.0434% (0.95   0.02   0.02) =   0.184%  kept
          HN    LYS+  99 - HB2   ASN   28  18.21 +/- 4.22   1.982% *  1.1006% (1.00   0.02   0.02) =   0.034%
          HE1   HIS  122 - HB2   ASN   28  21.26 +/- 5.62   1.797% *  1.1006% (1.00   0.02   0.02) =   0.030%
          HN    LYS+  99 - HB2   ASN   35  15.70 +/- 5.45   4.425% *  0.3424% (0.31   0.02   0.02) =   0.023%
          HN    ASP-  86 - HB2   ASN   28  18.86 +/- 7.07   2.448% *  0.3404% (0.31   0.02   0.02) =   0.013%
          HN    GLN   30 - HB2   ASN   35  10.51 +/- 0.75   5.973% *  0.1288% (0.12   0.02   0.02) =   0.012%
          HN    GLU-  14 - HB2   ASN   35  17.62 +/- 3.01   1.862% *  0.3246% (0.29   0.02   0.02) =   0.009%
          HE1   HIS  122 - HB2   ASN   35  21.27 +/- 5.89   1.384% *  0.3424% (0.31   0.02   0.02) =   0.007%
          HN    ASP-  86 - HB2   ASN   35  24.24 +/- 5.29   0.674% *  0.1059% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 3 structures by 1.30 A, kept.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 94.7:
      O   HD21  ASN   28 - HB2   ASN   28   3.92 +/- 0.11  87.336% * 98.1012% (0.61  10.0   3.88  94.83) =  99.887%  kept
          HZ2   TRP   87 - HB2   ASN   28  15.30 +/- 6.65   5.651% *  1.6322% (0.80   1.0   0.25   0.02) =   0.108%  kept
          QE    PHE   60 - HB2   ASN   28  15.85 +/- 3.05   2.018% *  0.1493% (0.92   1.0   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HB2   ASN   35  19.01 +/- 6.00   1.719% *  0.0403% (0.25   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   ASN   35  13.94 +/- 1.41   2.137% *  0.0305% (0.19   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB2   ASN   35  18.22 +/- 2.66   1.139% *  0.0464% (0.29   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.485, support = 6.49, residual support = 26.4:
      O   HN    GLN   30 - HA    GLU-  29   3.51 +/- 0.02  66.977% * 98.3458% (0.49  10.0   6.49  26.39) =  99.878%  kept
          HN    GLN   30 - HA    GLN   32   6.74 +/- 0.21   9.533% *  0.6106% (0.11   1.0   0.55   1.78) =   0.088%
          HN    GLU-  14 - HA    GLU-  29  16.15 +/- 4.28   6.546% *  0.2003% (0.99   1.0   0.02   0.02) =   0.020%
          HN    GLN   30 - HA    LYS+  33   7.61 +/- 0.54   6.908% *  0.0270% (0.13   1.0   0.02   0.48) =   0.003%
          HN    LYS+  99 - HA    GLU-  29  18.14 +/- 3.79   0.709% *  0.1950% (0.96   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    GLU-  29  21.23 +/- 5.60   0.662% *  0.2003% (0.99   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    LYS+  33  14.71 +/- 3.00   2.123% *  0.0549% (0.27   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   32  15.82 +/- 4.50   1.476% *  0.0437% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    LYS+  33  16.97 +/- 4.27   0.980% *  0.0535% (0.26   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  20.76 +/- 5.88   0.931% *  0.0549% (0.27   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  21.30 +/- 6.15   0.546% *  0.0831% (0.41   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    GLN   32  17.24 +/- 3.20   0.964% *  0.0449% (0.22   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  20.50 +/- 5.83   0.846% *  0.0449% (0.22   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  21.79 +/- 6.07   0.512% *  0.0186% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  23.85 +/- 4.65   0.288% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.521, support = 5.7, residual support = 77.6:
      O   HN    GLU-  29 - HB2   GLU-  29   2.36 +/- 0.28  69.405% * 57.8610% (0.41  10.0   5.43  92.52) =  77.461%  kept
          HN    GLN   30 - HB2   GLU-  29   3.21 +/- 0.20  28.000% * 41.7218% (0.90   1.0   6.61  26.39) =  22.533%  kept
          HN    GLU-  14 - HB2   GLU-  29  15.11 +/- 4.44   1.987% *  0.1176% (0.84   1.0   0.02   0.02) =   0.005%
          HE1   HIS  122 - HB2   GLU-  29  21.16 +/- 5.62   0.208% *  0.0967% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  19.16 +/- 3.63   0.233% *  0.0854% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  21.37 +/- 5.80   0.168% *  0.1176% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.553, support = 5.02, residual support = 73.2:
      O   HN    GLU-  29 - HB3   GLU-  29   3.47 +/- 0.18  49.785% * 63.2116% (0.41  10.0   4.93  92.52) =  70.818%  kept
          HN    GLN   30 - HB3   GLU-  29   3.90 +/- 0.14  35.866% * 36.1292% (0.90   1.0   5.24  26.39) =  29.160%  kept
          HN    GLU-  14 - HB3   GLU-  29  14.94 +/- 4.55   4.042% *  0.1284% (0.84   1.0   0.02   0.02) =   0.012%
          HN    GLN   30 - QB    GLU-  36   9.78 +/- 1.03   2.428% *  0.0427% (0.28   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - QB    GLU-  36  13.49 +/- 2.88   2.355% *  0.0398% (0.26   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - QB    GLU-  36  15.84 +/- 4.84   1.943% *  0.0289% (0.19   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  29  21.62 +/- 5.67   0.437% *  0.1056% (0.69   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLU-  29  22.38 +/- 5.72   0.293% *  0.1284% (0.84   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   GLU-  29  19.41 +/- 3.54   0.360% *  0.0933% (0.61   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    GLU-  36  11.07 +/- 1.18   1.685% *  0.0196% (0.13   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    GLU-  36  19.75 +/- 5.22   0.603% *  0.0327% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  23.24 +/- 3.71   0.204% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.936, support = 4.4, residual support = 92.1:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.78 +/- 0.21  39.718% * 95.1378% (0.99  10.0 10.00   4.41  92.52) =  94.240%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.44 +/- 0.12  57.284% *  4.0244% (0.04  10.0 10.00   4.28  86.30) =   5.750%  kept
        T HG2   GLU-  29 - QB    GLU-  36  10.62 +/- 1.64   0.837% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   GLU-  36 - HB3   GLU-  29  11.45 +/- 2.04   0.718% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HB3   GLU-  29  20.90 +/- 6.21   0.170% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  21.31 +/- 4.71   0.241% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  25.00 +/- 4.79   0.103% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  21.48 +/- 2.11   0.091% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  20.03 +/- 3.01   0.134% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  21.73 +/- 4.07   0.107% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  21.05 +/- 3.13   0.131% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  24.33 +/- 3.60   0.084% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.80 +/- 1.27   0.083% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  18.79 +/- 2.82   0.156% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  24.37 +/- 1.70   0.060% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.75 +/- 2.67   0.084% *  0.0059% (0.06   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 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 0.482, residual support = 0.48:
          QD    LYS+  33 - HA    GLN   30   3.41 +/- 0.88  89.534% * 88.1526% (0.95   0.48   0.48) =  99.623%  kept
          HB3   LEU  123 - HA    GLN   30  24.50 +/- 7.38   5.441% *  3.6441% (0.95   0.02   0.02) =   0.250%  kept
          QB    ALA   57 - HA    GLN   30  18.16 +/- 3.20   2.119% *  2.6462% (0.69   0.02   0.02) =   0.071%
          HD2   LYS+  74 - HA    GLN   30  13.63 +/- 2.19   2.061% *  1.4458% (0.38   0.02   0.02) =   0.038%
          HG3   ARG+  54 - HA    GLN   30  25.84 +/- 3.74   0.593% *  1.3140% (0.34   0.02   0.02) =   0.010%
          HD3   LYS+ 111 - HA    GLN   30  30.61 +/- 3.78   0.252% *  2.7973% (0.73   0.02   0.02) =   0.009%
    Distance limit 3.82 A violated in 0 structures by 0.17 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.546, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HA    GLN   30  19.73 +/- 6.06  16.242% * 48.0646% (0.90   0.02   0.02) =  47.871%  kept
          QD1   LEU   71 - HA    GLN   30   9.06 +/- 3.38  52.591% *  8.2693% (0.15   0.02   0.02) =  26.667%  kept
          HB3   LEU  104 - HA    GLN   30  19.39 +/- 3.78   9.084% * 22.0331% (0.41   0.02   0.02) =  12.273%  kept
          QD1   LEU  123 - HA    GLN   30  18.72 +/- 5.64  15.711% *  8.2693% (0.15   0.02   0.02) =   7.967%  kept
          HG3   LYS+ 121 - HA    GLN   30  22.36 +/- 5.88   6.371% * 13.3638% (0.25   0.02   0.02) =   5.221%  kept
    Distance limit 4.03 A violated in 17 structures by 4.00 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.972, support = 6.37, residual support = 155.8:
      O   HN    GLN   30 - HA    GLN   30   2.81 +/- 0.02  83.606% * 88.5389% (0.98  10.0   6.41 158.42) =  97.997%  kept
          HN    GLU-  29 - HA    GLN   30   5.17 +/- 0.07  13.466% * 11.2256% (0.57   1.0   4.39  26.39) =   2.001%  kept
          HN    GLU-  14 - HA    GLN   30  13.14 +/- 2.68   1.256% *  0.0620% (0.69   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   30  18.45 +/- 5.26   0.832% *  0.0475% (0.53   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   30  20.88 +/- 4.74   0.293% *  0.0854% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  16.56 +/- 3.11   0.546% *  0.0405% (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 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.973, support = 6.39, residual support = 156.1:
      O   HN    GLN   30 - HB2   GLN   30   2.99 +/- 0.60  80.979% * 89.7899% (0.98  10.0   6.43 158.42) =  98.281%  kept
          HN    GLU-  29 - HB2   GLN   30   5.58 +/- 0.69  12.717% *  9.9713% (0.57   1.0   3.85  26.39) =   1.714%  kept
          HE1   HIS  122 - HB2   GLN   30  16.96 +/- 5.34   3.222% *  0.0482% (0.53   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB2   GLN   30  13.70 +/- 2.34   1.628% *  0.0629% (0.69   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   GLN   30  18.82 +/- 4.75   0.520% *  0.0867% (0.95   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLN   30  15.40 +/- 2.76   0.933% *  0.0411% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.63 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 = 157.3:
      O   HN    GLN   30 - HB3   GLN   30   2.44 +/- 0.48  86.609% * 93.3063% (0.65  10.0   6.95 158.42) =  99.190%  kept
          HN    GLU-  29 - HB3   GLN   30   4.95 +/- 0.58  10.571% *  6.2108% (0.20   1.0   4.35  26.39) =   0.806%  kept
          HN    LYS+  99 - HB3   GLN   30  15.47 +/- 3.12   0.858% *  0.1251% (0.87   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB3   GLN   30  13.73 +/- 2.40   0.741% *  0.1430% (0.99   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLN   30  17.14 +/- 5.12   0.770% *  0.1331% (0.92   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLN   30  18.75 +/- 4.72   0.450% *  0.0817% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.627, support = 7.25, residual support = 152.5:
          HN    GLN   30 - HG2   GLN   30   3.57 +/- 0.30  76.278% * 82.3848% (0.65   7.36 158.42) =  95.519%  kept
          HN    GLU-  29 - HG2   GLN   30   5.80 +/- 0.42  17.798% * 16.4574% (0.20   4.81  26.39) =   4.452%  kept
          HN    GLU-  14 - HG2   GLN   30  12.47 +/- 2.72   2.574% *  0.3428% (0.99   0.02   0.02) =   0.013%
          HE1   HIS  122 - HG2   GLN   30  17.87 +/- 5.18   1.897% *  0.3193% (0.92   0.02   0.02) =   0.009%
          HN    LYS+  99 - HG2   GLN   30  17.02 +/- 3.02   0.878% *  0.3000% (0.87   0.02   0.02) =   0.004%
          HN    ASP-  86 - HG2   GLN   30  20.42 +/- 4.51   0.575% *  0.1958% (0.57   0.02   0.02) =   0.002%
    Distance limit 3.43 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.0, residual support = 157.7:
      O   HE21  GLN   30 - HG2   GLN   30   3.97 +/- 0.23  87.804% * 95.8882% (0.87  10.0   4.01 158.42) =  99.560%  kept
          HD1   TRP   27 - HG2   GLN   30   8.49 +/- 0.66   9.405% *  3.9256% (1.00   1.0   0.71   0.02) =   0.437%  kept
          QD    PHE   59 - HG2   GLN   30  17.04 +/- 3.41   2.019% *  0.1103% (1.00   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HG2   GLN   30  24.13 +/- 4.36   0.773% *  0.0759% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 3.16, residual support = 158.2:
      O   HE21  GLN   30 - HG3   GLN   30   3.78 +/- 0.35  62.716% * 98.5318% (0.87  10.0   3.16 158.42) =  99.871%  kept
          HD1   TRP   27 - HG3   GLN   30   8.40 +/- 0.58   6.392% *  1.1643% (1.00   1.0   0.21   0.02) =   0.120%  kept
          QD    PHE   59 - HG3   GLN   30  16.53 +/- 3.07   1.490% *  0.1133% (1.00   1.0   0.02   0.02) =   0.003%
          QD    PHE   59 - HB2   PRO   93   7.43 +/- 2.64  16.589% *  0.0088% (0.08   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   LYS+ 111  10.47 +/- 1.37   3.776% *  0.0228% (0.20   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   LYS+ 111  15.46 +/- 4.49   2.512% *  0.0157% (0.14   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HG3   GLN   30  23.52 +/- 4.23   0.466% *  0.0780% (0.69   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   PRO   93  11.02 +/- 2.42   4.227% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  25.68 +/- 3.68   0.272% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  18.82 +/- 2.85   0.671% *  0.0088% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  26.39 +/- 3.50   0.272% *  0.0198% (0.17   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  19.49 +/- 2.58   0.618% *  0.0077% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.627, support = 6.35, residual support = 152.5:
          HN    GLN   30 - HG3   GLN   30   3.97 +/- 0.59  66.764% * 82.8016% (0.65   6.47 158.42) =  95.528%  kept
          HN    GLU-  29 - HG3   GLN   30   6.31 +/- 0.79  16.597% * 15.4106% (0.20   3.94  26.39) =   4.420%  kept
          HN    GLU-  14 - HG3   GLN   30  12.39 +/- 2.38   3.176% *  0.3923% (0.99   0.02   0.02) =   0.022%
          HE1   HIS  122 - HG3   GLN   30  17.47 +/- 4.84   2.278% *  0.3653% (0.92   0.02   0.02) =   0.014%
          HN    LYS+  99 - HG3   GLN   30  16.59 +/- 2.90   1.255% *  0.3433% (0.87   0.02   0.02) =   0.007%
          HN    ASP-  86 - HG3   GLN   30  19.86 +/- 4.32   0.847% *  0.2241% (0.57   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB2   LYS+ 111  17.88 +/- 2.22   0.958% *  0.0734% (0.19   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   PRO   93  15.13 +/- 3.18   1.970% *  0.0285% (0.07   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   LYS+ 111  22.73 +/- 3.11   0.551% *  0.0690% (0.17   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   PRO   93  14.81 +/- 1.41   1.875% *  0.0175% (0.04   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   LYS+ 111  21.04 +/- 3.25   0.708% *  0.0450% (0.11   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   PRO   93  18.98 +/- 1.84   1.015% *  0.0268% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  28.12 +/- 3.75   0.261% *  0.0515% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  33.21 +/- 3.84   0.153% *  0.0788% (0.20   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.29 +/- 2.26   0.603% *  0.0200% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  26.78 +/- 3.14   0.298% *  0.0306% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  29.44 +/- 3.87   0.217% *  0.0157% (0.04   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  22.67 +/- 2.30   0.476% *  0.0061% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.174, support = 5.31, residual support = 44.1:
          HG    LEU   31 - HB3   GLN   30   4.01 +/- 0.30  49.617% * 70.2160% (0.15  1.00   6.14  51.14) =  84.790%  kept
          QD2   LEU   73 - HB3   GLN   30   4.90 +/- 2.02  40.176% * 13.8518% (0.25  1.00   0.75   5.34) =  13.544%  kept
          QD2   LEU  123 - HB3   GLN   30  18.79 +/- 5.67   8.239% *  7.2695% (0.61  1.00   0.16   0.02) =   1.458%  kept
        T QD1   ILE   56 - HB3   GLN   30  16.86 +/- 2.37   0.992% *  7.2106% (0.49 10.00   0.02   0.02) =   0.174%  kept
          HG3   LYS+ 121 - HB3   GLN   30  21.20 +/- 5.40   0.975% *  1.4520% (0.98  1.00   0.02   0.02) =   0.034%
    Distance limit 3.69 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 = 0.872, support = 2.45, residual support = 4.88:
          QD1   LEU   73 - HB3   GLN   30   4.35 +/- 2.41  48.483% * 74.6175% (0.87   2.65   5.34) =  91.203%  kept
          QD2   LEU   80 - HB3   GLN   30  12.21 +/- 6.38  13.136% * 13.1987% (0.99   0.41   0.02) =   4.371%  kept
          QD1   LEU   63 - HB3   GLN   30  12.09 +/- 3.59  16.104% * 10.5254% (0.87   0.37   0.02) =   4.273%  kept
          QD2   LEU   63 - HB3   GLN   30  11.57 +/- 2.97  13.192% *  0.1805% (0.28   0.02   0.02) =   0.060%
          QD1   LEU  104 - HB3   GLN   30  13.74 +/- 3.55   2.532% *  0.5632% (0.87   0.02   0.02) =   0.036%
          QG1   VAL   83 - HB3   GLN   30  12.12 +/- 4.90   5.165% *  0.2669% (0.41   0.02   0.02) =   0.035%
          QD2   LEU  115 - HB3   GLN   30  17.41 +/- 2.97   1.388% *  0.6478% (1.00   0.02   0.02) =   0.023%
    Distance limit 3.77 A violated in 3 structures by 0.47 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.773, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  18.60 +/- 5.92  32.881% * 54.6388% (0.97   0.02   0.02) =  58.816%  kept
          HG3   LYS+ 121 - HB2   GLN   30  20.97 +/- 5.86  24.083% * 36.6255% (0.65   0.02   0.02) =  28.877%  kept
          QD1   ILE   56 - HB2   GLN   30  16.84 +/- 2.39  43.035% *  8.7356% (0.15   0.02   0.02) =  12.307%  kept
    Distance limit 3.53 A violated in 18 structures by 10.71 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.87, support = 2.6, residual support = 4.96:
          QD1   LEU   73 - HB2   GLN   30   4.77 +/- 2.34  45.733% * 78.9134% (0.87   2.78   5.34) =  92.854%  kept
          QD2   LEU   80 - HB2   GLN   30  12.41 +/- 6.58  13.467% * 10.8286% (0.99   0.33   0.02) =   3.752%  kept
          QD1   LEU   63 - HB2   GLN   30  12.09 +/- 3.41  14.451% *  8.5832% (0.87   0.30   0.02) =   3.191%  kept
          QD2   LEU   63 - HB2   GLN   30  11.50 +/- 2.93  13.077% *  0.1823% (0.28   0.02   0.02) =   0.061%
          QD1   LEU  104 - HB2   GLN   30  13.60 +/- 3.44   3.657% *  0.5687% (0.87   0.02   0.02) =   0.054%
          QG1   VAL   83 - HB2   GLN   30  12.24 +/- 5.04   7.437% *  0.2695% (0.41   0.02   0.02) =   0.052%
          QD2   LEU  115 - HB2   GLN   30  17.26 +/- 3.08   2.179% *  0.6542% (1.00   0.02   0.02) =   0.037%
    Distance limit 3.77 A violated in 5 structures by 0.74 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.91, residual support = 158.4:
      O T HA    GLN   30 - HG3   GLN   30   3.08 +/- 0.48  61.469% * 98.6729% (0.65  10.0 10.00   4.91 158.42) =  99.972%  kept
          HB    THR   39 - HG3   GLN   30  10.30 +/- 3.50   5.191% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.010%
          QB    SER   13 - HG3   GLN   30  11.94 +/- 2.82   2.418% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB3   SER   37 - HG3   GLN   30  10.96 +/- 2.47   2.450% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   PRO   52 - HB2   PRO   93  10.42 +/- 2.55   2.501% *  0.0863% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          HB3   SER   82 - HG3   GLN   30  19.41 +/- 5.88   0.540% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HB2   PRO   93   9.12 +/- 1.62   4.843% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HB2   LYS+ 111  14.72 +/- 3.38   1.702% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB2   PRO   93   8.78 +/- 3.44   8.669% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  21.18 +/- 2.44   0.252% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  14.32 +/- 2.95   1.043% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.55 +/- 3.99   0.104% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  24.48 +/- 3.86   0.181% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111  10.23 +/- 1.72   2.577% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  21.80 +/- 2.42   0.220% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  21.14 +/- 3.82   0.335% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  21.17 +/- 2.73   0.333% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  10.80 +/- 2.79   2.949% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.32 +/- 1.73   0.812% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  24.68 +/- 3.20   0.163% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  17.66 +/- 1.64   0.407% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  28.08 +/- 3.88   0.138% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.77 +/- 2.81   0.225% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  31.02 +/- 3.78   0.081% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  31.02 +/- 4.18   0.093% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.03 +/- 3.13   0.165% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.86 +/- 2.55   0.140% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.99, residual support = 23.4:
          HZ2   TRP   27 - QD1   LEU   31   2.60 +/- 0.41  88.619% * 99.8218% (0.87   1.99  23.42) =  99.977%  kept
          HZ    PHE   72 - QD1   LEU   31  10.18 +/- 3.12  11.381% *  0.1782% (0.15   0.02   0.02) =   0.023%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 0.841, residual support = 13.3:
          HD21  ASN   28 - QD1   LEU   31   4.63 +/- 1.07  46.765% * 57.2614% (0.92   0.89  19.75) =  63.975%  kept
          HZ2   TRP   87 - QD1   LEU   31   9.40 +/- 6.18  37.740% * 39.7366% (0.76   0.75   1.72) =  35.827%  kept
          HN    LEU   63 - QD1   LEU   31  13.03 +/- 2.70   2.609% *  1.0596% (0.76   0.02   0.02) =   0.066%
          HN    ILE   56 - QD1   LEU   31  17.86 +/- 3.31   2.527% *  0.8970% (0.65   0.02   0.02) =   0.054%
          QE    PHE   60 - QD1   LEU   31  10.67 +/- 2.77   6.647% *  0.2744% (0.20   0.02   0.02) =   0.044%
          HN    ALA   84 - QD1   LEU   31  13.65 +/- 4.91   3.123% *  0.3855% (0.28   0.02   0.02) =   0.029%
          HN    LYS+ 111 - QD1   LEU   31  20.15 +/- 3.22   0.589% *  0.3855% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.90 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.732, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  14.73 +/- 4.98  35.838% * 52.6698% (0.97   0.02   0.02) =  57.539%  kept
          HN    ASP- 105 - QD1   LEU   31  12.64 +/- 3.40  44.510% * 18.6164% (0.34   0.02   0.02) =  25.259%  kept
          HN    PHE   55 - QD1   LEU   31  19.18 +/- 3.60  19.653% * 28.7138% (0.53   0.02   0.02) =  17.202%  kept
    Distance limit 4.29 A violated in 20 structures by 6.45 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.68, residual support = 231.2:
          HN    LEU   31 - HG    LEU   31   2.41 +/- 0.50  96.682% * 99.1390% (0.67   7.68 231.20) =  99.992%  kept
          HN    LYS+  38 - HG    LEU   31  10.37 +/- 0.89   1.968% *  0.2001% (0.52   0.02   0.02) =   0.004%
          HN    ASP-  62 - HG    LEU   31  16.38 +/- 2.81   0.811% *  0.2774% (0.72   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG    LEU   31  22.88 +/- 4.09   0.325% *  0.3065% (0.79   0.02   0.02) =   0.001%
          HN    PHE   55 - HG    LEU   31  23.22 +/- 3.81   0.213% *  0.0771% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.12, residual support = 231.1:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.04  91.034% * 99.3670% (0.34  10.0   7.12 231.20) =  99.974%  kept
          HN    LYS+  38 - HB3   LEU   31   8.92 +/- 0.95   6.740% *  0.2907% (1.00   1.0   0.02   0.02) =   0.022%
          HN    ARG+  54 - HB3   LEU   31  24.17 +/- 4.03   1.175% *  0.2226% (0.76   1.0   0.02   0.02) =   0.003%
          HN    ASP-  62 - HB3   LEU   31  17.64 +/- 3.13   1.052% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.774, support = 5.31, residual support = 39.5:
          HN    GLN   32 - HB3   LEU   31   3.92 +/- 0.21  62.844% * 75.7514% (0.76   5.93  44.45) =  85.531%  kept
          HN    ALA   34 - HB3   LEU   31   4.92 +/- 0.39  33.930% * 23.7173% (0.84   1.70  10.52) =  14.458%  kept
          HN    LEU   80 - HB3   LEU   31  17.78 +/- 4.74   1.209% *  0.2429% (0.73   0.02   0.02) =   0.005%
          HN    CYS   53 - HB3   LEU   31  23.68 +/- 3.99   1.147% *  0.1628% (0.49   0.02   0.02) =   0.003%
          HN    SER   85 - HB3   LEU   31  19.67 +/- 5.44   0.869% *  0.1256% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.70 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.725, support = 2.55, residual support = 19.7:
        T HA    ASN   28 - HB2   LEU   31   3.63 +/- 0.35  65.327% * 96.9991% (0.73 10.00   2.56  19.75) =  99.710%  kept
        T HA    ALA   34 - HB2   LEU   31   7.37 +/- 0.27   8.284% *  1.1980% (0.90 10.00   0.02  10.52) =   0.156%  kept
          HA    THR   26 - HB2   LEU   31   8.72 +/- 0.31   4.807% *  1.1795% (0.76  1.00   0.23   0.02) =   0.089%
          HA1   GLY  101 - HB2   LEU   31  13.74 +/- 5.84  12.765% *  0.1324% (0.99  1.00   0.02   0.02) =   0.027%
        T HA    ALA  124 - HB2   LEU   31  25.65 +/- 8.43   4.688% *  0.2061% (0.15 10.00   0.02   0.02) =   0.015%
          HA    ARG+  54 - HB2   LEU   31  24.32 +/- 4.43   1.839% *  0.0297% (0.22  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   LEU   31  22.59 +/- 3.42   0.419% *  0.1021% (0.76  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB2   LEU   31  23.22 +/- 3.86   1.628% *  0.0206% (0.15  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   LEU   31  26.28 +/- 3.60   0.244% *  0.1324% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.12, residual support = 231.2:
      O   HN    LEU   31 - HB2   LEU   31   2.64 +/- 0.20  96.536% * 99.3670% (0.34  10.0   7.12 231.20) =  99.991%  kept
          HN    LYS+  38 - HB2   LEU   31   9.66 +/- 0.80   2.328% *  0.2907% (1.00   1.0   0.02   0.02) =   0.007%
          HN    ARG+  54 - HB2   LEU   31  24.73 +/- 4.12   0.698% *  0.2226% (0.76   1.0   0.02   0.02) =   0.002%
          HN    ASP-  62 - HB2   LEU   31  18.39 +/- 3.06   0.438% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.769, support = 5.68, residual support = 42.3:
          HN    GLN   32 - HB2   LEU   31   2.77 +/- 0.27  83.740% * 71.5671% (0.76   5.93  44.45) =  93.525%  kept
          HN    ALA   34 - HB2   LEU   31   5.15 +/- 0.23  14.847% * 27.9311% (0.84   2.12  10.52) =   6.471%  kept
          HN    LEU   80 - HB2   LEU   31  17.82 +/- 5.20   0.582% *  0.2295% (0.73   0.02   0.02) =   0.002%
          HN    CYS   53 - HB2   LEU   31  24.25 +/- 4.15   0.418% *  0.1538% (0.49   0.02   0.02) =   0.001%
          HN    SER   85 - HB2   LEU   31  19.90 +/- 5.95   0.413% *  0.1186% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.12, residual support = 231.2:
      O   HN    LEU   31 - HA    LEU   31   2.81 +/- 0.05  94.244% * 99.3670% (0.34  10.0   7.12 231.20) =  99.984%  kept
          HN    LYS+  38 - HA    LEU   31   7.79 +/- 0.64   4.771% *  0.2907% (1.00   1.0   0.02   0.02) =   0.015%
          HN    ARG+  54 - HA    LEU   31  23.89 +/- 3.46   0.366% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  16.84 +/- 3.00   0.619% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.47 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 = 38.2:
      O   HN    GLN   32 - HA    LEU   31   3.59 +/- 0.05  39.717% * 86.6081% (0.76  10.0   5.93  44.45) =  81.536%  kept
          HN    ALA   34 - HA    LEU   31   3.13 +/- 0.26  58.954% * 13.2119% (0.84   1.0   2.79  10.52) =  18.462%  kept
          HN    LEU   80 - HA    LEU   31  17.86 +/- 4.55   0.608% *  0.0823% (0.73   1.0   0.02   0.02) =   0.001%
          HN    CYS   53 - HA    LEU   31  23.49 +/- 3.40   0.404% *  0.0552% (0.49   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HA    LEU   31  20.35 +/- 4.61   0.318% *  0.0425% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.55, support = 0.966, residual support = 1.33:
          QD1   LEU   73 - HA    LEU   31   6.64 +/- 2.32  40.822% * 47.9430% (0.49   1.18   1.82) =  72.861%  kept
          QD2   LEU   80 - HA    LEU   31  13.93 +/- 6.06  13.178% * 31.0449% (0.87   0.43   0.02) =  15.231%  kept
          QD1   LEU   63 - HA    LEU   31  12.77 +/- 3.47  17.222% * 16.2893% (0.49   0.40   0.02) =  10.444%  kept
          QD1   LEU  104 - HA    LEU   31  12.25 +/- 3.71  10.811% *  1.6570% (0.99   0.02   0.02) =   0.667%  kept
          QG1   VAL   83 - HA    LEU   31  12.81 +/- 4.92  12.560% *  1.3386% (0.80   0.02   0.02) =   0.626%  kept
          QD2   LEU  115 - HA    LEU   31  17.83 +/- 2.62   2.643% *  1.3964% (0.84   0.02   0.02) =   0.137%  kept
          QG2   ILE   89 - HA    LEU   31  15.88 +/- 2.32   2.764% *  0.3308% (0.20   0.02   0.02) =   0.034%
    Distance limit 3.84 A violated in 14 structures by 1.85 A, kept.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 3.5, residual support = 16.3:
          HD1   TRP   87 - QG2   VAL   83   2.76 +/- 0.53  83.332% * 74.5912% (0.53   3.57  16.35) =  97.250%  kept
          HE3   TRP   87 - QG2   VAL   83   6.50 +/- 0.56   8.259% * 18.8348% (0.45   1.06  16.35) =   2.434%  kept
          HN    TRP   27 - QG2   VAL   83  11.87 +/- 4.76   3.729% *  4.6973% (1.00   0.12   0.32) =   0.274%  kept
          HN    ALA   91 - QG2   VAL   83   9.23 +/- 1.09   2.646% *  0.6632% (0.84   0.02   0.02) =   0.027%
          HN    ALA   61 - QG2   VAL   83  13.82 +/- 2.10   1.000% *  0.6068% (0.76   0.02   0.02) =   0.009%
          HN    THR   39 - QG2   VAL   83  16.57 +/- 2.46   0.584% *  0.4496% (0.57   0.02   0.02) =   0.004%
          HN    GLU-  36 - QG2   VAL   83  18.15 +/- 3.46   0.451% *  0.1571% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  11.64 +/- 1.54 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.18 A violated in 20 structures by 8.46 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.593, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QG2   VAL   42   9.39 +/- 2.22  31.605% * 30.1124% (0.67   0.02   0.02) =  38.805%  kept
          QD    PHE   59 - QG2   VAL   42   8.50 +/- 2.34  37.692% * 17.5479% (0.39   0.02   0.02) =  26.969%  kept
          HH2   TRP   49 - QG2   VAL   42  15.08 +/- 4.60  17.434% * 34.7918% (0.77   0.02   0.02) =  24.732%  kept
          HD1   TRP   27 - QG2   VAL   42  11.76 +/- 1.51  13.269% * 17.5479% (0.39   0.02   0.02) =   9.494%  kept
    Distance limit 3.37 A violated in 17 structures by 3.41 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.767, support = 0.3, residual support = 1.69:
          QD2   LEU   40 - QG2   VAL   42   3.23 +/- 0.93  39.106% * 65.0516% (0.79  1.00   0.33   1.88) =  89.179%  kept
        T HB    VAL   75 - QG2   VAL   42   7.16 +/- 1.44   7.912% * 19.1414% (0.39 10.00   0.02   0.02) =   5.309%  kept
          QD1   LEU   67 - QG2   VAL   42   4.95 +/- 1.81  24.038% *  3.9238% (0.80  1.00   0.02   0.02) =   3.306%  kept
          QG2   ILE  103 - QG2   VAL   42   7.66 +/- 2.44   5.424% *  3.8977% (0.79  1.00   0.02   0.02) =   0.741%  kept
          QD2   LEU   71 - QG2   VAL   42   6.57 +/- 1.69  10.245% *  1.9141% (0.39  1.00   0.02   1.07) =   0.687%  kept
          HG3   LYS+  74 - QG2   VAL   42  10.33 +/- 1.74   3.043% *  3.7200% (0.76  1.00   0.02   0.02) =   0.397%  kept
          QG2   ILE  119 - QG2   VAL   42   9.72 +/- 3.05   7.103% *  0.8755% (0.18  1.00   0.02   0.02) =   0.218%  kept
          QD1   ILE  103 - QG2   VAL   42   8.67 +/- 2.28   3.128% *  1.4759% (0.30  1.00   0.02   0.02) =   0.162%  kept
    Distance limit 3.09 A violated in 0 structures by 0.23 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 = 23.1:
        T HZ2   TRP   27 - QD2   LEU   31   3.27 +/- 0.49  63.231% * 97.0301% (0.99 10.00   4.23  23.42) =  98.251%  kept
        T HZ2   TRP   27 - QG2   VAL   43   6.48 +/- 3.52  36.769% *  2.9699% (0.07 10.00   0.90   3.77) =   1.749%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 3.19, residual support = 51.1:
          HE22  GLN   30 - QD2   LEU   31   4.42 +/- 0.14  67.903% * 99.1209% (0.90   3.20  51.14) =  99.931%  kept
          HN    TRP   49 - QD2   LEU   31  18.16 +/- 3.46   5.802% *  0.3366% (0.49   0.02   0.02) =   0.029%
          HD22  ASN   69 - QD2   LEU   31  13.40 +/- 2.31   4.112% *  0.4474% (0.65   0.02   0.02) =   0.027%
          HE22  GLN   30 - QG2   VAL   43   8.85 +/- 2.93  15.910% *  0.0420% (0.06   0.02   0.02) =   0.010%
          HD22  ASN   69 - QG2   VAL   43  12.93 +/- 1.93   3.568% *  0.0303% (0.04   0.02   0.02) =   0.002%
          HN    TRP   49 - QG2   VAL   43  13.44 +/- 1.24   2.705% *  0.0228% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.57 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 61.0:
      O T HA    VAL   43 - QG2   VAL   43   2.20 +/- 0.29  91.854% * 99.3737% (0.50  10.0 10.00   3.00  61.02) =  99.984%  kept
        T HA    VAL   43 - QD2   LEU   31   8.08 +/- 2.24   3.965% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.012%
          HA    HIS   22 - QG2   VAL   43  11.36 +/- 3.26   1.460% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG2   VAL   43  12.74 +/- 1.54   0.645% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QD2   LEU   31   9.71 +/- 0.98   1.445% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - QD2   LEU   31  13.07 +/- 2.27   0.631% *  0.0371% (0.19   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 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.186, support = 3.09, residual support = 21.0:
        T HZ3   TRP   27 - QD2   LEU   31   3.04 +/- 0.76  67.556% * 77.5919% (0.14 10.00   3.29  23.42) =  87.820%  kept
          HZ3   TRP   27 - QG2   VAL   43   5.85 +/- 2.89  32.444% * 22.4081% (0.50  1.00   1.66   3.77) =  12.180%  kept
    Distance limit 3.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.885, support = 4.29, residual support = 42.2:
          HN    GLN   32 - QG    GLN   32   3.70 +/- 0.39  73.868% * 84.4986% (0.92   4.35  44.64) =  94.492%  kept
          HN    ALA   34 - QG    GLN   32   5.53 +/- 0.30  24.305% * 14.9570% (0.22   3.20   0.70) =   5.503%  kept
          HN    SER   85 - QG    GLN   32  22.02 +/- 5.34   0.598% *  0.4058% (0.97   0.02   0.02) =   0.004%
          HN    LEU   80 - QG    GLN   32  20.32 +/- 4.78   0.796% *  0.0649% (0.15   0.02   0.02) =   0.001%
          HN    THR   94 - QG    GLN   32  21.58 +/- 2.07   0.434% *  0.0736% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2481 (8.05, 2.11, 27.95 ppm):
    5 chemical-shift based assignments, quality = 0.92, support = 4.39, residual support = 44.5:
      O   HN    GLN   32 - QB    GLN   32   2.13 +/- 0.07  90.430% * 95.9605% (0.92  10.0   4.40  44.64) =  99.593%  kept
          HN    ALA   34 - QB    GLN   32   4.63 +/- 0.22   9.067% *  3.9049% (0.22   1.0   3.37   0.70) =   0.406%  kept
          HN    SER   85 - QB    GLN   32  20.74 +/- 5.25   0.153% *  0.1003% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  18.69 +/- 4.93   0.234% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.20 +/- 1.78   0.116% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.261, support = 6.31, residual support = 55.6:
      O   HN    GLN   30 - HA    GLU-  29   3.51 +/- 0.02  26.635% * 69.1009% (0.36  10.0   6.49  26.39) =  55.255%  kept
      O   HN    GLU-  29 - HA    GLU-  29   2.75 +/- 0.03  55.497% * 26.6352% (0.14  10.0   6.13  92.52) =  44.377%  kept
          HN    GLN   30 - HA    GLN   32   6.74 +/- 0.21   3.784% *  2.9430% (0.55   1.0   0.55   1.78) =   0.334%  kept
          HN    GLN   30 - HA    LYS+  33   7.61 +/- 0.54   2.731% *  0.1093% (0.57   1.0   0.02   0.48) =   0.009%
          HN    GLU-  14 - HA    GLU-  29  16.15 +/- 4.28   2.806% *  0.0797% (0.41   1.0   0.02   0.02) =   0.007%
          HN    GLU-  29 - HA    GLN   32   7.46 +/- 0.39   2.832% *  0.0409% (0.21   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    LYS+  33  14.71 +/- 3.00   0.860% *  0.1260% (0.65   1.0   0.02   0.02) =   0.003%
          HN    GLU-  29 - HA    LYS+  33   9.01 +/- 0.81   1.686% *  0.0421% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   32  15.82 +/- 4.50   0.586% *  0.0963% (0.50   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    GLN   32  17.24 +/- 3.20   0.398% *  0.1224% (0.63   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  20.76 +/- 5.88   0.377% *  0.1093% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    LYS+  33  16.97 +/- 4.27   0.391% *  0.0991% (0.51   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  20.50 +/- 5.83   0.341% *  0.1062% (0.55   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  21.79 +/- 6.07   0.199% *  0.0963% (0.50   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLU-  29  21.23 +/- 5.60   0.266% *  0.0691% (0.36   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLU-  29  18.14 +/- 3.79   0.282% *  0.0627% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  21.30 +/- 6.15   0.214% *  0.0627% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  23.85 +/- 4.65   0.114% *  0.0991% (0.51   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.388, support = 4.32, residual support = 43.4:
      O   HN    GLN   32 - HA    GLN   32   2.73 +/- 0.05  59.615% * 79.4756% (0.39  10.0   4.34  44.64) =  96.206%  kept
          HN    GLN   32 - HA    LYS+  33   5.29 +/- 0.13   8.291% * 18.9706% (0.40   1.0   4.64  14.92) =   3.194%  kept
          HN    GLN   32 - HA    GLU-  29   3.44 +/- 0.21  30.547% *  0.9654% (0.25   1.0   0.37   0.02) =   0.599%  kept
          HN    SER   85 - HA    GLN   32  23.18 +/- 5.69   0.153% *  0.1296% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  22.40 +/- 5.84   0.175% *  0.0843% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  25.08 +/- 4.42   0.101% *  0.1334% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.20 +/- 2.35   0.128% *  0.0683% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.75 +/- 3.92   0.320% *  0.0223% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.27 +/- 1.59   0.101% *  0.0703% (0.34   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  21.99 +/- 1.90   0.124% *  0.0445% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.74 +/- 3.91   0.220% *  0.0217% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  19.92 +/- 3.52   0.224% *  0.0141% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2486 (7.94, 4.01, 59.34 ppm):
    12 chemical-shift based assignments, quality = 0.627, support = 5.91, residual support = 137.8:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.04  52.947% * 79.2431% (0.69  10.0   6.12 154.00) =  88.319%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.57 +/- 0.04  27.143% * 20.3791% (0.18  10.0   4.29  14.92) =  11.644%  kept
          HN    LYS+  33 - HA    GLU-  29   4.63 +/- 0.97  17.613% *  0.0952% (0.19   1.0   0.09   0.02) =   0.035%
          HN    CYS   21 - HA    LYS+  33  15.18 +/- 1.94   0.411% *  0.1035% (0.90   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  12.32 +/- 1.53   0.757% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  15.22 +/- 1.61   0.389% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  25.73 +/- 5.13   0.143% *  0.0517% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  24.70 +/- 2.86   0.091% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.17 +/- 4.74   0.125% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  25.63 +/- 4.42   0.111% *  0.0144% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  22.90 +/- 4.07   0.133% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  22.89 +/- 4.30   0.136% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.693, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  14.87 +/- 2.57  16.051% * 37.1179% (0.92   0.02   0.02) =  37.056%  kept
          HN    LYS+  81 - QB    LYS+  33  20.91 +/- 4.78   9.869% * 39.4132% (0.98   0.02   0.02) =  24.194%  kept
          HN    LYS+  66 - QB    LYS+  33  16.23 +/- 3.08  17.471% * 18.0271% (0.45   0.02   0.02) =  19.589%  kept
          HE3   TRP   27 - QB    LYS+  33   8.83 +/- 1.03  56.610% *  5.4417% (0.14   0.02   0.02) =  19.161%  kept
    Distance limit 3.71 A violated in 20 structures by 4.79 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.1, residual support = 154.0:
      O   HN    LYS+  33 - QB    LYS+  33   2.46 +/- 0.23  98.432% * 99.9232% (0.97  10.0   6.10 154.00) =  99.999%  kept
          HN    CYS   21 - QB    LYS+  33  12.05 +/- 1.94   1.103% *  0.0586% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    LYS+  33  22.12 +/- 4.87   0.465% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.883, support = 5.65, residual support = 37.9:
          HN    ALA   34 - QB    LYS+  33   3.31 +/- 0.41  72.550% * 67.6866% (0.92   5.93  41.78) =  85.535%  kept
          HN    GLN   32 - QB    LYS+  33   4.88 +/- 0.33  26.035% * 31.8879% (0.65   3.99  14.92) =  14.461%  kept
          HN    LEU   80 - QB    LYS+  33  18.90 +/- 4.27   0.761% *  0.2066% (0.84   0.02   0.02) =   0.003%
          HN    CYS   53 - QB    LYS+  33  24.10 +/- 3.11   0.327% *  0.1500% (0.61   0.02   0.02) =   0.001%
          HN    SER   85 - QB    LYS+  33  21.65 +/- 3.72   0.327% *  0.0688% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.577, support = 0.02, residual support = 0.02:
          HN    ILE  103 - QB    LYS+  33  17.44 +/- 3.65  23.735% * 24.3087% (0.57   0.02   0.02) =  31.353%  kept
          HN    SER   82 - QB    LYS+  33  20.91 +/- 4.95  15.963% * 34.3809% (0.80   0.02   0.02) =  29.823%  kept
          HN    GLY   16 - QB    LYS+  33  11.29 +/- 3.36  51.993% *  8.4971% (0.20   0.02   0.02) =  24.007%  kept
          HN    GLN   90 - QB    LYS+  33  22.98 +/- 1.67   8.309% * 32.8133% (0.76   0.02   0.02) =  14.817%  kept
    Distance limit 3.91 A violated in 20 structures by 6.57 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.517, support = 5.58, residual support = 150.6:
      O   HA    LYS+  33 - HG2   LYS+  33   3.82 +/- 0.32  38.811% * 93.4686% (0.53  10.0   5.64 154.00) =  97.604%  kept
          HB2   SER   82 - QG    LYS+  81   5.92 +/- 1.38  18.254% *  4.1356% (0.13   1.0   3.50  13.26) =   2.031%  kept
          HA    GLU-  29 - HG2   LYS+  33   6.51 +/- 1.13  10.851% *  0.9077% (0.38   1.0   0.27   0.02) =   0.265%  kept
          HB2   SER   37 - HG2   LYS+  33   7.29 +/- 2.60  15.413% *  0.1484% (0.84   1.0   0.02   0.02) =   0.062%
          HA    VAL   70 - HG2   LYS+  33  11.97 +/- 2.72   3.413% *  0.1484% (0.84   1.0   0.02   0.02) =   0.014%
          HA1   GLY   16 - HG2   LYS+  33  12.95 +/- 3.72   4.593% *  0.0865% (0.49   1.0   0.02   0.02) =   0.011%
          HA    VAL   18 - HG2   LYS+  33  11.57 +/- 2.03   1.966% *  0.0606% (0.34   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HG2   LYS+ 106  14.63 +/- 1.96   0.872% *  0.0900% (0.51   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HG2   LYS+  33  24.96 +/- 5.28   0.375% *  0.1484% (0.84   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HG2   LYS+ 106  17.64 +/- 3.01   0.557% *  0.0900% (0.51   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HG2   LYS+ 106  21.53 +/- 3.34   0.279% *  0.0900% (0.51   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HG2   LYS+ 106  22.87 +/- 4.05   0.401% *  0.0524% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   LYS+  33  22.48 +/- 6.20   0.420% *  0.0494% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - QG    LYS+  81  21.35 +/- 2.51   0.275% *  0.0710% (0.40   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - QG    LYS+  81  21.20 +/- 1.88   0.265% *  0.0710% (0.40   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG    LYS+  81  23.88 +/- 4.74   0.414% *  0.0448% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  24.29 +/- 3.25   0.252% *  0.0710% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  23.88 +/- 5.00   0.374% *  0.0414% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  18.20 +/- 3.24   0.511% *  0.0300% (0.17   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  19.10 +/- 4.55   0.494% *  0.0290% (0.16   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  19.63 +/- 2.76   0.371% *  0.0368% (0.21   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  22.79 +/- 2.97   0.233% *  0.0567% (0.32   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  21.16 +/- 5.19   0.384% *  0.0319% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  22.61 +/- 2.95   0.223% *  0.0404% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.18, residual support = 125.0:
        T QD1   ILE   56 - QG2   ILE   56   2.67 +/- 0.58  75.822% * 99.6085% (0.98 10.00   5.18 125.03) =  99.982%  kept
          QD2   LEU   73 - QG2   ILE   56  11.09 +/- 2.80  11.293% *  0.0814% (0.80  1.00   0.02   0.02) =   0.012%
        T QG1   VAL   41 - QG2   ILE   56  13.99 +/- 2.18   1.013% *  0.1568% (0.15 10.00   0.02   0.02) =   0.002%
          QD2   LEU  123 - QG2   ILE   56   8.33 +/- 2.68  10.364% *  0.0138% (0.14  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QG2   ILE   56  12.31 +/- 1.27   1.022% *  0.0738% (0.73  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QG2   ILE   56  17.37 +/- 2.95   0.487% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.20 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   4.06 +/- 1.59  72.939% * 49.9558% (0.99 10.00   0.02   0.02) =  96.644%  kept
        T HA    ILE   19 - QG2   ILE   56  16.16 +/- 2.16   2.037% * 42.0992% (0.84 10.00   0.02   0.02) =   2.275%  kept
          HA    GLU- 114 - QG2   ILE   56   9.36 +/- 1.58  18.520% *  1.2568% (0.25  1.00   0.02   0.02) =   0.617%  kept
          HA    GLU-  25 - QG2   ILE   56  20.23 +/- 3.62   3.754% *  3.0570% (0.61  1.00   0.02   0.02) =   0.304%  kept
          HA    THR   26 - QG2   ILE   56  19.68 +/- 3.23   1.856% *  2.8535% (0.57  1.00   0.02   0.02) =   0.140%  kept
          HA1   GLY  101 - QG2   ILE   56  20.68 +/- 2.25   0.894% *  0.7777% (0.15  1.00   0.02   0.02) =   0.018%
    Distance limit 3.16 A violated in 8 structures by 1.20 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 = 0.913, support = 4.1, residual support = 21.3:
          HA    PHE   55 - QG2   ILE   56   4.63 +/- 0.61  48.411% * 91.7739% (0.92   4.23  22.07) =  96.516%  kept
          HA    ALA  110 - QG2   ILE   56   9.39 +/- 3.70  21.705% *  7.1636% (0.65   0.47   0.46) =   3.378%  kept
          HA    THR   46 - QG2   ILE   56   7.99 +/- 2.56  20.521% *  0.0930% (0.20   0.02   0.02) =   0.041%
          HA    VAL   42 - QG2   ILE   56  12.47 +/- 2.57   4.896% *  0.3762% (0.80   0.02   0.02) =   0.040%
          HA    GLN   90 - QG2   ILE   56  14.02 +/- 3.01   2.494% *  0.3590% (0.76   0.02   0.02) =   0.019%
          HA    GLN   17 - QG2   ILE   56  17.00 +/- 2.60   1.512% *  0.1171% (0.25   0.02   0.02) =   0.004%
          HA    SER   37 - QG2   ILE   56  22.76 +/- 2.48   0.462% *  0.1171% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 2 structures by 0.90 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  10.15 +/- 1.21 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.00 A violated in 20 structures by 7.16 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 31.4:
          HN    ALA   57 - QG2   ILE   56   3.62 +/- 0.65  63.154% * 99.1101% (0.92   5.28  31.47) =  99.811%  kept
          HE21  GLN  116 - QG2   ILE   56   7.84 +/- 3.39  28.323% *  0.3526% (0.87   0.02   0.02) =   0.159%  kept
          HN    ALA  120 - QG2   ILE   56   8.83 +/- 1.93   7.308% *  0.1978% (0.49   0.02   0.02) =   0.023%
          HE21  GLN   90 - QG2   ILE   56  15.76 +/- 2.94   1.216% *  0.3395% (0.84   0.02   0.02) =   0.007%
    Distance limit 3.48 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.645, support = 6.69, residual support = 124.5:
          HN    ILE   56 - QG2   ILE   56   2.72 +/- 0.69  71.861% * 95.4221% (0.65   6.72 125.03) =  99.547%  kept
          QE    PHE   60 - QG2   ILE   56   7.55 +/- 1.74   7.905% *  3.2577% (0.20   0.75   3.84) =   0.374%  kept
          HN    LEU   63 - QG2   ILE   56   7.55 +/- 1.47  10.992% *  0.3355% (0.76   0.02   0.02) =   0.054%
          HN    LYS+ 111 - QG2   ILE   56   9.20 +/- 2.47   6.312% *  0.1220% (0.28   0.02   0.02) =   0.011%
          HD21  ASN   28 - QG2   ILE   56  18.24 +/- 3.70   1.870% *  0.4052% (0.92   0.02   0.02) =   0.011%
          HZ2   TRP   87 - QG2   ILE   56  16.23 +/- 2.33   0.530% *  0.3355% (0.76   0.02   0.02) =   0.003%
          HN    ALA   84 - QG2   ILE   56  15.76 +/- 2.45   0.530% *  0.1220% (0.28   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.789, support = 3.04, residual support = 6.13:
        T HB    THR   39 - QB    ALA   34   4.68 +/- 1.47  38.606% * 91.4197% (0.80 10.00   3.14   6.44) =  94.195%  kept
          HA    GLN   30 - QB    ALA   34   5.01 +/- 0.95  30.033% *  4.3184% (0.44  1.00   1.74   1.56) =   3.462%  kept
          HB3   SER   37 - QB    ALA   34   5.66 +/- 1.07  22.462% *  3.8771% (0.69  1.00   1.00   0.51) =   2.324%  kept
          QB    SER   13 - QB    ALA   34  11.86 +/- 2.48   5.247% *  0.0941% (0.83  1.00   0.02   0.02) =   0.013%
          HB3   SER   82 - QB    ALA   34  17.74 +/- 4.25   0.909% *  0.1010% (0.89  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - QB    ALA   34  17.77 +/- 1.86   0.566% *  0.0779% (0.69  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - QB    ALA   34  17.26 +/- 3.10   0.938% *  0.0383% (0.34  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   34  21.80 +/- 3.34   0.454% *  0.0577% (0.51  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QB    ALA   34  19.18 +/- 2.65   0.785% *  0.0157% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 1.84, residual support = 10.5:
          HA    LEU   31 - QB    ALA   34   2.28 +/- 0.52 100.000% *100.0000% (0.65   1.84  10.52) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.753, support = 2.94, residual support = 7.83:
        T QG1   VAL   41 - QB    ALA   34   3.27 +/- 1.78  53.545% * 88.4371% (0.75 10.00   2.99   7.69) =  94.473%  kept
          HG    LEU   31 - QB    ALA   34   4.57 +/- 0.86  26.312% * 10.3847% (0.83  1.00   2.12  10.52) =   5.451%  kept
        T QG2   VAL   18 - QB    ALA   34   9.71 +/- 1.72   5.608% *  0.4353% (0.37 10.00   0.02   0.02) =   0.049%
          QD2   LEU   73 - QB    ALA   34   6.06 +/- 1.35  10.484% *  0.0848% (0.72  1.00   0.02   0.02) =   0.018%
        T QD1   ILE   56 - QB    ALA   34  15.10 +/- 1.53   0.492% *  0.5570% (0.47 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - QB    ALA   34   8.17 +/- 1.43   2.696% *  0.0685% (0.58  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - QB    ALA   34  13.15 +/- 1.70   0.864% *  0.0327% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 2.57 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.45, residual support = 21.3:
          HN    ASN   35 - QB    ALA   34   3.01 +/- 0.08  96.824% * 98.6555% (0.62   3.45  21.26) =  99.986%  kept
          HN    ALA   12 - QB    ALA   34  16.27 +/- 2.92   0.962% *  0.8307% (0.89   0.02   0.02) =   0.008%
          HN    PHE   97 - QB    ALA   34  12.55 +/- 2.26   1.800% *  0.2569% (0.28   0.02   0.02) =   0.005%
          HN    LEU  115 - QB    ALA   34  19.71 +/- 2.35   0.414% *  0.2569% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2502 (8.09, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.58, support = 3.69, residual support = 25.1:
      O   HN    ALA   34 - QB    ALA   34   2.03 +/- 0.08  98.659% * 99.6936% (0.58  10.0   3.69  25.11) =  99.999%  kept
          HN    LEU   80 - QB    ALA   34  16.01 +/- 3.46   0.503% *  0.1178% (0.69   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - QB    ALA   34  10.95 +/- 0.71   0.666% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  20.08 +/- 2.53   0.172% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.865, support = 3.49, residual support = 25.1:
      O   HN    ALA   34 - HA    ALA   34   2.75 +/- 0.03  89.175% * 99.6949% (0.87  10.0   3.49  25.11) =  99.996%  kept
          HN    GLN   32 - HA    ALA   34   6.73 +/- 0.24   6.125% *  0.0287% (0.25   1.0   0.02   0.70) =   0.002%
          HN    LEU   80 - HA    ALA   34  20.57 +/- 3.99   0.544% *  0.1031% (0.89   1.0   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    ALA  124  24.83 +/- 8.74   1.662% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  25.32 +/- 2.94   0.150% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  29.20 +/- 5.37   0.516% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  26.33 +/- 8.79   1.660% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  23.65 +/- 2.86   0.169% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2504 (3.87, 4.13, 54.46 ppm):
    16 chemical-shift based assignments, quality = 0.854, support = 2.09, residual support = 4.86:
          HB    THR   39 - HA    ALA   34   4.82 +/- 2.06  34.585% * 68.0884% (0.88   2.54   6.44) =  72.666%  kept
          HB3   SER   37 - HA    ALA   34   4.67 +/- 1.62  33.708% * 22.4275% (0.89   0.82   0.51) =  23.329%  kept
          HA    GLN   30 - HA    ALA   34   6.37 +/- 1.27  18.738% *  6.7430% (0.16   1.41   1.56) =   3.899%  kept
          QB    SER   13 - HA    ALA   34  13.19 +/- 3.02   4.557% *  0.5276% (0.87   0.02   0.02) =   0.074%
          HB    THR  118 - HA    ALA   34  21.94 +/- 3.88   0.510% *  0.4178% (0.69   0.02   0.02) =   0.007%
          HB3   SER   82 - HA    ALA   34  22.79 +/- 4.83   0.463% *  0.3970% (0.65   0.02   0.02) =   0.006%
          HA    ILE   89 - HA    ALA   34  22.91 +/- 1.91   0.298% *  0.5455% (0.89   0.02   0.02) =   0.005%
          HB    THR  118 - HA    ALA  124  13.55 +/- 0.85   1.572% *  0.0959% (0.16   0.02   0.02) =   0.005%
          HB3   SER   37 - HA    ALA  124  25.50 +/- 8.26   0.611% *  0.1252% (0.21   0.02   0.02) =   0.002%
          HB    THR   39 - HA    ALA  124  23.92 +/- 7.52   0.595% *  0.1230% (0.20   0.02   0.02) =   0.002%
          HA    GLN   30 - HA    ALA  124  25.29 +/- 8.15   3.157% *  0.0220% (0.04   0.02   0.02) =   0.002%
          QB    SER   13 - HA    ALA  124  26.14 +/- 6.50   0.331% *  0.1211% (0.20   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA   34  27.41 +/- 3.88   0.241% *  0.1217% (0.20   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    ALA  124  26.89 +/- 2.72   0.186% *  0.1252% (0.21   0.02   0.02) =   0.001%
          HB3   SER   82 - HA    ALA  124  32.59 +/- 6.00   0.200% *  0.0911% (0.15   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA  124  26.63 +/- 3.16   0.246% *  0.0279% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 1 structures by 0.45 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.896, support = 4.02, residual support = 54.6:
      O T HA    ASN   35 - HB2   ASN   35   2.62 +/- 0.12  82.239% * 97.5620% (0.90  10.0 10.00   4.02  54.62) =  99.908%  kept
        T HA    LEU   40 - HB2   ASN   35  10.02 +/- 1.94   9.125% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.080%
        T HA    GLU-  15 - HB2   ASN   35  16.08 +/- 2.23   0.459% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASN   35 - HB2   ASN   28  13.19 +/- 0.99   0.713% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  15 - HB2   ASN   28  17.08 +/- 3.83   0.941% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB2   ASN   35  14.06 +/- 5.38   1.513% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LEU   40 - HB2   ASN   28  15.39 +/- 1.60   0.456% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   ASN   35  25.75 +/- 8.61   0.710% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   ASN   35  18.70 +/- 3.90   0.483% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  19.17 +/- 4.55   1.365% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  24.57 +/- 4.40   0.450% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  17.25 +/- 3.92   0.508% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  26.20 +/- 7.20   0.348% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  27.83 +/- 2.93   0.077% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  24.72 +/- 3.96   0.125% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  22.08 +/- 4.54   0.336% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  31.50 +/- 3.76   0.056% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  29.43 +/- 4.01   0.095% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.82, residual support = 54.6:
      O   HN    ASN   35 - HB2   ASN   35   3.06 +/- 0.45  84.533% * 99.6071% (0.57  10.0   5.82  54.62) =  99.994%  kept
          HN    LYS+  99 - HB2   ASN   35  15.70 +/- 5.45   1.443% *  0.0996% (0.57   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HB2   ASN   28  18.06 +/- 4.46   7.417% *  0.0187% (0.11   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   ASN   28  10.97 +/- 0.63   2.242% *  0.0310% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   ASN   35  17.62 +/- 3.01   0.918% *  0.0600% (0.34   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASN   35  21.27 +/- 5.89   0.559% *  0.0856% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   ASN   35  21.10 +/- 4.95   0.733% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  18.21 +/- 4.22   0.666% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  21.26 +/- 5.62   0.720% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  21.90 +/- 4.95   0.769% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 54.6:
      O   HD21  ASN   35 - HB2   ASN   35   3.01 +/- 0.50  90.866% * 99.7208% (1.00  10.0   3.57  54.62) =  99.997%  kept
          HD21  ASN   35 - HB2   ASN   28  11.51 +/- 1.73   3.185% *  0.0310% (0.31   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   28  11.95 +/- 1.73   1.962% *  0.0237% (0.24   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   35  19.87 +/- 2.39   0.397% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  29.89 +/- 5.35   0.424% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.54 +/- 3.21   0.638% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  18.91 +/- 4.35   1.559% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  25.01 +/- 4.34   0.540% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  29.74 +/- 4.38   0.159% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  25.14 +/- 5.44   0.270% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.821, support = 2.53, residual support = 6.82:
        T HA    GLN   32 - HB2   ASN   35   4.69 +/- 0.80  28.027% * 74.0291% (0.99 10.00   2.06   3.52) =  79.512%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.17 +/- 0.23  35.128% *  7.9253% (0.11 10.00   5.77  32.92) =  10.669%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.50 +/- 0.24  15.260% * 16.6286% (0.22 10.00   2.87   5.21) =   9.725%  kept
        T HA    GLN   32 - HB2   ASN   28   8.15 +/- 0.77   4.935% *  0.2303% (0.31 10.00   0.02   0.02) =   0.044%
        T HA    GLU-  29 - HB2   ASN   35   9.52 +/- 0.68   2.889% *  0.2548% (0.34 10.00   0.02   0.02) =   0.028%
        T HA    LYS+  65 - HB2   ASN   35  20.84 +/- 3.46   0.615% *  0.3349% (0.45 10.00   0.02   0.02) =   0.008%
        T HA    LYS+  33 - HB2   ASN   28  10.61 +/- 0.91   2.248% *  0.0517% (0.07 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HB2   ASN   28  18.63 +/- 3.94   0.821% *  0.1042% (0.14 10.00   0.02   0.02) =   0.003%
          HB2   SER   82 - HB2   ASN   28  18.11 +/- 8.65   2.342% *  0.0104% (0.14  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASN   28  22.77 +/- 4.95   1.146% *  0.0194% (0.26  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASN   35  16.92 +/- 1.81   0.698% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   ASN   35  18.00 +/- 2.92   0.677% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   ASN   28  25.73 +/- 5.03   0.720% *  0.0228% (0.30  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASN   35  28.11 +/- 4.50   0.234% *  0.0624% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   ASN   35  26.66 +/- 4.13   0.164% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  30.26 +/- 3.94   0.138% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  25.44 +/- 6.69   0.269% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  14.82 +/- 1.78   0.960% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  22.44 +/- 5.86   0.349% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  18.88 +/- 6.59   0.819% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  24.10 +/- 4.77   0.242% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  19.41 +/- 3.59   0.703% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  26.99 +/- 7.27   0.353% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  26.97 +/- 5.66   0.265% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.988, support = 4.94, residual support = 51.6:
          QB    GLU-  36 - HB3   ASN   35   4.32 +/- 0.16  70.420% * 97.6862% (0.99   4.95  51.76) =  99.666%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.09 +/- 0.79  19.095% *  1.0332% (0.18   0.30   0.02) =   0.286%  kept
          HB3   GLU-  29 - HB3   ASN   35   9.96 +/- 0.49   5.927% *  0.3673% (0.92   0.02   0.02) =   0.032%
          HG3   GLU-  29 - HB3   ASN   35  11.84 +/- 0.59   3.513% *  0.2253% (0.57   0.02   0.02) =   0.011%
          HB3   GLU-  79 - HB3   ASN   35  23.39 +/- 4.03   0.804% *  0.3840% (0.97   0.02   0.02) =   0.004%
          HB2   GLN   90 - HB3   ASN   35  29.80 +/- 3.05   0.241% *  0.3041% (0.76   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.71, support = 5.48, residual support = 44.7:
          QB    GLU-  36 - HB2   ASN   35   5.10 +/- 0.46  22.513% * 65.2796% (0.99  1.00   5.42  51.76) =  63.486%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.21 +/- 0.33  39.264% * 12.2868% (0.18  1.00   5.74  32.92) =  20.841%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.56 +/- 0.37  18.075% * 19.3604% (0.29  1.00   5.55  32.92) =  15.117%  kept
          HB2   LYS+  38 - HB2   ASN   35   6.66 +/- 0.92  12.346% *  0.8943% (0.18  1.00   0.42   0.02) =   0.477%  kept
        T HB3   GLU-  79 - HB2   ASN   28  16.88 +/- 4.60   1.038% *  0.7300% (0.30 10.00   0.02   0.02) =   0.033%
          HB3   GLU-  29 - HB2   ASN   35  10.99 +/- 0.52   2.280% *  0.2245% (0.92  1.00   0.02   0.02) =   0.022%
          HG3   GLU-  29 - HB2   ASN   35  12.78 +/- 0.57   1.437% *  0.1377% (0.57  1.00   0.02   0.02) =   0.009%
        T HB2   GLN   90 - HB2   ASN   28  25.26 +/- 4.94   0.250% *  0.5781% (0.24 10.00   0.02   0.02) =   0.006%
          QB    GLU-  36 - HB2   ASN   28  12.44 +/- 1.12   1.600% *  0.0750% (0.31  1.00   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HB2   ASN   35  23.80 +/- 3.75   0.322% *  0.2347% (0.97  1.00   0.02   0.02) =   0.003%
          HB2   GLN   90 - HB2   ASN   35  29.96 +/- 3.15   0.122% *  0.1858% (0.76  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HB2   ASN   28  16.62 +/- 1.73   0.753% *  0.0132% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.735, support = 1.88, residual support = 4.47:
          HA    LYS+  33 - HB3   ASN   35   4.22 +/- 0.15  39.814% * 55.7117% (0.92  1.00   1.76   5.21) =  56.923%  kept
          HA    GLN   32 - HB3   ASN   35   3.92 +/- 0.48  48.862% * 34.1196% (0.49  1.00   2.05   3.52) =  42.784%  kept
        T HA    VAL   18 - HB3   ASN   35  16.45 +/- 1.72   0.830% *  6.8280% (1.00 10.00   0.02   0.02) =   0.145%  kept
          HA    GLU-  29 - HB3   ASN   35   8.61 +/- 0.59   4.630% *  0.6783% (0.99  1.00   0.02   0.02) =   0.081%
          HA    VAL   70 - HB3   ASN   35  13.96 +/- 2.62   4.660% *  0.4427% (0.65  1.00   0.02   0.02) =   0.053%
          HB2   SER   82 - HB3   ASN   35  25.10 +/- 6.86   0.311% *  0.6828% (1.00  1.00   0.02   0.02) =   0.005%
          HA    SER   48 - HB3   ASN   35  27.84 +/- 4.70   0.323% *  0.5230% (0.76  1.00   0.02   0.02) =   0.004%
          HA    GLN  116 - HB3   ASN   35  27.66 +/- 4.10   0.201% *  0.4427% (0.65  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   ASN   35  26.59 +/- 4.01   0.192% *  0.3600% (0.53  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HB3   ASN   35  30.06 +/- 4.11   0.177% *  0.2112% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.94, residual support = 54.6:
      O   HA    ASN   35 - HB3   ASN   35   3.04 +/- 0.03  85.538% * 99.4336% (0.90  10.0   3.94  54.62) =  99.988%  kept
          HA    LEU   40 - HB3   ASN   35  10.21 +/- 1.79   9.332% *  0.0717% (0.65   1.0   0.02   0.02) =   0.008%
          HA    LYS+  99 - HB3   ASN   35  14.26 +/- 4.97   2.122% *  0.0847% (0.76   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HB3   ASN   35  25.69 +/- 8.38   0.878% *  0.1087% (0.98   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   ASN   35  18.09 +/- 3.72   0.893% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   ASN   35  15.57 +/- 2.38   0.818% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  27.67 +/- 2.79   0.126% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  24.57 +/- 3.69   0.202% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  31.48 +/- 3.61   0.091% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 54.6:
      O   HD21  ASN   35 - HB3   ASN   35   2.49 +/- 0.31  98.999% * 99.8105% (1.00  10.0   3.26  54.62) =  99.999%  kept
          HD2   HIS   22 - HB3   ASN   35  19.06 +/- 2.22   0.304% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  29.69 +/- 5.55   0.238% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  19.35 +/- 3.09   0.385% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  29.58 +/- 4.22   0.074% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.87, residual support = 51.4:
          HN    GLU-  36 - HB3   ASN   35   2.82 +/- 0.26  89.707% * 92.3400% (0.97   5.91  51.76) =  99.320%  kept
          HN    THR   39 - HB3   ASN   35   7.03 +/- 1.10   8.047% *  6.9907% (0.90   0.48   0.02) =   0.675%  kept
          HN    LYS+ 102 - HB3   ASN   35  16.30 +/- 5.37   1.205% *  0.2704% (0.84   0.02   0.02) =   0.004%
          HN    TRP   27 - HB3   ASN   35  14.16 +/- 0.60   0.782% *  0.0999% (0.31   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB3   ASN   35  22.14 +/- 4.49   0.259% *  0.2989% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.87, residual support = 54.6:
      O   HN    ASN   35 - HB3   ASN   35   2.31 +/- 0.16  99.695% * 99.9102% (0.97  10.0   5.87  54.62) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  20.48 +/- 4.74   0.305% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 54.6:
      O   HD22  ASN   35 - HB3   ASN   35   3.53 +/- 0.26 100.000% *100.0000% (0.99  10.0   3.26  54.62) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 6.0, residual support = 51.4:
          HN    GLU-  36 - HB2   ASN   35   3.68 +/- 0.28  75.535% * 94.8447% (0.92   6.05  51.76) =  99.233%  kept
          HN    THR   39 - HB2   ASN   35   7.14 +/- 0.83  12.349% *  4.3052% (0.53   0.48   0.02) =   0.736%  kept
          HN    LYS+ 102 - HB2   ASN   35  16.02 +/- 5.93   4.454% *  0.3391% (1.00   0.02   0.02) =   0.021%
          HN    LYS+ 102 - HB2   ASN   28  19.06 +/- 5.65   2.341% *  0.1055% (0.31   0.02   0.02) =   0.003%
          HN    GLU-  36 - HB2   ASN   28  12.67 +/- 0.77   1.981% *  0.0976% (0.29   0.02   0.02) =   0.003%
          HD1   TRP   87 - HB2   ASN   35  22.28 +/- 4.60   0.511% *  0.1924% (0.57   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB2   ASN   28  17.69 +/- 5.94   1.571% *  0.0599% (0.18   0.02   0.02) =   0.001%
          HN    THR   39 - HB2   ASN   28  14.60 +/- 1.03   1.258% *  0.0556% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.55, residual support = 86.3:
      O T HA    GLU-  36 - QB    GLU-  36   2.43 +/- 0.16  95.515% * 99.4140% (0.84  10.0 10.00   5.55  86.30) =  99.996%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.11 +/- 1.04   0.853% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  66 - QB    GLU-  36  19.04 +/- 3.78   1.041% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QB    GLU-  36  24.56 +/- 8.61   0.574% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  20.53 +/- 4.82   0.859% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  24.44 +/- 3.63   0.130% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  28.24 +/- 8.30   0.446% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  22.74 +/- 5.03   0.169% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  26.63 +/- 3.52   0.113% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  26.54 +/- 4.67   0.301% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 3.67, residual support = 18.8:
          HN    SER   37 - QB    GLU-  36   3.19 +/- 0.36  63.825% * 91.3235% (0.45   3.71  19.00) =  98.782%  kept
          HN    LYS+  33 - QB    GLU-  36   5.53 +/- 0.77  14.043% *  4.8667% (0.28   0.32   0.02) =   1.158%  kept
          HN    LYS+  33 - HB3   GLU-  29   5.48 +/- 0.91  17.440% *  0.0945% (0.09   0.02   0.02) =   0.028%
          HN    CYS   21 - QB    GLU-  36  16.01 +/- 2.20   0.627% *  1.0588% (0.97   0.02   0.02) =   0.011%
          HN    CYS   21 - HB3   GLU-  29  11.65 +/- 1.65   1.545% *  0.3280% (0.30   0.02   0.02) =   0.009%
          HN    SER   37 - HB3   GLU-  29  11.45 +/- 1.46   1.766% *  0.1524% (0.14   0.02   0.02) =   0.005%
          HN    ILE  119 - QB    GLU-  36  24.28 +/- 4.67   0.208% *  0.9517% (0.87   0.02   0.02) =   0.003%
          HN    ILE   89 - QB    GLU-  36  23.82 +/- 2.55   0.178% *  0.7097% (0.65   0.02   0.02) =   0.002%
          HN    ILE  119 - HB3   GLU-  29  26.07 +/- 4.70   0.170% *  0.2948% (0.27   0.02   0.02) =   0.001%
          HN    ILE   89 - HB3   GLU-  29  23.93 +/- 3.52   0.200% *  0.2199% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.62 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   2.16 +/- 0.22  91.970% * 96.5180% (0.69  10.0   7.31  86.30) =  99.831%  kept
          HN    THR   39 - QB    GLU-  36   6.14 +/- 0.43   4.684% *  3.1776% (0.28   1.0   1.63   0.96) =   0.167%  kept
          HN    LYS+ 102 - QB    GLU-  36  16.28 +/- 4.94   0.599% *  0.1219% (0.87   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   GLU-  29  10.01 +/- 1.11   1.083% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  12.74 +/- 1.76   0.787% *  0.0121% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  19.25 +/- 3.75   0.255% *  0.0350% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  20.28 +/- 4.77   0.199% *  0.0378% (0.27   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  21.49 +/- 3.04   0.120% *  0.0434% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  20.85 +/- 4.72   0.189% *  0.0134% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  22.25 +/- 2.83   0.115% *  0.0109% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.82, residual support = 86.3:
          HN    GLU-  36 - HG2   GLU-  36   3.64 +/- 0.31  97.903% * 98.3915% (0.28   4.82  86.30) =  99.984%  kept
          HN    LYS+ 102 - HG2   GLU-  36  18.83 +/- 5.49   1.454% *  0.6584% (0.45   0.02   0.02) =   0.010%
          HN    ASP- 105 - HG2   GLU-  36  22.46 +/- 4.00   0.643% *  0.9501% (0.65   0.02   0.02) =   0.006%
    Distance limit 4.38 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 = 0.683, support = 4.78, residual support = 85.4:
          HN    GLU-  36 - HG3   GLU-  36   3.50 +/- 0.64  79.032% * 90.6930% (0.69   4.82  86.30) =  98.942%  kept
          HN    THR   39 - HG3   GLU-  36   7.68 +/- 1.55   9.000% *  8.3627% (0.28   1.10   0.96) =   1.039%  kept
          HN    LYS+ 102 - HG3   GLU-  36  18.55 +/- 5.58   2.005% *  0.4753% (0.87   0.02   0.02) =   0.013%
          HN    ASP- 105 - HG3   GLU-  36  22.00 +/- 4.35   0.875% *  0.1366% (0.25   0.02   0.02) =   0.002%
          HN    LYS+ 102 - QB    MET   11  26.25 +/- 7.07   1.559% *  0.0592% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  36 - QB    MET   11  17.80 +/- 4.47   1.902% *  0.0469% (0.09   0.02   0.02) =   0.001%
          HN    THR   39 - QB    MET   11  17.89 +/- 4.19   4.509% *  0.0190% (0.03   0.02   0.02) =   0.001%
          HD1   TRP   87 - HG3   GLU-  36  24.62 +/- 3.56   0.302% *  0.1691% (0.31   0.02   0.02) =   0.001%
          HN    ASP- 105 - QB    MET   11  27.66 +/- 5.20   0.528% *  0.0170% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  28.58 +/- 4.63   0.287% *  0.0211% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.14 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 +/- 0.05  98.950% * 99.6076% (0.28  10.0   6.05  86.30) =  99.998%  kept
          HN    LYS+ 102 - HA    GLU-  36  18.12 +/- 5.52   0.768% *  0.1606% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP- 105 - HA    GLU-  36  21.78 +/- 3.73   0.282% *  0.2318% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 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   3.07 +/- 0.24  98.454% * 99.7690% (0.98  10.0   3.80  29.72) =  99.999%  kept
          HN    CYS   21 - HB2   SER   37  16.62 +/- 3.24   1.033% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  24.16 +/- 2.35   0.240% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  24.03 +/- 3.95   0.274% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2526 (8.29, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.516, support = 0.02, residual support = 0.02:
          HN    GLU-  29 - HB3   SER   37  13.72 +/- 1.81  11.022% * 22.4691% (0.82   0.02   0.02) =  22.320%  kept
          HN    GLN   30 - HB3   SER   37  11.71 +/- 1.88  18.651% * 12.9780% (0.47   0.02   0.02) =  21.815%  kept
          HN    GLU-  29 - QB    SER   13  15.15 +/- 4.27  13.286% * 17.1942% (0.63   0.02   0.02) =  20.588%  kept
          HN    VAL   18 - QB    SER   13   9.78 +/- 1.86  29.075% *  4.8772% (0.18   0.02   0.02) =  12.780%  kept
          HN    GLN   30 - QB    SER   13  13.88 +/- 3.49  11.967% *  9.9312% (0.36   0.02   0.02) =  10.711%  kept
          HN    VAL   18 - HB3   SER   37  15.26 +/- 3.63  11.575% *  6.3735% (0.23   0.02   0.02) =   6.649%  kept
          HN    ASP-  86 - HB3   SER   37  24.88 +/- 3.20   1.955% * 14.8290% (0.54   0.02   0.02) =   2.613%  kept
          HN    ASP-  86 - QB    SER   13  26.17 +/- 4.76   2.468% * 11.3477% (0.41   0.02   0.02) =   2.524%  kept
    Distance limit 3.90 A violated in 18 structures by 4.29 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.914, support = 6.62, residual support = 217.3:
      O   HN    LYS+  38 - HA    LYS+  38   2.22 +/- 0.01  78.363% * 91.8906% (0.92  10.0   6.62 220.04) =  98.602%  kept
          HN    SER   37 - HA    LYS+  38   4.08 +/- 0.18  12.729% *  8.0138% (0.25   1.0   6.46  20.57) =   1.397%  kept
          HN    LYS+  38 - HA    GLU- 100  12.24 +/- 6.95   4.213% *  0.0056% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.02 +/- 1.05   0.983% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100  12.98 +/- 6.89   2.129% *  0.0015% (0.02   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  20.06 +/- 2.89   0.134% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  27.67 +/- 3.65   0.053% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  14.36 +/- 4.43   1.240% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  27.95 +/- 2.85   0.046% *  0.0029% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.42 +/- 3.01   0.110% *  0.0012% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 6.34, residual support = 22.8:
      O   HN    THR   39 - HA    LYS+  38   3.04 +/- 0.10  60.766% * 91.7644% (0.92  10.0   6.42  23.11) =  98.271%  kept
          HN    GLU-  36 - HA    LYS+  38   5.27 +/- 0.28  12.102% *  7.5303% (0.95   1.0   1.60   2.53) =   1.606%  kept
          HN    LYS+ 102 - HA    GLU- 100   5.12 +/- 0.61  14.092% *  0.4788% (0.05   1.0   1.99   0.02) =   0.119%  kept
          HN    LYS+ 102 - HA    LYS+  38  14.58 +/- 5.56   1.790% *  0.0796% (0.80   1.0   0.02   0.02) =   0.003%
          HN    THR   39 - HA    GLU- 100  11.57 +/- 6.82   5.988% *  0.0055% (0.06   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    LYS+  38  21.18 +/- 2.89   0.217% *  0.0940% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100  13.58 +/- 6.38   3.385% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  15.82 +/- 1.37   0.475% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  17.40 +/- 1.92   0.381% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  18.33 +/- 4.95   0.804% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 20.6:
          HN    SER   37 - HB2   LYS+  38   4.64 +/- 0.26  97.004% * 99.1994% (1.00   5.23  20.57) =  99.993%  kept
          HN    ILE  119 - HB2   LYS+  38  25.66 +/- 4.40   0.853% *  0.3043% (0.80   0.02   0.02) =   0.003%
          HN    ILE   89 - HB2   LYS+  38  25.96 +/- 2.35   0.646% *  0.3667% (0.97   0.02   0.02) =   0.002%
          HN    CYS   21 - HB2   LYS+  38  19.67 +/- 2.38   1.497% *  0.1296% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 1 structures by 0.84 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.509, support = 5.3, residual support = 20.1:
          HN    THR   39 - HB2   LYS+  38   4.32 +/- 0.19  69.378% * 69.3427% (0.45   5.97  23.11) =  85.554%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.14 +/- 0.53  27.115% * 29.8971% (0.87   1.33   2.53) =  14.417%  kept
          HN    LYS+ 102 - HB2   LYS+  38  16.27 +/- 5.72   3.017% *  0.5080% (0.98   0.02   0.02) =   0.027%
          HD1   TRP   87 - HB2   LYS+  38  23.52 +/- 2.78   0.490% *  0.2523% (0.49   0.02   0.02) =   0.002%
    Distance limit 3.40 A violated in 0 structures by 0.82 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.753, support = 5.74, residual support = 197.9:
          HN    LYS+  38 - HG2   LYS+  38   3.37 +/- 0.34  69.247% * 71.6436% (0.80   5.85 220.04) =  88.878%  kept
          HN    SER   37 - HG2   LYS+  38   4.98 +/- 0.18  22.127% * 28.0390% (0.38   4.89  20.57) =  11.115%  kept
          HN    LYS+  38 - HG2   LYS+  99  13.10 +/- 6.78   3.126% *  0.0667% (0.22   0.02   0.02) =   0.004%
          HN    SER   37 - HG2   LYS+  99  13.84 +/- 6.88   4.369% *  0.0313% (0.10   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG2   LYS+  38  29.26 +/- 4.06   0.161% *  0.1043% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  25.48 +/- 2.14   0.176% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  19.54 +/- 2.68   0.551% *  0.0186% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  25.98 +/- 3.28   0.244% *  0.0284% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 5.68, residual support = 191.5:
          HN    LYS+  38 - HG3   LYS+  38   4.26 +/- 0.21  58.270% * 69.5389% (0.80   5.74 220.04) =  85.675%  kept
          HN    SER   37 - HG3   LYS+  38   5.91 +/- 0.37  22.397% * 30.2356% (0.38   5.32  20.57) =  14.318%  kept
          HN    LYS+  38 - HG3   LYS+  99  13.76 +/- 6.40   5.913% *  0.0253% (0.08   0.02   0.02) =   0.003%
          HN    SER   37 - HG3   LYS+  99  14.48 +/- 6.60  11.044% *  0.0119% (0.04   0.02   0.02) =   0.003%
          HN    ARG+  54 - HG3   LYS+  38  29.72 +/- 4.31   0.246% *  0.1032% (0.34   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  38  26.06 +/- 2.49   0.302% *  0.0674% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  19.56 +/- 2.81   1.416% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  25.80 +/- 3.47   0.413% *  0.0108% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 3.72, residual support = 36.7:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.03  75.971% * 94.9099% (0.97  10.0   3.72  36.87) =  99.053%  kept
          HN    LYS+ 102 - HA    ILE  103   5.00 +/- 0.20  14.657% *  4.6678% (0.24   1.0   3.96  23.49) =   0.940%  kept
          HN    GLU-  36 - HA    THR   39   8.26 +/- 0.60   3.572% *  0.0882% (0.90   1.0   0.02   0.96) =   0.004%
          HN    LYS+ 102 - HA    THR   39  14.57 +/- 5.35   1.186% *  0.0714% (0.73   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    ILE  103  12.36 +/- 1.97   1.247% *  0.0318% (0.32   1.0   0.02   0.51) =   0.001%
          HD1   TRP   87 - HA    THR   39  19.99 +/- 2.48   0.269% *  0.0964% (0.98   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  15.54 +/- 3.67   0.657% *  0.0314% (0.32   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.12 +/- 1.58   0.482% *  0.0404% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  18.01 +/- 3.76   0.451% *  0.0291% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  18.45 +/- 4.47   0.964% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.08 +/- 1.79   0.413% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  24.95 +/- 2.11   0.132% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.33, residual support = 25.0:
      O   HN    LEU   40 - HA    THR   39   2.26 +/- 0.06  93.271% * 99.8247% (0.57  10.0   4.33  24.98) =  99.996%  kept
          HN    GLY  101 - HA    ILE  103   6.21 +/- 0.53   4.815% *  0.0353% (0.20   1.0   0.02   0.02) =   0.002%
          HN    GLY  101 - HA    THR   39  13.15 +/- 5.88   1.291% *  0.1069% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LEU   40 - HA    ILE  103  13.62 +/- 3.87   0.623% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.68, residual support = 36.9:
      O   HN    THR   39 - HB    THR   39   2.75 +/- 0.51  92.118% * 99.6727% (0.97  10.0   3.68  36.87) =  99.993%  kept
          HN    GLU-  36 - HB    THR   39   7.51 +/- 0.91   5.167% *  0.0926% (0.90   1.0   0.02   0.96) =   0.005%
          HN    LYS+ 102 - HB    THR   39  14.76 +/- 5.03   1.236% *  0.0750% (0.73   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB    THR   39  14.90 +/- 2.37   0.930% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  19.53 +/- 2.37   0.369% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  24.61 +/- 2.02   0.181% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.22, residual support = 25.0:
          HN    LEU   40 - HB    THR   39   3.89 +/- 0.67  92.759% * 99.9154% (0.98   4.22  24.98) =  99.993%  kept
          HN    GLY  101 - HB    THR   39  13.29 +/- 5.60   7.241% *  0.0846% (0.18   0.02   0.02) =   0.007%
    Distance limit 3.89 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.58, support = 0.154, residual support = 0.145:
          HN    LEU   71 - QG2   THR   39   4.95 +/- 2.14  45.288% * 47.5961% (0.60   0.17   0.16) =  92.497%  kept
          HN    GLU- 114 - QB    ALA   91  10.82 +/- 3.35  15.084% *  3.8834% (0.40   0.02   0.02) =   2.514%  kept
          HN    GLN  116 - QB    ALA   91  12.44 +/- 2.75   7.573% *  3.3092% (0.34   0.02   0.02) =   1.075%  kept
          HN    THR  118 - QB    ALA   91  13.40 +/- 2.82   5.671% *  2.2430% (0.23   0.02   0.02) =   0.546%  kept
          HN    LEU   71 - QG2   THR   23  15.43 +/- 1.30   3.353% *  3.2339% (0.33   0.02   0.02) =   0.465%  kept
          HN    GLN  116 - QG2   THR   39  20.14 +/- 2.46   1.250% *  7.0078% (0.72   0.02   0.02) =   0.376%  kept
          HN    PHE   60 - QG2   THR   39  15.34 +/- 2.58   2.822% *  2.8618% (0.30   0.02   0.02) =   0.347%  kept
          HN    GLU- 114 - QG2   THR   39  21.79 +/- 2.47   0.973% *  8.2237% (0.85   0.02   0.02) =   0.344%  kept
          HN    PHE   60 - QG2   THR   23  16.18 +/- 3.82   4.853% *  1.6059% (0.17   0.02   0.02) =   0.334%  kept
          HN    THR  118 - QG2   THR   39  18.76 +/- 2.85   1.592% *  4.7499% (0.49   0.02   0.02) =   0.325%  kept
          HN    PHE   60 - QB    ALA   91  13.46 +/- 1.89   5.460% *  1.3514% (0.14   0.02   0.02) =   0.317%  kept
          HN    GLN  116 - QG2   THR   23  21.84 +/- 3.73   1.429% *  3.9324% (0.41   0.02   0.02) =   0.241%  kept
          HN    THR  118 - QG2   THR   23  21.68 +/- 3.40   1.857% *  2.6654% (0.28   0.02   0.02) =   0.212%  kept
          HN    LEU   71 - QB    ALA   91  19.37 +/- 2.13   1.791% *  2.7214% (0.28   0.02   0.02) =   0.209%  kept
          HN    GLU- 114 - QG2   THR   23  23.30 +/- 3.32   1.003% *  4.6147% (0.48   0.02   0.02) =   0.199%  kept
    Distance limit 3.44 A violated in 9 structures by 1.52 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 = 4.12, residual support = 25.0:
          HN    LEU   40 - QG2   THR   39   3.09 +/- 0.75  98.563% * 99.5013% (0.66   4.12  24.98) =  99.996%  kept
          HN    LEU   40 - QG2   THR   23  17.30 +/- 1.42   0.922% *  0.2708% (0.37   0.02   0.02) =   0.003%
          HN    LEU   40 - QB    ALA   91  20.42 +/- 2.04   0.515% *  0.2279% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.595, support = 3.1, residual support = 14.1:
      O   HN    ALA   91 - QB    ALA   91   2.26 +/- 0.16  57.286% * 89.0897% (0.61  10.0   3.07  12.83) =  94.797%  kept
          HN    THR   39 - QG2   THR   39   3.14 +/- 0.58  27.918% * 10.0197% (0.38   1.0   3.61  36.87) =   5.196%  kept
          HN    TRP   27 - QG2   THR   23   5.05 +/- 0.61   6.367% *  0.0143% (0.10   1.0   0.02   1.20) =   0.002%
          HD1   TRP   87 - QB    ALA   91   9.77 +/- 0.61   0.751% *  0.1123% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - QG2   THR   39   7.08 +/- 1.11   2.603% *  0.0260% (0.18   1.0   0.02   0.96) =   0.001%
          HN    TRP   27 - QG2   THR   39  13.04 +/- 2.22   0.407% *  0.0640% (0.44   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  11.34 +/- 0.92   0.534% *  0.0366% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  14.36 +/- 1.62   0.245% *  0.0773% (0.53   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  19.62 +/- 2.08   0.096% *  0.1356% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.26 +/- 2.88   0.354% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  12.54 +/- 4.28   0.763% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  16.54 +/- 2.06   0.192% *  0.0530% (0.36   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.67 +/- 1.88   0.070% *  0.1176% (0.80   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  15.60 +/- 3.35   0.336% *  0.0173% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  20.50 +/- 1.96   0.101% *  0.0421% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  19.15 +/- 1.93   0.129% *  0.0327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  15.06 +/- 3.47   0.489% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  15.83 +/- 4.21   0.273% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.81 +/- 1.73   0.050% *  0.0551% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  16.94 +/- 1.23   0.145% *  0.0124% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  19.96 +/- 5.45   0.462% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  19.62 +/- 3.17   0.105% *  0.0094% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.26 +/- 0.90   0.163% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  17.95 +/- 3.67   0.162% *  0.0039% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.14, residual support = 9.26:
          HN    MET   92 - QB    ALA   91   2.96 +/- 0.31  74.531% * 96.6064% (0.87   3.14   9.27) =  99.898%  kept
          HN    THR   46 - QB    ALA   91   8.65 +/- 1.70   4.837% *  0.6955% (0.98   0.02   0.02) =   0.047%
          HN    LYS+ 112 - QB    ALA   91   9.78 +/- 3.25   8.068% *  0.2420% (0.34   0.02   0.02) =   0.027%
          HN    LYS+  74 - QG2   THR   39  11.12 +/- 2.13   2.059% *  0.2906% (0.41   0.02   0.02) =   0.008%
          HN    LYS+  74 - QB    ALA   91  15.88 +/- 1.79   0.600% *  0.6154% (0.87   0.02   0.02) =   0.005%
          HN    MET   11 - QG2   THR   39  17.39 +/- 4.57   1.638% *  0.1763% (0.25   0.02   0.02) =   0.004%
          HN    LYS+  74 - QG2   THR   23   9.17 +/- 2.44   4.032% *  0.0647% (0.09   0.02   0.02) =   0.004%
          HN    THR   46 - QG2   THR   39  16.13 +/- 1.93   0.630% *  0.3284% (0.46   0.02   0.02) =   0.003%
          HN    MET   92 - QG2   THR   39  21.23 +/- 2.63   0.327% *  0.2906% (0.41   0.02   0.02) =   0.001%
          HN    THR   46 - QG2   THR   23  14.75 +/- 2.80   1.120% *  0.0731% (0.10   0.02   0.02) =   0.001%
          HN    MET   11 - QG2   THR   23  19.19 +/- 5.23   1.209% *  0.0392% (0.06   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   39  22.11 +/- 3.12   0.256% *  0.1143% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  32.31 +/- 4.19   0.075% *  0.3733% (0.53   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  19.78 +/- 2.93   0.345% *  0.0647% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  22.54 +/- 3.94   0.274% *  0.0254% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.655, support = 5.15, residual support = 80.6:
          HA    LEU   40 - QD2   LEU   40   2.62 +/- 0.68  56.367% * 63.0938% (0.61   6.03 104.88) =  74.606%  kept
          HA    LYS+  99 - QD2   LEU   40   5.94 +/- 5.05  34.199% * 35.3262% (0.80   2.56   9.29) =  25.344%  kept
          HA    ASN   35 - QD2   LEU   40   8.89 +/- 1.80   2.687% *  0.3185% (0.92   0.02   0.02) =   0.018%
          HA    LEU  123 - QD2   LEU   40  14.64 +/- 5.93   2.033% *  0.3420% (0.99   0.02   0.02) =   0.015%
          HA    PRO   58 - QD2   LEU   40  13.21 +/- 3.58   1.609% *  0.1547% (0.45   0.02   0.02) =   0.005%
          HA    GLU-  15 - QD2   LEU   40  12.33 +/- 2.54   1.480% *  0.1419% (0.41   0.02   0.02) =   0.004%
          HA    ILE   56 - QD2   LEU   40  15.33 +/- 2.85   0.598% *  0.3264% (0.95   0.02   0.02) =   0.004%
          HA    SER   13 - QD2   LEU   40  15.79 +/- 3.12   0.760% *  0.1419% (0.41   0.02   0.02) =   0.002%
          HA    ASP- 113 - QD2   LEU   40  18.11 +/- 2.31   0.267% *  0.1547% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.981, support = 4.5, residual support = 103.6:
          HA    LEU   40 - QD1   LEU   40   3.75 +/- 0.43  47.429% * 95.0079% (0.99   4.56 104.88) =  98.651%  kept
          HA    LYS+  99 - QD1   LEU   40   7.76 +/- 4.90  18.847% *  2.7837% (0.31   0.43   9.29) =   1.149%  kept
          HA    PRO   58 - QD1   LEU   40  12.33 +/- 3.54   7.467% *  0.3882% (0.92   0.02   0.02) =   0.063%
          HA    GLU-  15 - QD1   LEU   40  11.58 +/- 3.22   5.923% *  0.3772% (0.90   0.02   0.02) =   0.049%
          HA    LEU  123 - QD1   LEU   40  14.25 +/- 5.90   4.843% *  0.2551% (0.61   0.02   0.02) =   0.027%
          HA    ASN   35 - QD1   LEU   40   9.67 +/- 1.54   4.478% *  0.1886% (0.45   0.02   0.02) =   0.018%
          HA    SER   13 - QD1   LEU   40  15.16 +/- 3.06   1.496% *  0.3772% (0.90   0.02   0.02) =   0.012%
          HA    GLN   17 - QD1   LEU   40  10.59 +/- 3.38   3.867% *  0.1298% (0.31   0.02   0.02) =   0.011%
          HA    SER   37 - QD1   LEU   40  10.17 +/- 0.81   2.620% *  0.1298% (0.31   0.02   0.58) =   0.007%
          HA    ILE   56 - QD1   LEU   40  14.59 +/- 2.94   1.606% *  0.2047% (0.49   0.02   0.02) =   0.007%
          HA    THR   46 - QD1   LEU   40  13.69 +/- 1.42   1.424% *  0.1578% (0.38   0.02   0.02) =   0.005%
    Distance limit 3.80 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 0.02, residual support = 0.02:
        T HB3   HIS  122 - QD1   LEU   40  11.44 +/- 5.57  27.111% * 81.4215% (0.69 10.00   0.02   0.02) =  89.431%  kept
          QE    LYS+ 121 - QD1   LEU   40  11.10 +/- 4.37  23.643% *  4.0433% (0.34  1.00   0.02   0.02) =   3.873%  kept
          HB3   ASP-  78 - QD1   LEU   40  17.87 +/- 1.74   7.846% * 10.6304% (0.90  1.00   0.02   0.02) =   3.379%  kept
          QE    LYS+  74 - QD1   LEU   40  10.71 +/- 1.31  24.926% *  2.0759% (0.18  1.00   0.02   0.02) =   2.096%  kept
          QB    CYS   50 - QD1   LEU   40  14.69 +/- 2.65  16.474% *  1.8289% (0.15  1.00   0.02   0.02) =   1.221%  kept
    Distance limit 3.80 A violated in 16 structures by 3.85 A, eliminated.
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.92, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   9.80 +/- 2.26  35.600% * 27.6510% (1.00   0.02   0.02) =  38.961%  kept
          QD    PHE   59 - QD1   LEU   40  10.58 +/- 2.34  29.780% * 23.0961% (0.84   0.02   0.02) =  27.222%  kept
          HH2   TRP   49 - QD1   LEU   40  17.25 +/- 5.16  17.914% * 26.1568% (0.95   0.02   0.02) =  18.546%  kept
          HD1   TRP   27 - QD1   LEU   40  13.13 +/- 2.11  16.706% * 23.0961% (0.84   0.02   0.02) =  15.272%  kept
    Distance limit 3.84 A violated in 18 structures by 4.12 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.921, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40  10.01 +/- 2.32  34.996% * 27.6510% (1.00   0.02   0.02) =  38.258%  kept
          QD    PHE   59 - QD2   LEU   40  11.02 +/- 2.40  27.110% * 23.0961% (0.84   0.02   0.02) =  24.754%  kept
          HH2   TRP   49 - QD2   LEU   40  17.40 +/- 5.91  19.718% * 26.1568% (0.95   0.02   0.02) =  20.391%  kept
          HD1   TRP   27 - QD2   LEU   40  12.79 +/- 2.05  18.177% * 23.0961% (0.84   0.02   0.02) =  16.597%  kept
    Distance limit 3.65 A violated in 18 structures by 4.51 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.68, residual support = 21.3:
          HN    VAL   41 - QD2   LEU   40   2.68 +/- 0.68 100.000% *100.0000% (0.73   4.68  21.29) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.44, residual support = 8.39:
          HN    LEU   98 - QD2   LEU   40   5.83 +/- 4.04 100.000% *100.0000% (0.97   4.44   8.39) = 100.000%  kept
    Distance limit 3.61 A violated in 5 structures by 2.40 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.83, residual support = 104.9:
      O   HN    LEU   40 - HB3   LEU   40   2.89 +/- 0.44  93.236% * 99.9683% (0.98  10.0   4.83 104.88) =  99.999%  kept
          HN    GLY  101 - HB3   LEU   40  11.57 +/- 5.84   6.118% *  0.0179% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LEU   40 - HB3   LEU  115  20.20 +/- 2.46   0.376% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  21.55 +/- 2.17   0.270% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 5.02, residual support = 104.9:
      O   HN    LEU   40 - HB2   LEU   40   2.39 +/- 0.39  97.668% * 99.9908% (0.76  10.0   5.02 104.88) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.80 +/- 1.68   2.332% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 35.9:
          QG2   VAL   70 - HB2   LEU   40   3.72 +/- 0.76  59.392% * 99.9538% (0.80   3.99  35.87) =  99.968%  kept
          QG2   VAL   70 - HB2   LEU   67   4.61 +/- 1.05  40.608% *  0.0462% (0.07   0.02   0.02) =   0.032%
    Distance limit 3.59 A violated in 2 structures by 0.33 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 35.9:
        T QG2   VAL   70 - HB3   LEU   40   4.29 +/- 0.69  95.753% * 99.8828% (0.98 10.00   3.99  35.87) =  99.995%  kept
        T QG2   VAL   70 - HB3   LEU  115  13.36 +/- 2.10   4.247% *  0.1172% (0.12 10.00   0.02   0.02) =   0.005%
    Distance limit 3.73 A violated in 1 structures by 0.65 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.232, support = 5.0, residual support = 94.2:
      O T HA    LEU   40 - HG    LEU   40   3.40 +/- 0.28  40.508% * 67.0017% (0.18  10.0 10.00   5.51 104.88) =  89.471%  kept
          HA    ASP- 113 - HG    LEU  115   5.79 +/- 1.46  14.151% * 10.3292% (0.53   1.0  1.00   1.01   0.02) =   4.818%  kept
          HA    LYS+  99 - HG    LEU   40   8.70 +/- 5.74  11.272% *  9.8595% (0.98   1.0  1.00   0.53   9.29) =   3.664%  kept
          HA    ILE   56 - HG    LEU  115   7.18 +/- 1.29   6.484% *  5.0812% (0.50   1.0  1.00   0.53   0.10) =   1.086%  kept
        T HA    ASN   35 - HG    LEU   40  10.47 +/- 1.88   7.887% *  3.4311% (0.90   1.0 10.00   0.02   0.02) =   0.892%  kept
          HA    LEU  123 - HG    LEU   40  17.57 +/- 7.12   1.756% *  0.2924% (0.76   1.0  1.00   0.02   0.02) =   0.017%
          HA    PHE   59 - HG    LEU  115   7.39 +/- 0.99   4.681% *  0.0756% (0.20   1.0  1.00   0.02  29.62) =   0.012%
        T HA    ASN   35 - HG    LEU  115  26.26 +/- 2.61   0.103% *  1.9865% (0.52   1.0 10.00   0.02   0.02) =   0.007%
          HA    PHE   59 - HG    LEU   40  13.89 +/- 3.14   1.542% *  0.1305% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          HA    ILE   56 - HG    LEU   40  18.15 +/- 2.89   0.386% *  0.3319% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HG    LEU  115  13.84 +/- 1.00   0.630% *  0.1693% (0.44   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+  99 - HG    LEU   73  13.61 +/- 3.65   1.426% *  0.0699% (0.18   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LEU   40 - HG    LEU  115  20.18 +/- 2.08   0.245% *  0.3879% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          HA    PHE   59 - HG    LEU   73  13.59 +/- 3.79   3.743% *  0.0243% (0.06   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - HG    LEU   40  21.94 +/- 2.70   0.198% *  0.3532% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  115  20.22 +/- 1.97   0.218% *  0.2171% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HG    LEU   73  13.93 +/- 1.80   0.716% *  0.0640% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HG    LEU   73  17.02 +/- 3.62   0.696% *  0.0619% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU   73  19.93 +/- 5.61   0.684% *  0.0545% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU   73  10.94 +/- 2.42   2.469% *  0.0125% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HG    LEU   73  22.55 +/- 4.20   0.206% *  0.0658% (0.17   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 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.97, support = 6.38, residual support = 35.4:
        T QG2   VAL   70 - HG    LEU   40   2.67 +/- 0.77  92.312% * 83.8767% (0.98 10.00   6.43  35.87) =  98.670%  kept
        T QG2   VAL   70 - HG    LEU   73   7.89 +/- 0.96   6.640% * 15.6376% (0.18 10.00   2.41   0.78) =   1.323%  kept
        T QG2   VAL   70 - HG    LEU  115  14.18 +/- 1.48   1.048% *  0.4856% (0.57 10.00   0.02   0.02) =   0.006%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 35.9:
          QG2   VAL   70 - QD1   LEU   40   2.29 +/- 0.65 100.000% *100.0000% (0.80   3.47  35.87) = 100.000%  kept
    Distance limit 2.94 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.42, residual support = 35.9:
          QG2   VAL   70 - QD2   LEU   40   3.26 +/- 0.86 100.000% *100.0000% (0.53   4.42  35.87) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.37 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   9.51 +/- 1.76 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.64 A violated in 20 structures by 6.88 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.768, support = 4.92, residual support = 104.8:
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  55.193% * 41.2222% (0.65  10.0 10.00   4.17 104.88) =  51.402%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.50 +/- 0.42  37.616% * 57.1479% (0.90  10.0  1.00   5.71 104.88) =  48.567%  kept
        T HG    LEU   73 - QD2   LEU   40   9.29 +/- 2.43   1.445% *  0.6457% (0.20   1.0 10.00   0.10   0.02) =   0.021%
          HG    LEU   67 - QD2   LEU   40   7.73 +/- 2.47   3.635% *  0.0487% (0.76   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU  115 - QD2   LEU   40  14.81 +/- 1.92   0.197% *  0.6358% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  74 - QD2   LEU   40  11.96 +/- 2.21   0.494% *  0.1772% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD2   LEU   40  13.05 +/- 3.97   0.575% *  0.0636% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD2   LEU   40  13.94 +/- 2.12   0.282% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40  11.41 +/- 3.78   0.562% *  0.0177% (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 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.262, support = 2.17, residual support = 9.25:
        T HB2   LYS+  99 - QD2   LEU   40   6.21 +/- 5.64  39.700% * 56.5516% (0.28 10.00   2.31   9.29) =  70.284%  kept
        T HB3   LYS+  99 - QD2   LEU   40   6.97 +/- 5.24  22.001% * 42.3809% (0.22 10.00   1.87   9.29) =  29.190%  kept
          HB    VAL   43 - QD2   LEU   40   8.41 +/- 1.07  18.500% *  0.8499% (0.38  1.00   0.22   0.02) =   0.492%  kept
          HB    ILE   89 - QD2   LEU   40  14.46 +/- 1.55   4.063% *  0.1234% (0.61  1.00   0.02   0.02) =   0.016%
          QG1   ILE   56 - QD2   LEU   40  12.14 +/- 2.43  13.185% *  0.0314% (0.15  1.00   0.02   0.02) =   0.013%
          QD    LYS+  81 - QD2   LEU   40  18.38 +/- 1.81   2.551% *  0.0628% (0.31  1.00   0.02   0.02) =   0.005%
    Distance limit 3.08 A violated in 5 structures by 1.38 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.371, support = 0.02, residual support = 0.02:
          HB2   HIS  122 - QD2   LEU   40  11.53 +/- 5.62  37.825% * 19.5836% (0.31   0.02   0.02) =  38.085%  kept
          HA    LYS+ 112 - QD2   LEU   40  16.10 +/- 1.86  12.631% * 35.9222% (0.57   0.02   0.02) =  23.329%  kept
          HA    LEU   63 - QD2   LEU   40   9.55 +/- 2.20  40.564% * 11.1120% (0.18   0.02   0.02) =  23.174%  kept
          HB2   HIS   22 - QD2   LEU   40  17.28 +/- 2.36   8.980% * 33.3822% (0.53   0.02   0.02) =  15.412%  kept
    Distance limit 3.60 A violated in 17 structures by 4.30 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.711, support = 2.79, residual support = 8.43:
          QE    LYS+  99 - QD2   LEU   40   5.46 +/- 5.24  64.183% * 81.4598% (0.69   3.05   9.29) =  89.864%  kept
          QE    LYS+  38 - QD2   LEU   40   7.53 +/- 1.92  33.081% * 17.7633% (0.92   0.50   0.78) =  10.100%  kept
          QE    LYS+ 102 - QD2   LEU   40  11.16 +/- 2.94   2.735% *  0.7769% (1.00   0.02   0.02) =   0.037%
    Distance limit 4.03 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.847, support = 0.76, residual support = 0.652:
        T HB3   PHE   97 - QD2   LEU   40   7.52 +/- 3.91  33.681% * 87.0414% (0.84 10.00   0.75   0.71) =  91.579%  kept
          HB2   GLU- 100 - QD2   LEU   40   9.45 +/- 5.01  21.401% * 12.3168% (0.99  1.00   0.89   0.02) =   8.234%  kept
          HB2   PRO   58 - QD2   LEU   40  14.03 +/- 3.79  15.174% *  0.1043% (0.38  1.00   0.02   0.02) =   0.049%
          QG    GLN   32 - QD2   LEU   40  11.54 +/- 2.21  16.516% *  0.0948% (0.34  1.00   0.02   0.02) =   0.049%
          HB2   GLN  116 - QD2   LEU   40  16.64 +/- 2.84   5.466% *  0.2629% (0.95  1.00   0.02   0.02) =   0.045%
          QG    GLU-  79 - QD2   LEU   40  14.63 +/- 1.62   7.761% *  0.1798% (0.65  1.00   0.02   0.02) =   0.044%
    Distance limit 4.30 A violated in 9 structures by 2.81 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.834, support = 4.38, residual support = 104.8:
      O T HB2   LEU   40 - QD1   LEU   40   2.41 +/- 0.41  77.446% * 99.2435% (0.84  10.0 10.00   4.39 104.88) =  99.900%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.40 +/- 1.73  14.811% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.094%
          HB3   MET   96 - QD1   LEU   40   9.81 +/- 2.15   3.514% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD1   LEU   40  17.21 +/- 4.19   1.257% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   18 - QD1   LEU   40  10.71 +/- 3.20   1.568% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  14 - QD1   LEU   40  13.49 +/- 2.71   1.403% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.343, support = 5.42, residual support = 104.5:
      O   HB2   LEU   40 - QD2   LEU   40   2.92 +/- 0.34  82.386% * 96.6350% (0.34  10.0  1.00   5.44 104.88) =  99.665%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.66 +/- 2.07   9.838% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.313%  kept
          HB    VAL   18 - QD2   LEU   40  11.66 +/- 2.90   3.121% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.011%
          HB3   ARG+  54 - QD2   LEU   40  18.12 +/- 4.08   1.738% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU  115 - QD2   LEU   40  14.38 +/- 2.12   1.461% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG3   PRO   58 - QD2   LEU   40  15.56 +/- 3.57   1.457% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 4.54, residual support = 104.8:
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.02  55.025% * 41.4524% (0.65  10.0  1.00   4.43 104.88) =  53.430%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.56 +/- 0.39  34.538% * 57.4671% (0.90  10.0 10.00   4.68 104.88) =  46.493%  kept
        T HG    LEU   67 - QD1   LEU   40   6.41 +/- 2.07   6.347% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.073%
        T HB3   LEU  115 - QD1   LEU   40  13.63 +/- 2.18   0.275% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QD1   LEU   40  12.94 +/- 3.95   0.553% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   LEU   40   9.01 +/- 2.21   2.228% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - QD1   LEU   40  14.51 +/- 2.07   0.213% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.39 +/- 1.95   0.491% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  13.17 +/- 3.61   0.330% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.957, support = 4.38, residual support = 102.7:
      O T QD1   LEU   40 - HB2   LEU   40   2.41 +/- 0.41  52.834% * 92.1745% (1.00  10.0 10.00   4.39 104.88) =  95.267%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.97 +/- 0.32  31.581% *  7.6201% (0.08  10.0  1.00   4.26  59.32) =   4.708%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.40 +/- 1.73   9.561% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.016%
          QD2   LEU   67 - HB2   LEU   40   7.71 +/- 2.16   5.733% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL  108 - HB2   LEU   40  18.40 +/- 1.46   0.139% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  18.37 +/- 2.17   0.153% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.68, residual support = 104.9:
      O T QD1   LEU   40 - HB3   LEU   40   2.56 +/- 0.39  82.783% * 99.7412% (1.00  10.0 10.00   4.68 104.88) =  99.987%  kept
          QD2   LEU   67 - HB3   LEU   40   8.39 +/- 2.11  10.005% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.011%
        T QD1   LEU   40 - HB3   LEU  115  13.63 +/- 2.18   0.901% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   67 - HB3   LEU  115  14.01 +/- 3.57   2.787% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   9.29 +/- 1.66   3.219% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.97 +/- 1.41   0.305% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.863, support = 4.15, residual support = 104.3:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  62.737% * 88.1080% (0.87  10.0 10.00   4.17 104.88) =  99.396%  kept
          QD1   ILE  119 - HG    LEU  115   4.32 +/- 0.97  10.175% *  1.1771% (0.10   1.0  1.00   2.29  10.06) =   0.215%  kept
          QD2   LEU   71 - HG    LEU   40   6.59 +/- 1.67   7.212% *  1.1751% (0.18   1.0  1.00   1.32   1.56) =   0.152%  kept
        T QD1   LEU   67 - HG    LEU   73   9.23 +/- 1.66   1.182% *  6.2211% (0.16   1.0 10.00   0.79   0.02) =   0.132%  kept
        T QD1   LEU   67 - HG    LEU   40   6.41 +/- 1.79   5.611% *  0.8484% (0.84   1.0 10.00   0.02   0.02) =   0.086%
        T QD2   LEU   40 - HG    LEU   73   9.29 +/- 2.43   1.609% *  0.1643% (0.16   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   67 - HG    LEU  115  13.70 +/- 2.66   0.455% *  0.4912% (0.48   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  74 - HG    LEU   40  14.44 +/- 2.46   0.314% *  0.6161% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T QD2   LEU   40 - HG    LEU  115  14.81 +/- 1.92   0.230% *  0.5101% (0.50   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   75 - HG    LEU   40  11.37 +/- 1.59   0.601% *  0.0881% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  74 - HG    LEU  115  17.59 +/- 2.45   0.136% *  0.3567% (0.35   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG    LEU   40  10.90 +/- 2.69   0.633% *  0.0738% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   73   7.96 +/- 1.07   1.499% *  0.0164% (0.16   1.0  1.00   0.02   1.46) =   0.000%
          HB    VAL   75 - HG    LEU  115  14.67 +/- 2.69   0.286% *  0.0510% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.13 +/- 1.81   0.309% *  0.0427% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  13.00 +/- 3.39   0.953% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   7.52 +/- 1.89   3.799% *  0.0033% (0.03   1.0  1.00   0.02   1.48) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.67 +/- 0.76   1.002% *  0.0115% (0.11   1.0  1.00   0.02  42.18) =   0.000%
          QD1   ILE  119 - HG    LEU   40  13.58 +/- 3.33   0.614% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  13.86 +/- 3.50   0.497% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.60 +/- 2.39   0.147% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.865, support = 3.94, residual support = 75.7:
      O T QG2   VAL   41 - QG1   VAL   41   2.05 +/- 0.06  47.870% * 95.7053% (0.87  10.0 10.00   3.97  76.13) =  99.280%  kept
          QD2   LEU   98 - QG1   VAL   41   5.36 +/- 3.01  14.240% *  1.8208% (0.69   1.0  1.00   0.48  22.29) =   0.562%  kept
        T QG2   VAL   41 - QG2   VAL   18   9.69 +/- 3.34   4.195% *  0.7314% (0.66   1.0 10.00   0.02   0.02) =   0.066%
        T QD1   LEU   73 - QG1   VAL   41   6.63 +/- 2.13   3.543% *  0.3405% (0.31   1.0 10.00   0.02   0.02) =   0.026%
        T QD1   LEU   73 - QG2   VAL   18   7.08 +/- 2.15   3.369% *  0.2602% (0.24   1.0 10.00   0.02   0.97) =   0.019%
          QD2   LEU   98 - QG2   VAL   18  11.32 +/- 3.95   8.875% *  0.0579% (0.52   1.0  1.00   0.02   0.02) =   0.011%
        T QD1   LEU   63 - QG1   VAL   41   9.82 +/- 2.20   1.430% *  0.3405% (0.31   1.0 10.00   0.02   0.02) =   0.011%
        T QD1   LEU   63 - QG2   VAL   18   7.69 +/- 1.78   1.310% *  0.2602% (0.24   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   63 - QG1   VAL   41   8.93 +/- 2.47   2.141% *  0.0989% (0.90   1.0  1.00   0.02   0.02) =   0.005%
        T QD2   LEU   98 - QD2   LEU  104   4.78 +/- 0.81   4.810% *  0.0407% (0.04   1.0 10.00   0.02   9.76) =   0.004%
          QD2   LEU   63 - QG2   VAL   18   7.34 +/- 1.71   1.694% *  0.0756% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   80 - QG1   VAL   41  12.22 +/- 3.82   1.350% *  0.0758% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   VAL   41 - QD2   LEU  104   7.30 +/- 2.22   1.733% *  0.0514% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   80 - QG2   VAL   18  12.02 +/- 5.03   0.551% *  0.0579% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD2   LEU  104  10.63 +/- 3.08   1.030% *  0.0183% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  14.51 +/- 2.79   0.262% *  0.0407% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.72 +/- 2.47   0.573% *  0.0183% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   9.96 +/- 2.81   1.024% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.26, support = 1.21, residual support = 5.67:
          QB    ALA   34 - QG2   VAL   41   4.52 +/- 1.93  47.430% * 40.6560% (0.18   1.50   7.69) =  73.716%  kept
          QB    ALA   88 - QG2   VAL   41  12.11 +/- 2.47   9.797% * 43.3237% (0.61   0.46   0.02) =  16.226%  kept
          HG2   LYS+  99 - QG2   VAL   41   8.84 +/- 3.66  19.469% * 10.8302% (0.20   0.35   0.02) =   8.061%  kept
          QG2   THR   77 - QG2   VAL   41  10.71 +/- 2.66  14.829% *  2.9358% (0.95   0.02   0.02) =   1.664%  kept
          HG2   LYS+  38 - QG2   VAL   41   9.46 +/- 1.30   5.858% *  0.8629% (0.28   0.02   0.02) =   0.193%  kept
          QG2   THR   23 - QG2   VAL   41  12.63 +/- 2.56   2.617% *  1.3914% (0.45   0.02   0.02) =   0.139%  kept
    Distance limit 3.25 A violated in 5 structures by 0.96 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.344, support = 2.42, residual support = 22.0:
        T QB    LEU   98 - QG2   VAL   41   5.06 +/- 2.99  32.375% * 95.1472% (0.34 10.00   2.45  22.29) =  98.893%  kept
        T HB2   LEU   80 - QG2   VAL   41  12.23 +/- 3.51  10.000% *  2.2335% (0.80 10.00   0.02   0.02) =   0.717%  kept
          HB3   LYS+  74 - QG2   VAL   41  10.05 +/- 2.43   3.733% *  0.8663% (0.61  1.00   0.10   0.02) =   0.104%  kept
          HG12  ILE   19 - QG2   VAL   41   9.31 +/- 4.00   7.721% *  0.2783% (1.00  1.00   0.02   0.02) =   0.069%
          HG    LEU   73 - QG2   VAL   41   7.28 +/- 3.33  19.493% *  0.0861% (0.31  1.00   0.02   0.02) =   0.054%
          HG    LEU   80 - QG2   VAL   41  12.73 +/- 4.14   5.654% *  0.2692% (0.97  1.00   0.02   0.02) =   0.049%
          HB3   LEU   67 - QG2   VAL   41  10.39 +/- 1.31   5.753% *  0.1916% (0.69  1.00   0.02   0.02) =   0.035%
          QB    ALA   61 - QG2   VAL   41  10.59 +/- 2.47   4.147% *  0.2330% (0.84  1.00   0.02   0.02) =   0.031%
          QG    LYS+  66 - QG2   VAL   41  12.19 +/- 2.20   5.623% *  0.1358% (0.49  1.00   0.02   0.02) =   0.025%
          QB    ALA  110 - QG2   VAL   41  15.54 +/- 1.95   1.432% *  0.2734% (0.98  1.00   0.02   0.02) =   0.013%
          HD3   LYS+ 121 - QG2   VAL   41  14.83 +/- 4.83   0.866% *  0.1804% (0.65  1.00   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - QG2   VAL   41  10.78 +/- 2.85   2.017% *  0.0621% (0.22  1.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QG2   VAL   41  15.26 +/- 3.45   1.184% *  0.0430% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 3.16 A violated in 6 structures by 1.33 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  11.96 +/- 1.78 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.04 A violated in 20 structures by 8.92 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 = 76.1:
      O   HN    VAL   41 - HB    VAL   41   3.28 +/- 0.42 100.000% *100.0000% (0.47  10.0   4.68  76.13) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 2.56, residual support = 21.5:
          HN    LEU   98 - QG1   VAL   41   6.91 +/- 3.13  31.474% * 96.1501% (0.98   2.62  22.29) =  93.816%  kept
          HN    LEU   98 - QD2   LEU  104   3.79 +/- 1.00  59.012% *  3.2898% (0.05   1.67   9.76) =   6.019%  kept
          HN    LEU   98 - QG2   VAL   18  12.97 +/- 3.44   9.514% *  0.5601% (0.75   0.02   0.02) =   0.165%  kept
    Distance limit 3.79 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.564, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  11.67 +/- 2.58  37.847% * 34.1212% (0.66   0.02   0.02) =  49.531%  kept
          HN    LYS+  66 - HB    VAL   41  14.15 +/- 1.85  21.370% * 29.5320% (0.57   0.02   0.02) =  24.206%  kept
          HN    LYS+  81 - HB    VAL   41  18.22 +/- 3.33  15.777% * 24.2865% (0.47   0.02   0.02) =  14.696%  kept
          QE    PHE   59 - HB    VAL   41  14.63 +/- 2.75  25.006% * 12.0603% (0.23   0.02   0.02) =  11.567%  kept
    Distance limit 3.73 A violated in 19 structures by 6.28 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.29, residual support = 28.6:
      O   HN    VAL   42 - HA    VAL   41   2.27 +/- 0.07  80.530% * 98.7626% (0.98  10.0   5.30  28.65) =  99.755%  kept
          HN    LEU   73 - HA    VAL   41   6.38 +/- 2.19  16.936% *  1.1452% (0.98   1.0   0.23   0.02) =   0.243%  kept
          HN    ILE   19 - HA    VAL   41  10.33 +/- 4.63   2.150% *  0.0611% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HA    VAL   41  14.51 +/- 2.32   0.384% *  0.0311% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.99, residual support = 39.6:
      O   HN    VAL   43 - HA    VAL   42   2.24 +/- 0.04  99.762% * 99.9765% (0.90  10.0   4.99  39.57) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  17.96 +/- 2.19   0.238% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 0.88, support = 0.0762, residual support = 0.02:
          QD1   ILE   89 - QG2   VAL   41   8.90 +/- 1.53  24.525% * 80.1288% (0.98   0.09   0.02) =  76.033%  kept
          QD2   LEU   31 - QG2   VAL   41   5.57 +/- 2.75  54.042% *  5.9362% (0.34   0.02   0.02) =  12.412%  kept
          QG2   VAL   83 - QG2   VAL   41   8.85 +/- 2.21  21.433% * 13.9350% (0.80   0.02   0.02) =  11.555%  kept
    Distance limit 3.03 A violated in 9 structures by 1.95 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 = 4.09, residual support = 28.2:
        T HB    VAL   41 - HB    VAL   42   5.64 +/- 0.83  24.455% * 95.2195% (0.84 10.00   4.14  28.65) =  98.286%  kept
          HB2   LEU   71 - HB    VAL   42   7.85 +/- 2.44  15.811% *  2.2333% (0.42  1.00   0.93   1.07) =   1.490%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.96 +/- 2.55   2.081% *  0.6383% (0.56 10.00   0.02   0.02) =   0.056%
          HG2   PRO   93 - HB2   LYS+ 112   8.47 +/- 2.88  12.936% *  0.0604% (0.53  1.00   0.02   0.02) =   0.033%
          QB    LYS+  66 - HB    VAL   42  10.26 +/- 2.76   7.125% *  0.0984% (0.87  1.00   0.02   0.02) =   0.030%
          HB3   PRO   52 - HB2   LYS+ 112   9.05 +/- 3.58  14.197% *  0.0422% (0.37  1.00   0.02   0.02) =   0.025%
        T HB    VAL   41 - HB2   LYS+ 112  21.48 +/- 2.84   0.519% *  0.6720% (0.59 10.00   0.02   0.02) =   0.015%
          HG12  ILE  103 - HB    VAL   42  10.91 +/- 2.92   3.985% *  0.0856% (0.75  1.00   0.02   0.02) =   0.014%
          HG    LEU  123 - HB    VAL   42  15.88 +/- 5.03   5.327% *  0.0598% (0.53  1.00   0.02   0.02) =   0.013%
          QB    LYS+  65 - HB    VAL   42  10.01 +/- 1.29   4.361% *  0.0519% (0.46  1.00   0.02   0.02) =   0.010%
          QB    LYS+  66 - HB2   LYS+ 112  15.78 +/- 3.36   2.267% *  0.0695% (0.61  1.00   0.02   0.02) =   0.007%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.40 +/- 1.37   0.328% *  0.4504% (0.40 10.00   0.02   0.02) =   0.006%
          HG2   PRO   93 - HB    VAL   42  15.11 +/- 2.14   1.413% *  0.0856% (0.75  1.00   0.02   0.02) =   0.005%
          HB3   PRO   52 - HB    VAL   42  18.15 +/- 3.48   1.273% *  0.0598% (0.53  1.00   0.02   0.02) =   0.003%
          HG    LEU  123 - HB2   LYS+ 112  13.94 +/- 1.67   1.423% *  0.0422% (0.37  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB2   LYS+ 112  14.87 +/- 2.14   1.579% *  0.0366% (0.32  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HB2   LYS+ 112  20.76 +/- 2.32   0.447% *  0.0604% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   LYS+ 112  23.01 +/- 3.83   0.473% *  0.0339% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 14 structures by 1.65 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.01, residual support = 81.5:
          HN    VAL   42 - QG2   VAL   42   2.90 +/- 0.55  69.365% * 74.7918% (0.64   5.34  89.61) =  90.883%  kept
          HN    LEU   73 - QG2   VAL   42   5.79 +/- 1.75  20.855% * 24.8665% (0.64   1.77   1.04) =   9.085%  kept
          HN    LYS+ 106 - QG2   VAL   42   9.73 +/- 2.66   5.628% *  0.2804% (0.64   0.02   0.02) =   0.028%
          HN    ILE   19 - QG2   VAL   42   9.23 +/- 2.73   4.153% *  0.0613% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.36 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.1, residual support = 39.6:
          HN    VAL   43 - QG2   VAL   42   3.71 +/- 0.39 100.000% *100.0000% (0.72   5.10  39.57) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.955, support = 3.97, residual support = 88.2:
      O T HA    VAL   42 - QG1   VAL   42   2.51 +/- 0.39  63.522% * 91.4880% (0.97  10.0 10.00   4.00  89.61) =  98.223%  kept
          HA    THR   46 - QB    ALA   47   3.92 +/- 0.20  18.364% *  5.4596% (0.44   1.0  1.00   2.63  11.18) =   1.695%  kept
        T HA    GLN   17 - QG1   VAL   42  11.47 +/- 3.73   4.735% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.044%
        T HA    PHE   55 - QB    ALA   47  10.38 +/- 1.81   2.231% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.017%
        T HA    VAL   42 - QB    ALA   47  13.75 +/- 1.66   0.542% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.007%
        T HA    PHE   55 - QG1   VAL   42  13.71 +/- 2.03   0.791% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.007%
          HA    GLN   90 - QB    ALA   47   8.92 +/- 3.08   4.258% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - QB    ALA   47  18.86 +/- 4.04   0.210% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG1   VAL   42   9.60 +/- 1.40   1.747% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG1   VAL   42  13.57 +/- 1.17   0.594% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   47  11.27 +/- 2.93   1.404% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QG1   VAL   42  13.54 +/- 2.79   0.887% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  13.52 +/- 1.13   0.587% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  24.21 +/- 2.81   0.127% *  0.0479% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.903, support = 1.66, residual support = 4.43:
          QD    PHE   60 - QG1   VAL   42   5.81 +/- 1.92  33.289% * 89.6163% (0.93   1.73   4.68) =  94.736%  kept
          QE    PHE   59 - QG1   VAL   42   7.77 +/- 2.48  21.475% *  6.1361% (0.33   0.34   0.02) =   4.185%  kept
          HN    LYS+  66 - QG1   VAL   42   8.53 +/- 1.82  13.476% *  0.8949% (0.81   0.02   0.02) =   0.383%  kept
          QD    PHE   60 - QB    ALA   47   9.08 +/- 2.11  11.620% *  0.8929% (0.80   0.02   0.02) =   0.329%  kept
          HN    LYS+  81 - QB    ALA   47  11.75 +/- 3.33   6.806% *  0.6355% (0.57   0.02   0.02) =   0.137%  kept
          HN    LYS+  66 - QB    ALA   47  14.59 +/- 2.99   4.116% *  0.7728% (0.70   0.02   0.02) =   0.101%  kept
          QE    PHE   59 - QB    ALA   47  10.65 +/- 2.08   6.528% *  0.3156% (0.28   0.02   0.02) =   0.065%
          HN    LYS+  81 - QG1   VAL   42  14.54 +/- 1.55   2.689% *  0.7359% (0.66   0.02   0.02) =   0.063%
    Distance limit 3.06 A violated in 12 structures by 1.67 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 5.03, residual support = 80.9:
          HN    VAL   42 - QG1   VAL   42   3.55 +/- 0.56  49.615% * 80.0522% (0.77   5.45  89.61) =  90.137%  kept
          HN    LEU   73 - QG1   VAL   42   5.71 +/- 1.82  22.808% * 18.7727% (0.77   1.28   1.04) =   9.717%  kept
          HN    LYS+ 106 - QB    ALA   47  14.39 +/- 3.61  12.191% *  0.2538% (0.67   0.02   0.02) =   0.070%
          HN    LYS+ 106 - QG1   VAL   42   8.84 +/- 2.63   8.676% *  0.2939% (0.77   0.02   0.02) =   0.058%
          HN    LEU   73 - QB    ALA   47  13.96 +/- 1.57   1.025% *  0.2538% (0.67   0.02   0.02) =   0.006%
          HN    ILE   19 - QG1   VAL   42   9.56 +/- 2.65   4.032% *  0.0643% (0.17   0.02   0.02) =   0.006%
          HN    VAL   42 - QB    ALA   47  14.38 +/- 1.93   0.866% *  0.2538% (0.67   0.02   0.02) =   0.005%
          HN    ILE   19 - QB    ALA   47  16.43 +/- 3.04   0.789% *  0.0555% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.1, residual support = 39.6:
          HN    VAL   43 - QG1   VAL   42   2.84 +/- 0.48  96.111% * 99.3908% (0.40   5.10  39.57) =  99.991%  kept
          HN    VAL   43 - QB    ALA   47  12.43 +/- 1.33   1.711% *  0.3366% (0.34   0.02   0.02) =   0.006%
          HN    VAL   24 - QG1   VAL   42  13.90 +/- 1.47   1.415% *  0.1463% (0.15   0.02   0.02) =   0.002%
          HN    VAL   24 - QB    ALA   47  16.59 +/- 2.93   0.764% *  0.1263% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.42, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   8.10 +/- 3.02  75.072% * 53.6601% (0.43   0.02   0.02) =  77.714%  kept
          HN    LEU  104 - QB    ALA   47  16.42 +/- 3.60  24.928% * 46.3399% (0.37   0.02   0.02) =  22.286%  kept
    Distance limit 3.81 A violated in 19 structures by 3.70 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.71, residual support = 15.7:
          HN    TRP   49 - QB    ALA   47   2.64 +/- 0.23  89.524% * 95.0336% (0.29   3.71  15.67) =  99.885%  kept
          HE22  GLN   30 - QG1   VAL   42   9.34 +/- 1.55   5.613% *  0.9227% (0.53   0.02   0.02) =   0.061%
          HD22  ASN   69 - QG1   VAL   42   9.78 +/- 2.46   3.169% *  1.0613% (0.61   0.02   0.02) =   0.039%
          HE22  GLN   30 - QB    ALA   47  17.20 +/- 2.01   0.394% *  1.2046% (0.69   0.02   0.02) =   0.006%
          HN    TRP   49 - QG1   VAL   42  14.23 +/- 2.64   1.025% *  0.3922% (0.22   0.02   0.02) =   0.005%
          HD22  ASN   69 - QB    ALA   47  19.41 +/- 2.45   0.275% *  1.3857% (0.79   0.02   0.02) =   0.004%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.401, support = 2.26, residual support = 10.5:
      O   HN    ALA   47 - QB    ALA   47   2.31 +/- 0.19  72.776% * 85.4950% (0.39  10.0   2.31  10.76) =  97.171%  kept
          QD    PHE   95 - QG1   VAL   42   5.21 +/- 2.07  16.246% *  5.7645% (0.70   1.0   0.75   0.81) =   1.463%  kept
          QD    PHE   95 - QB    ALA   47   8.39 +/- 1.90  10.078% *  8.6751% (0.91   1.0   0.86   0.24) =   1.365%  kept
          HN    ALA   47 - QG1   VAL   42  11.17 +/- 1.77   0.900% *  0.0655% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 3.31 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 = 2.55, residual support = 19.9:
        T HB3   LEU   73 - QG1   VAL   43   6.96 +/- 3.09  18.278% * 36.3118% (0.69 10.00   0.35   3.58) =  44.190%  kept
          HB    VAL   42 - QG1   VAL   43   5.56 +/- 0.67  13.862% * 43.1632% (0.62  1.00   4.61  39.57) =  39.837%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.19 +/- 0.86  12.422% * 18.5177% (0.34  1.00   3.62  16.39) =  15.316%  kept
          HG    LEU   98 - QG1   VAL   43   5.50 +/- 2.05  20.444% *  0.1762% (0.58  1.00   0.02   0.02) =   0.240%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.51 +/- 2.31  10.121% *  0.2576% (0.85  1.00   0.02   0.02) =   0.174%  kept
          QB    ALA   84 - QG1   VAL   43   7.79 +/- 1.29   5.727% *  0.2081% (0.69  1.00   0.02   0.02) =   0.079%
          HB3   PRO   93 - QG1   VAL   43  10.01 +/- 1.80   3.279% *  0.2181% (0.72  1.00   0.02   0.02) =   0.048%
          HB3   LEU   80 - QG1   VAL   43   8.86 +/- 2.63   6.533% *  0.0539% (0.18  1.00   0.02   0.02) =   0.023%
          HG3   LYS+ 102 - QG1   VAL   43  11.57 +/- 1.76   1.574% *  0.2181% (0.72  1.00   0.02   0.02) =   0.023%
          HG3   LYS+  65 - QG1   VAL   43  12.46 +/- 1.65   1.338% *  0.1871% (0.62  1.00   0.02   0.02) =   0.017%
          HB2   LYS+ 112 - QG1   VAL   43  15.08 +/- 2.30   1.035% *  0.2362% (0.78  1.00   0.02   0.02) =   0.016%
          HG3   LYS+  33 - QG1   VAL   43  12.03 +/- 2.02   1.265% *  0.1652% (0.54  1.00   0.02   0.02) =   0.014%
          HB2   LEU   63 - QG1   VAL   43   9.68 +/- 1.53   2.630% *  0.0757% (0.25  1.00   0.02   0.02) =   0.013%
          QB    ALA  124 - QG1   VAL   43  16.71 +/- 2.99   0.797% *  0.1433% (0.47  1.00   0.02   0.02) =   0.008%
          QB    ALA   12 - QG1   VAL   43  17.59 +/- 3.33   0.695% *  0.0679% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.33 A violated in 0 structures by 0.49 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.266, support = 1.49, residual support = 3.77:
        T HH2   TRP   27 - QG1   VAL   43   5.90 +/- 3.74  54.142% * 47.2884% (0.31 10.00   1.19   3.77) =  51.437%  kept
        T HZ3   TRP   27 - QG1   VAL   43   6.16 +/- 3.42  45.858% * 52.7116% (0.22 10.00   1.81   3.77) =  48.563%  kept
    Distance limit 2.99 A violated in 8 structures by 2.50 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.36, residual support = 61.0:
          HN    VAL   43 - QG1   VAL   43   2.50 +/- 0.81 100.000% *100.0000% (0.80   5.36  61.02) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.355, support = 3.57, residual support = 16.8:
          HN    ASP-  44 - QG2   VAL   43   3.57 +/- 0.43  45.397% * 70.3501% (0.39   3.90  16.39) =  81.487%  kept
          HN    ASN   28 - QD2   LEU   31   4.00 +/- 0.77  36.496% * 18.7681% (0.18   2.22  19.75) =  17.477%  kept
          HN    ASN   28 - QG2   VAL   43  10.02 +/- 3.06   3.834% * 10.0674% (0.63   0.34   0.02) =   0.985%  kept
          HN    GLU-  25 - QG2   VAL   43  12.16 +/- 3.27   2.158% *  0.3351% (0.36   0.02   0.02) =   0.018%
          HN    ASP-  44 - QD2   LEU   31   9.06 +/- 1.81   4.570% *  0.1035% (0.11   0.02   0.02) =   0.012%
          HN    GLU-  25 - QD2   LEU   31   7.81 +/- 0.74   4.395% *  0.0962% (0.10   0.02   0.02) =   0.011%
          HN    ASN   69 - QG2   VAL   43  12.11 +/- 1.12   1.333% *  0.2173% (0.23   0.02   0.02) =   0.007%
          HN    ASN   69 - QD2   LEU   31  12.80 +/- 2.57   1.816% *  0.0623% (0.07   0.02   0.02) =   0.003%
    Distance limit 3.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.21, residual support = 61.0:
      O   HN    VAL   43 - HB    VAL   43   2.99 +/- 0.44 100.000% *100.0000% (0.87  10.0   4.21  61.02) = 100.000%  kept
    Distance limit 3.51 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 = 15.6:
          HN    MET   96 - HB    VAL   43   4.42 +/- 1.34 100.000% *100.0000% (0.51   1.50  15.57) = 100.000%  kept
    Distance limit 3.78 A violated in 1 structures by 0.71 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.61, residual support = 19.2:
        T QD    PHE   45 - HB3   ASP-  44   4.74 +/- 0.37 100.000% *100.0000% (0.80 10.00   4.61  19.16) = 100.000%  kept
    Distance limit 3.87 A violated in 1 structures by 0.87 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.01, residual support = 39.9:
      O   HN    ASP-  44 - HB3   ASP-  44   3.39 +/- 0.40  97.984% * 99.8560% (0.98  10.0   4.01  39.92) =  99.999%  kept
          HN    GLU-  25 - HB3   ASP-  44  17.10 +/- 2.09   0.839% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB3   ASP-  44  15.31 +/- 1.91   1.176% *  0.0457% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.56 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 = 0.92, support = 2.01, residual support = 4.96:
          HA    LYS+  74 - HB2   ASP-  44   6.00 +/- 2.85  74.707% * 92.2585% (0.92  1.00   2.07   5.10) =  97.238%  kept
        T HA    MET   92 - HB2   ASP-  44  11.49 +/- 1.58  25.293% *  7.7415% (0.80 10.00   0.02   0.02) =   2.762%  kept
    Distance limit 4.01 A violated in 9 structures by 1.62 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.14, residual support = 39.9:
      O   HN    ASP-  44 - HB2   ASP-  44   2.80 +/- 0.43  98.586% * 99.8560% (0.98  10.0   3.14  39.92) =  99.999%  kept
          HN    GLU-  25 - HB2   ASP-  44  16.73 +/- 1.69   0.568% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASP-  44  14.78 +/- 1.60   0.846% *  0.0457% (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 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.91, residual support = 33.8:
      O   HN    ASP-  44 - HA    ASP-  44   2.89 +/- 0.03  34.074% * 81.9551% (0.80  10.0   3.85  39.92) =  70.514%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.32 +/- 0.17  65.145% * 17.9245% (0.18  10.0   4.07  19.16) =  29.485%  kept
          HN    ALA  110 - HA    ASP-  44  13.15 +/- 3.01   0.609% *  0.0349% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    ASP-  44  17.52 +/- 1.80   0.172% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2604 (5.97, 4.29, 51.33 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.23:
          HA    PHE   95 - HA    ASP-  44   3.73 +/- 1.93 100.000% *100.0000% (0.87   2.00   4.23) = 100.000%  kept
    Distance limit 3.66 A violated in 4 structures by 0.81 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.1:
        T HB    THR   94 - HB2   PHE   45   2.73 +/- 0.68  83.948% * 98.9931% (0.65 10.00   2.96  27.12) =  99.983%  kept
          QB    SER   48 - HB2   PHE   45   9.77 +/- 0.99   3.474% *  0.1169% (0.76  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - HB2   PHE   45  10.97 +/- 1.57   2.721% *  0.1477% (0.97  1.00   0.02   0.02) =   0.005%
          HD2   PRO   52 - HB2   PHE   45  11.42 +/- 1.75   2.303% *  0.0522% (0.34  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB2   PHE   45  14.79 +/- 3.23   0.834% *  0.1413% (0.92  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   45  13.79 +/- 1.52   1.412% *  0.0745% (0.49  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   PHE   45  10.40 +/- 1.60   3.215% *  0.0268% (0.18  1.00   0.02   0.12) =   0.001%
          HA    ALA  120 - HB2   PHE   45  19.37 +/- 1.44   0.359% *  0.1448% (0.95  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   PHE   45  22.22 +/- 4.84   0.347% *  0.1477% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HB2   PHE   45  19.59 +/- 2.27   0.365% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.02 +/- 1.77   0.672% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  21.39 +/- 2.61   0.350% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.429, support = 2.14, residual support = 9.43:
          QG2   THR   77 - HB2   PHE   45   5.50 +/- 4.82  51.751% * 79.5881% (0.45   2.22  10.19) =  92.400%  kept
          QB    ALA   88 - HB2   PHE   45   9.15 +/- 1.39  18.696% * 16.6975% (0.15   1.35   0.12) =   7.003%  kept
          QG2   ILE   56 - HB2   PHE   45   9.63 +/- 2.21  17.605% *  0.7180% (0.45   0.02   0.02) =   0.284%  kept
          QG2   THR   23 - HB2   PHE   45  15.53 +/- 2.61   4.987% *  1.5150% (0.95   0.02   0.02) =   0.169%  kept
          QB    ALA   34 - HB2   PHE   45  15.14 +/- 1.36   5.586% *  1.0361% (0.65   0.02   0.02) =   0.130%  kept
          HG3   LYS+  38 - HB2   PHE   45  24.26 +/- 1.44   1.374% *  0.4453% (0.28   0.02   0.02) =   0.014%
    Distance limit 3.79 A violated in 6 structures by 1.20 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 14.5:
        T QG2   ILE   89 - HB2   PHE   45   3.69 +/- 1.25  83.092% * 99.8023% (1.00 10.00   0.75  14.47) =  99.973%  kept
          QG1   VAL   83 - HB2   PHE   45   8.50 +/- 1.57  13.831% *  0.1510% (0.57  1.00   0.02   1.50) =   0.025%
          QD1   LEU  104 - HB2   PHE   45  13.89 +/- 1.94   3.077% *  0.0467% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.74 A violated in 3 structures by 0.45 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.877, support = 2.45, residual support = 9.27:
          QG2   THR   77 - HB3   PHE   45   5.72 +/- 4.74  50.466% * 77.9166% (0.87   2.64  10.19) =  90.805%  kept
          QB    ALA   88 - HB3   PHE   45   9.39 +/- 1.23  19.062% * 20.5238% (0.99   0.61   0.12) =   9.035%  kept
          HG2   LYS+ 111 - HB3   PHE   45  14.02 +/- 3.04   9.955% *  0.2553% (0.38   0.02   0.02) =   0.059%
          HB3   LEU   80 - HB3   PHE   45  10.09 +/- 2.74  12.523% *  0.1346% (0.20   0.02   0.02) =   0.039%
          HG2   LYS+  99 - HB3   PHE   45  18.94 +/- 1.81   2.421% *  0.4400% (0.65   0.02   0.02) =   0.025%
          HB2   LEU   31 - HB3   PHE   45  17.80 +/- 3.03   4.037% *  0.2099% (0.31   0.02   0.02) =   0.020%
          HG2   LYS+  38 - HB3   PHE   45  23.44 +/- 1.51   1.535% *  0.5198% (0.76   0.02   0.02) =   0.018%
    Distance limit 3.47 A violated in 5 structures by 1.54 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.15, residual support = 14.5:
        T QG2   ILE   89 - HB3   PHE   45   3.96 +/- 0.98 100.000% *100.0000% (0.69 10.00   1.15  14.47) = 100.000%  kept
    Distance limit 3.60 A violated in 1 structures by 0.53 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.37, residual support = 80.0:
      O   QD    PHE   45 - HB2   PHE   45   2.45 +/- 0.17  99.093% * 99.6976% (0.65  10.0   4.37  80.03) =  99.999%  kept
          HD2   HIS  122 - HB2   PHE   45  15.68 +/- 2.26   0.424% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB2   PHE   45  18.55 +/- 1.92   0.269% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  21.65 +/- 4.22   0.214% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.723, support = 3.63, residual support = 79.6:
      O   HN    PHE   45 - HB2   PHE   45   3.07 +/- 0.54  84.891% * 95.0202% (0.73  10.0   3.63  80.03) =  99.293%  kept
          HN    ASP-  44 - HB2   PHE   45   6.41 +/- 0.69  11.824% *  4.8264% (0.22   1.0   3.31  19.16) =   0.702%  kept
          HN    ALA  110 - HB2   PHE   45  11.87 +/- 2.70   2.652% *  0.1208% (0.92   1.0   0.02   0.02) =   0.004%
          HN    GLU-  25 - HB2   PHE   45  18.36 +/- 3.09   0.634% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.07, residual support = 80.0:
      O   QD    PHE   45 - HB3   PHE   45   2.56 +/- 0.18  98.690% * 99.6976% (0.65  10.0   5.07  80.03) =  99.999%  kept
          HD2   HIS  122 - HB3   PHE   45  15.52 +/- 2.79   0.672% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB3   PHE   45  18.37 +/- 2.12   0.321% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  21.58 +/- 4.54   0.317% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.722, support = 3.95, residual support = 79.6:
      O   HN    PHE   45 - HB3   PHE   45   2.95 +/- 0.63  84.897% * 95.0207% (0.73  10.0   3.95  80.03) =  99.271%  kept
          HN    ASP-  44 - HB3   PHE   45   6.32 +/- 0.50  12.220% *  4.8258% (0.22   1.0   3.31  19.16) =   0.726%  kept
          HN    ALA  110 - HB3   PHE   45  11.74 +/- 2.86   2.193% *  0.1208% (0.92   1.0   0.02   0.02) =   0.003%
          HN    GLU-  25 - HB3   PHE   45  18.50 +/- 3.25   0.690% *  0.0326% (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 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.02, residual support = 3.72:
          HA    ASP-  76 - QG2   THR   46   6.66 +/- 3.56 100.000% *100.0000% (0.41   1.02   3.72) = 100.000%  kept
    Distance limit 3.39 A violated in 13 structures by 3.42 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.33, residual support = 33.9:
          HN    THR   46 - QG2   THR   46   2.67 +/- 0.44  67.381% * 90.6814% (0.76   3.34  34.14) =  99.401%  kept
          HN    LYS+  74 - QG2   THR   46   9.14 +/- 2.41   3.091% *  7.8653% (1.00   0.22   0.02) =   0.396%  kept
          HN    MET   92 - QG2   THR   46   8.02 +/- 2.49  19.337% *  0.4017% (0.57   0.02   0.02) =   0.126%  kept
          HN    LYS+ 112 - QG2   THR   46  11.21 +/- 3.01   9.817% *  0.4590% (0.65   0.02   0.02) =   0.073%
          HN    MET   11 - QG2   THR   46  25.64 +/- 5.31   0.374% *  0.5926% (0.84   0.02   0.02) =   0.004%
    Distance limit 3.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 2.65, residual support = 8.72:
          HN    ALA   47 - QG2   THR   46   3.16 +/- 0.75  73.659% * 54.9180% (0.25   3.20  11.18) =  77.307%  kept
          QD    PHE   95 - QG2   THR   46   6.30 +/- 2.14  26.341% * 45.0820% (0.84   0.78   0.36) =  22.693%  kept
    Distance limit 3.94 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 = 0.313, support = 0.92, residual support = 0.599:
          QB    CYS   50 - QG2   THR   46   4.61 +/- 1.30  48.152% * 81.7499% (0.31   0.99   0.64) =  92.724%  kept
          QE    LYS+  74 - QG2   THR   46   7.08 +/- 3.66  35.870% *  6.9868% (0.28   0.09   0.02) =   5.903%  kept
          HB2   PHE   72 - QG2   THR   46  10.00 +/- 1.89   6.430% *  5.3623% (1.00   0.02   0.02) =   0.812%  kept
          HA    ALA   64 - QG2   THR   46  10.06 +/- 2.27   7.721% *  2.2094% (0.41   0.02   0.02) =   0.402%  kept
          HB3   ASN   69 - QG2   THR   46  15.50 +/- 2.47   1.827% *  3.6916% (0.69   0.02   0.02) =   0.159%  kept
    Distance limit 3.59 A violated in 2 structures by 0.52 A, kept.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.18:
      O   HN    SER   48 - HA    SER   48   2.74 +/- 0.07  98.945% * 99.9333% (0.49  10.0   2.61   9.18) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  16.83 +/- 3.86   0.740% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  20.63 +/- 3.30   0.315% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.41, residual support = 9.18:
      O   HN    SER   48 - QB    SER   48   2.36 +/- 0.21  98.006% * 99.9496% (0.95  10.0   2.41   9.18) =  99.999%  kept
          HN    SER   48 - QB    SER   85  14.25 +/- 3.71   1.535% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  18.96 +/- 3.16   0.460% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.932, support = 4.08, residual support = 84.5:
      O   HN    TRP   49 - HB2   TRP   49   3.50 +/- 0.22  60.165% * 97.0954% (0.95  10.0   4.09  85.95) =  98.179%  kept
          HN    CYS   50 - HB2   TRP   49   4.16 +/- 0.45  38.814% *  2.7896% (0.15   1.0   3.52   4.86) =   1.820%  kept
          HE22  GLN   30 - HB2   TRP   49  23.66 +/- 4.26   0.427% *  0.0948% (0.92   1.0   0.02   0.02) =   0.001%
          HD22  ASN   69 - HB2   TRP   49  25.50 +/- 6.08   0.594% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 4.73, residual support = 85.9:
      O   HD1   TRP   49 - HB2   TRP   49   3.83 +/- 0.23  94.083% * 99.6923% (0.80  10.0   4.73  85.95) =  99.994%  kept
          HD2   HIS   22 - HB2   TRP   49  22.30 +/- 5.23   2.143% *  0.1149% (0.92   1.0   0.02   0.02) =   0.003%
          HD21  ASN   35 - HB2   TRP   49  31.21 +/- 7.05   1.975% *  0.1178% (0.95   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HB2   TRP   49  20.56 +/- 4.14   1.028% *  0.0558% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   TRP   49  21.84 +/- 4.09   0.771% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.782, support = 4.1, residual support = 85.0:
      O   HN    TRP   49 - HB3   TRP   49   3.02 +/- 0.39  70.723% * 97.0616% (0.79  10.0   4.10  85.95) =  98.835%  kept
          HN    CYS   50 - HB3   TRP   49   4.30 +/- 0.48  28.644% *  2.8234% (0.13   1.0   3.57   4.86) =   1.164%  kept
          HE22  GLN   30 - HB3   TRP   49  23.84 +/- 3.88   0.302% *  0.0947% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  25.99 +/- 5.83   0.331% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2624 (7.36, 3.15, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 4.75, residual support = 85.9:
      O   HD1   TRP   49 - HB3   TRP   49   2.90 +/- 0.20  96.835% * 99.6923% (0.67  10.0   4.75  85.95) =  99.997%  kept
          HD2   HIS   22 - HB3   TRP   49  22.34 +/- 5.03   1.755% *  0.1149% (0.77   1.0   0.02   0.02) =   0.002%
          HD21  ASN   35 - HB3   TRP   49  31.39 +/- 6.63   0.469% *  0.1178% (0.79   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   49  21.09 +/- 4.02   0.416% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  21.77 +/- 3.97   0.525% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.697, support = 0.02, residual support = 2.34:
          HB2   PRO   52 - HB3   TRP   49  10.63 +/- 1.16  59.360% * 45.9163% (0.72   0.02   3.23) =  72.230%  kept
          HB2   ASP-  62 - HB3   TRP   49  18.66 +/- 3.76  18.967% * 45.9163% (0.72   0.02   0.02) =  23.080%  kept
          HG2   MET   96 - HB3   TRP   49  19.79 +/- 4.17  21.672% *  8.1674% (0.13   0.02   0.02) =   4.691%  kept
    Distance limit 3.91 A violated in 20 structures by 6.23 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.556, support = 0.02, residual support = 0.02:
          QE    LYS+ 112 - HB3   TRP   49  13.56 +/- 3.04  25.173% * 16.1708% (0.47   0.02   0.02) =  23.232%  kept
          HB    VAL  107 - HB3   TRP   49  17.70 +/- 3.63  14.873% * 27.0190% (0.79   0.02   0.02) =  22.934%  kept
          HB3   PHE   45 - HB3   TRP   49  13.31 +/- 0.96  23.578% * 16.1708% (0.47   0.02   0.02) =  21.761%  kept
          QG    GLU-  79 - HB3   TRP   49  15.83 +/- 4.16  23.099% * 13.9029% (0.41   0.02   0.02) =  18.329%  kept
          QG    GLN   32 - HB3   TRP   49  27.57 +/- 5.70   9.970% * 22.8711% (0.67   0.02   0.02) =  13.014%  kept
          HG2   GLU-  29 - HB3   TRP   49  28.86 +/- 5.52   3.307% *  3.8655% (0.11   0.02   0.02) =   0.730%  kept
    Distance limit 3.97 A violated in 20 structures by 5.98 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 3.58, residual support = 6.87:
          QB    ALA   47 - QB    CYS   50   3.78 +/- 0.48  80.330% * 98.8097% (0.65   3.58   6.88) =  99.914%  kept
          QB    ALA   64 - QB    CYS   50  11.06 +/- 1.80   4.937% *  0.5517% (0.65   0.02   0.02) =   0.034%
          QG1   VAL   42 - QB    CYS   50  11.66 +/- 2.09   5.119% *  0.4487% (0.53   0.02   0.02) =   0.029%
          HG2   LYS+ 112 - QB    CYS   50  10.97 +/- 3.33   9.615% *  0.1899% (0.22   0.02   0.02) =   0.023%
    Distance limit 3.61 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.984, support = 1.54, residual support = 7.71:
        T HB2   CYS   53 - QB    CYS   50   3.14 +/- 0.84  62.916% * 89.6366% (1.00 10.00   1.50   8.12) =  94.918%  kept
          HD3   PRO   52 - QB    CYS   50   5.09 +/- 1.16  29.892% * 10.0883% (0.73  1.00   2.32   0.11) =   5.075%  kept
          HD2   PRO   58 - QB    CYS   50   9.70 +/- 1.73   4.013% *  0.0583% (0.49  1.00   0.02   0.02) =   0.004%
          HA    VAL   83 - QB    CYS   50  16.94 +/- 2.61   1.316% *  0.0492% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    CYS   50  18.17 +/- 3.18   1.288% *  0.0267% (0.22  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QB    CYS   50  21.09 +/- 2.57   0.314% *  0.0959% (0.80  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - QB    CYS   50  24.09 +/- 3.33   0.262% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.795, support = 1.58, residual support = 7.49:
      O   HN    CYS   50 - QB    CYS   50   2.89 +/- 0.28  76.904% * 88.3255% (0.80  10.0   1.55   7.59) =  96.421%  kept
          HN    TRP   49 - QB    CYS   50   4.56 +/- 0.34  21.746% * 11.5904% (0.65   1.0   2.51   4.86) =   3.578%  kept
          HN    VAL   83 - QB    CYS   50  16.15 +/- 3.07   1.005% *  0.0486% (0.34   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    CYS   50  18.48 +/- 1.94   0.345% *  0.0355% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.2:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  97.778% * 97.0144% (0.87  10.0 10.00   2.81  10.17) =  99.983%  kept
        T QB    SER   48 - HA1   GLY   51   8.45 +/- 1.01   1.259% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.015%
        T QB    SER  117 - HA1   GLY   51  18.01 +/- 2.14   0.104% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   85 - HA1   GLY   51  19.62 +/- 3.25   0.088% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA1   GLY   51  14.38 +/- 2.20   0.243% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  19.91 +/- 3.24   0.127% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  22.00 +/- 2.77   0.060% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  24.06 +/- 2.84   0.052% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  13.96 +/- 2.13   0.252% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  27.99 +/- 5.04   0.036% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 3.31, residual support = 37.5:
          HB3   CYS   53 - HB2   PRO   52   6.03 +/- 0.67  16.256% * 77.1440% (0.99   4.64  55.41) =  67.419%  kept
          QB    PHE   55 - HB2   PRO   52   4.39 +/- 0.40  39.347% * 10.1596% (0.92   0.66   0.37) =  21.491%  kept
          HD3   PRO   93 - HB2   PRO   52   9.15 +/- 5.35  24.629% *  6.6840% (0.98   0.41   0.02) =   8.850%  kept
          HD2   ARG+  54 - HB2   PRO   52   8.40 +/- 1.19   8.150% *  4.9159% (0.97   0.30   1.92) =   2.154%  kept
          HB2   PHE   59 - HB2   PRO   52  10.82 +/- 2.17   3.050% *  0.2303% (0.69   0.02   0.02) =   0.038%
          HD3   PRO   68 - HB2   PRO   52  21.31 +/- 3.35   0.727% *  0.3235% (0.97   0.02   0.02) =   0.013%
          HB2   PHE   59 - HG2   MET   96  14.23 +/- 2.80   2.633% *  0.0676% (0.20   0.02   0.02) =   0.010%
          HD3   PRO   93 - HG2   MET   96  14.33 +/- 1.41   1.547% *  0.0965% (0.29   0.02   0.02) =   0.008%
          HB3   CYS   53 - HG2   MET   96  16.10 +/- 2.08   1.234% *  0.0976% (0.29   0.02   0.02) =   0.006%
          QB    PHE   55 - HG2   MET   96  16.55 +/- 2.05   1.034% *  0.0909% (0.27   0.02   0.02) =   0.005%
          HD3   PRO   68 - HG2   MET   96  17.51 +/- 3.16   0.825% *  0.0950% (0.28   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HG2   MET   96  21.30 +/- 3.14   0.569% *  0.0950% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.04 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.362, support = 1.64, residual support = 15.1:
        T HD3   PRO   93 - HB3   PRO   52   9.16 +/- 4.56  22.854% * 35.7509% (0.41 10.00   0.37   0.02) =  46.172%  kept
          HB3   CYS   53 - HB3   PRO   52   6.19 +/- 0.82  16.148% * 29.2859% (0.25  1.00   4.96  55.41) =  26.725%  kept
          QB    PHE   55 - HB3   PRO   52   4.35 +/- 0.57  42.377% *  6.6096% (0.53  1.00   0.53   0.37) =  15.828%  kept
        T HD2   ARG+  54 - HB3   PRO   52   8.49 +/- 1.26   7.687% * 25.6094% (0.20 10.00   0.55   1.92) =  11.125%  kept
        T HD3   PRO   68 - HB3   PRO   52  21.71 +/- 3.54   0.579% *  2.1247% (0.45 10.00   0.02   0.02) =   0.070%
          HB2   PHE   59 - HB3   PRO   52  10.98 +/- 2.26   3.168% *  0.3795% (0.80  1.00   0.02   0.02) =   0.068%
        T HD2   ARG+  54 - QB    LYS+  81  20.26 +/- 4.13   0.744% *  0.1076% (0.02 10.00   0.02   0.02) =   0.005%
          HD3   PRO   93 - QB    LYS+  81  13.19 +/- 3.05   2.639% *  0.0223% (0.05  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - QB    LYS+  81  16.09 +/- 3.63   2.018% *  0.0136% (0.03  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - QB    LYS+  81  17.59 +/- 3.07   0.898% *  0.0286% (0.06  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - QB    LYS+  81  19.01 +/- 1.81   0.549% *  0.0435% (0.09  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - QB    LYS+  81  22.50 +/- 2.75   0.337% *  0.0244% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.525, support = 0.02, residual support = 0.0226:
          HB3   LEU  115 - HB2   PRO   52  11.19 +/- 2.96   7.686% *  8.3913% (0.84   0.02   0.02) =  18.262%  kept
          QB    ALA  110 - HB2   PRO   52   9.37 +/- 4.51  14.026% *  2.7932% (0.28   0.02   0.02) =  11.093%  kept
          HG    LEU   67 - HB2   PRO   52  19.72 +/- 3.86   3.330% *  7.2951% (0.73   0.02   0.02) =   6.878%  kept
          QB    ALA   61 - HB2   PRO   52  12.14 +/- 1.70   4.709% *  4.8900% (0.49   0.02   0.02) =   6.520%  kept
          HG    LEU   73 - HB2   PRO   52  19.61 +/- 4.54   2.097% *  9.6953% (0.97   0.02   0.02) =   5.756%  kept
          HG    LEU  115 - HB2   PRO   52  10.65 +/- 2.41   7.205% *  2.7932% (0.28   0.02   0.02) =   5.698%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.12 +/- 1.49   6.342% *  2.9446% (0.29   0.02   0.02) =   5.288%  kept
          HG    LEU   40 - HB2   PRO   52  21.23 +/- 3.60   2.067% *  8.3913% (0.84   0.02   0.02) =   4.911%  kept
          QG    LYS+  66 - HB2   PRO   52  16.48 +/- 2.72   1.805% *  8.3913% (0.84   0.02   0.02) =   4.288%  kept
          HB3   LEU   67 - HB2   PRO   52  19.22 +/- 3.40   2.186% *  6.4990% (0.65   0.02   0.02) =   4.022%  kept
          HG    LEU   40 - HG2   MET   96  12.10 +/- 2.65   5.687% *  2.4650% (0.25   0.02   0.02) =   3.969%  kept
          HG    LEU   73 - HG2   MET   96  13.18 +/- 3.14   4.833% *  2.8481% (0.28   0.02   0.02) =   3.897%  kept
          QG    LYS+  66 - HG2   MET   96  15.42 +/- 3.29   5.089% *  2.4650% (0.25   0.02   0.02) =   3.552%  kept
          QB    ALA   61 - HG2   MET   96  13.00 +/- 2.60   6.181% *  1.4365% (0.14   0.02   0.02) =   2.514%  kept
          HB3   LEU  115 - HG2   MET   96  13.26 +/- 1.96   3.485% *  2.4650% (0.25   0.02   0.11) =   2.432%  kept
          QB    ALA  120 - HB2   PRO   52  15.63 +/- 2.36   2.306% *  2.7932% (0.28   0.02   0.02) =   1.824%  kept
          HG    LEU   67 - HG2   MET   96  15.52 +/- 2.87   2.437% *  2.1430% (0.21   0.02   0.02) =   1.478%  kept
          HG    LEU   80 - HB2   PRO   52  20.47 +/- 4.20   1.646% *  3.1007% (0.31   0.02   0.02) =   1.445%  kept
          HG2   LYS+ 102 - HB2   PRO   52  27.75 +/- 3.49   0.439% * 10.0239% (1.00   0.02   0.02) =   1.246%  kept
          HB3   LEU   67 - HG2   MET   96  15.68 +/- 2.66   2.066% *  1.9091% (0.19   0.02   0.02) =   1.117%  kept
          HG    LEU   80 - HG2   MET   96  14.34 +/- 3.72   3.244% *  0.9109% (0.09   0.02   0.02) =   0.837%  kept
          HG12  ILE   19 - HB2   PRO   52  23.26 +/- 4.62   1.221% *  2.2366% (0.22   0.02   0.02) =   0.773%  kept
          QB    ALA  110 - HG2   MET   96  13.11 +/- 1.28   3.025% *  0.8205% (0.08   0.02   0.02) =   0.703%  kept
          HG    LEU  115 - HG2   MET   96  14.39 +/- 1.94   2.461% *  0.8205% (0.08   0.02   0.11) =   0.572%  kept
          QB    ALA  120 - HG2   MET   96  15.01 +/- 2.73   2.199% *  0.8205% (0.08   0.02   0.02) =   0.511%  kept
          HG12  ILE   19 - HG2   MET   96  17.26 +/- 3.31   2.229% *  0.6570% (0.07   0.02   0.02) =   0.415%  kept
    Distance limit 3.18 A violated in 15 structures by 2.55 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.668, support = 0.02, residual support = 0.02:
          HB3   PRO   93 - HD2   PRO   52   9.38 +/- 3.01  25.501% *  5.3763% (0.65  1.00   0.02   0.02) =  18.113%  kept
        T QB    ALA   88 - HD2   PRO   52  15.72 +/- 2.76   7.565% * 14.5547% (0.18 10.00   0.02   0.02) =  14.547%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.26 +/- 1.88  11.870% *  8.1462% (0.98  1.00   0.02   0.02) =  12.775%  kept
          HB2   LEU   63 - HD2   PRO   52  14.36 +/- 2.90   9.729% *  8.3107% (1.00  1.00   0.02   0.02) =  10.682%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  18.79 +/- 2.77   5.649% * 12.8231% (0.15 10.00   0.02   0.02) =   9.569%  kept
          QB    ALA   84 - HD2   PRO   52  13.46 +/- 3.28  10.772% *  5.7087% (0.69  1.00   0.02   0.02) =   8.124%  kept
          HG2   LYS+ 111 - HD2   PRO   52  13.82 +/- 2.78   8.096% *  6.9417% (0.84  1.00   0.02   0.02) =   7.425%  kept
          HB3   LEU   80 - HD2   PRO   52  18.04 +/- 3.81   5.434% *  8.1462% (0.98  1.00   0.02   0.02) =   5.849%  kept
          HB2   LEU   31 - HD2   PRO   52  25.05 +/- 4.62   5.010% *  7.4533% (0.90  1.00   0.02   0.02) =   4.933%  kept
          HG    LEU   98 - HD2   PRO   52  21.82 +/- 2.87   3.396% *  6.6547% (0.80  1.00   0.02   0.02) =   2.985%  kept
          HG2   LYS+  99 - HD2   PRO   52  26.55 +/- 4.11   3.813% *  4.7052% (0.57  1.00   0.02   0.02) =   2.370%  kept
          QB    ALA  124 - HD2   PRO   52  22.08 +/- 2.61   2.172% *  7.4533% (0.90  1.00   0.02   0.02) =   2.138%  kept
          HG2   LYS+  38 - HD2   PRO   52  29.98 +/- 4.06   0.995% *  3.7260% (0.45  1.00   0.02   0.02) =   0.490%  kept
    Distance limit 3.65 A violated in 20 structures by 4.10 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.35, residual support = 223.0:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  98.087% * 97.1447% (0.80  10.0 10.00   7.35 222.99) =  99.986%  kept
        T HA    SER   48 - HD3   PRO   52   8.59 +/- 1.22   1.038% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.013%
        T HB2   SER   82 - HD3   PRO   52  22.38 +/- 3.77   0.061% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HD3   PRO   52  22.65 +/- 4.34   0.095% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  19.22 +/- 3.10   0.096% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  22.40 +/- 4.34   0.075% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  29.35 +/- 4.87   0.045% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  28.48 +/- 5.23   0.060% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  16.04 +/- 2.68   0.179% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  19.73 +/- 3.05   0.100% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  18.76 +/- 3.12   0.100% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  30.25 +/- 4.33   0.028% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  27.75 +/- 5.25   0.036% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.863, support = 7.33, residual support = 221.6:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  92.587% * 88.4374% (0.87  10.0 10.00   7.35 222.99) =  99.144%  kept
          HB2   CYS   53 - HD2   PRO   52   4.34 +/- 0.48   6.851% * 10.3048% (0.38   1.0  1.00   5.39  55.41) =   0.855%  kept
        T HB3   SER   82 - HD2   PRO   52  21.43 +/- 3.29   0.063% *  0.9412% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HD2   PRO   52  14.95 +/- 2.69   0.198% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  25.27 +/- 3.79   0.046% *  0.0816% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  25.82 +/- 4.28   0.045% *  0.0618% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  15.94 +/- 1.93   0.147% *  0.0157% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  27.00 +/- 4.30   0.035% *  0.0660% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  28.71 +/- 4.12   0.029% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.5:
      O   HA1   GLY   51 - HD3   PRO   52   2.42 +/- 0.41  90.995% * 97.0168% (0.76  10.0  1.00   3.95  13.52) =  99.977%  kept
        T HA    ILE  103 - HD3   PRO   52  23.48 +/- 3.69   0.842% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.012%
        T HA    THR   39 - HD3   PRO   52  27.05 +/- 4.42   0.344% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   57 - HD3   PRO   52  10.97 +/- 2.07   4.378% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   77 - HD3   PRO   52  14.61 +/- 5.44   1.652% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HD3   PRO   52  14.19 +/- 1.66   0.734% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HD3   PRO   52  18.69 +/- 5.08   0.558% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HD3   PRO   52  19.69 +/- 3.36   0.220% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  36.41 +/- 6.68   0.064% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  22.22 +/- 2.52   0.153% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  34.55 +/- 5.62   0.059% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.12, residual support = 13.5:
      O   HA1   GLY   51 - HD2   PRO   52   3.16 +/- 0.36  88.678% * 92.3448% (0.34  10.0  1.00   5.13  13.52) =  99.928%  kept
        T HA    ILE  103 - HD2   PRO   52  22.35 +/- 3.29   0.968% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.029%
        T HA    SER   85 - HD2   PRO   52  19.07 +/- 3.22   0.505% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.016%
          HB    THR   77 - HD2   PRO   52  13.75 +/- 5.30   3.656% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.012%
        T HA    THR   39 - HD2   PRO   52  25.98 +/- 3.92   0.359% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.005%
          HA    ASP-  44 - HD2   PRO   52  13.00 +/- 1.20   1.588% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HA    GLU-  79 - HD2   PRO   52  17.83 +/- 4.74   1.159% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  104 - HD2   PRO   52  23.40 +/- 4.20   2.322% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HD2   PRO   52  21.49 +/- 2.36   0.320% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD2   PRO   52  35.42 +/- 6.43   0.153% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HD2   PRO   52  28.67 +/- 3.95   0.167% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  33.53 +/- 5.39   0.126% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.0:
      O   HG2   PRO   52 - HD3   PRO   52   2.85 +/- 0.18  88.336% * 99.6603% (0.90  10.0   6.60 222.99) =  99.994%  kept
          HG2   MET   92 - HD3   PRO   52  10.62 +/- 4.59   8.340% *  0.0417% (0.38   1.0   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HD3   PRO   52  17.97 +/- 5.21   1.253% *  0.0585% (0.53   1.0   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD3   PRO   52  13.96 +/- 2.10   1.140% *  0.0498% (0.45   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD3   PRO   52  28.41 +/- 5.99   0.233% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.36 +/- 1.20   0.619% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  32.61 +/- 4.29   0.079% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 223.0:
      O   HG3   PRO   52 - HD3   PRO   52   2.36 +/- 0.18  95.989% * 99.3977% (0.97  10.0  1.00   6.60 222.99) =  99.993%  kept
        T HB2   PRO   93 - HD3   PRO   52  10.42 +/- 2.55   2.701% *  0.2038% (0.20   1.0 10.00   0.02   0.02) =   0.006%
          HG2   PRO   58 - HD3   PRO   52  13.79 +/- 1.16   0.570% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HD3   PRO   52  25.30 +/- 4.49   0.146% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.94 +/- 5.55   0.308% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  30.20 +/- 4.72   0.069% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  36.79 +/- 6.48   0.057% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  26.30 +/- 4.56   0.162% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.567, support = 6.78, residual support = 222.3:
      O   HB3   PRO   52 - HD3   PRO   52   3.80 +/- 0.29  72.466% * 96.7755% (0.57  10.0   6.80 222.99) =  99.665%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.74 +/- 0.87  11.016% *  1.9805% (0.95   1.0   0.24   1.92) =   0.310%  kept
          HB3   ASP- 105 - HD3   PRO   52  20.62 +/- 3.95   4.243% *  0.1578% (0.92   1.0   0.02   0.02) =   0.010%
          QB    LYS+  81 - HD3   PRO   52  16.62 +/- 4.68   1.668% *  0.1174% (0.69   1.0   0.02   0.02) =   0.003%
          HB3   GLN   90 - HD3   PRO   52  16.19 +/- 3.84   1.444% *  0.1306% (0.76   1.0   0.02   0.02) =   0.003%
          HB    ILE   56 - HD3   PRO   52  10.67 +/- 1.29   3.973% *  0.0426% (0.25   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HD3   PRO   52  16.72 +/- 2.37   1.304% *  0.1106% (0.65   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HD3   PRO   52  24.33 +/- 4.12   0.689% *  0.1676% (0.98   1.0   0.02   0.02) =   0.002%
          HB    ILE  103 - HD3   PRO   52  23.77 +/- 3.78   0.675% *  0.1650% (0.97   1.0   0.02   0.02) =   0.002%
          HG    LEU  123 - HD3   PRO   52  21.28 +/- 3.55   0.610% *  0.0968% (0.57   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   PRO   52  25.91 +/- 3.79   0.366% *  0.1428% (0.84   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD3   PRO   52  22.92 +/- 3.44   0.586% *  0.0528% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  22.53 +/- 3.75   0.702% *  0.0338% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  30.59 +/- 4.52   0.259% *  0.0264% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 6.07, residual support = 55.4:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.01  97.370% * 99.2990% (0.61   6.07  55.41) =  99.994%  kept
          HN    LEU   80 - HD3   PRO   52  17.89 +/- 4.64   1.686% *  0.2023% (0.38   0.02   0.02) =   0.004%
          HN    THR   26 - HD3   PRO   52  25.26 +/- 5.23   0.593% *  0.3488% (0.65   0.02   0.02) =   0.002%
          HN    ALA   34 - HD3   PRO   52  27.42 +/- 4.14   0.351% *  0.1499% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2643 (9.58, 3.84, 51.93 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.54, residual support = 13.5:
          HN    GLY   51 - HD3   PRO   52   3.06 +/- 0.99  98.455% * 99.4718% (0.92   3.54  13.52) =  99.992%  kept
          HN    VAL  107 - HD3   PRO   52  16.46 +/- 2.07   1.545% *  0.5282% (0.87   0.02   0.02) =   0.008%
    Distance limit 4.08 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.613, support = 1.67, residual support = 1.82:
          HN    ARG+  54 - HD2   PRO   52   4.45 +/- 0.25  66.623% * 83.3377% (0.61   1.77   1.92) =  93.676%  kept
          HN    PHE   55 - HD2   PRO   52   5.99 +/- 0.31  28.322% * 13.0302% (0.73   0.23   0.37) =   6.226%  kept
          HN    ASP-  62 - HD2   PRO   52  14.18 +/- 2.08   2.706% *  1.4356% (0.92   0.02   0.02) =   0.066%
          HN    LEU   31 - HD2   PRO   52  24.46 +/- 4.10   0.923% *  1.5009% (0.97   0.02   0.02) =   0.023%
          HN    ALA   88 - HD2   PRO   52  18.77 +/- 2.62   1.077% *  0.3878% (0.25   0.02   0.02) =   0.007%
          HN    LYS+  38 - HD2   PRO   52  29.01 +/- 3.79   0.349% *  0.3078% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.70 A violated in 0 structures by 0.62 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.19, residual support = 55.4:
          HN    CYS   53 - HD2   PRO   52   2.28 +/- 0.03  99.327% * 99.4794% (0.61   8.19  55.41) =  99.999%  kept
          HN    LEU   80 - HD2   PRO   52  17.06 +/- 4.33   0.421% *  0.1503% (0.38   0.02   0.02) =   0.001%
          HN    THR   26 - HD2   PRO   52  24.23 +/- 4.73   0.148% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  26.30 +/- 3.74   0.104% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.922, support = 1.5, residual support = 8.11:
          QB    CYS   50 - HB3   CYS   53   3.69 +/- 0.69  87.992% * 96.8458% (0.92   1.50   8.12) =  99.869%  kept
          QE    LYS+  74 - HB3   CYS   53  12.33 +/- 3.30   5.182% *  1.3241% (0.95   0.02   0.02) =   0.080%
          HB3   ASP-  78 - HB3   CYS   53  15.49 +/- 4.83   3.867% *  0.7925% (0.57   0.02   0.02) =   0.036%
          HB3   ASN   69 - HB3   CYS   53  20.50 +/- 3.71   0.896% *  0.7925% (0.57   0.02   0.02) =   0.008%
          HB2   PHE   72 - HB3   CYS   53  15.47 +/- 2.43   2.062% *  0.2451% (0.18   0.02   0.02) =   0.006%
    Distance limit 4.12 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.12:
        T QB    CYS   50 - HB2   CYS   53   3.14 +/- 0.84  92.633% * 99.6254% (0.92 10.00   1.50   8.12) =  99.993%  kept
          QE    LYS+  74 - HB2   CYS   53  12.62 +/- 2.90   2.720% *  0.1291% (0.90  1.00   0.02   0.02) =   0.004%
          HB2   PHE   72 - HB2   CYS   53  15.94 +/- 2.49   1.567% *  0.0815% (0.57  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HB2   CYS   53  20.90 +/- 3.82   0.767% *  0.1389% (0.97  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   CYS   53  15.57 +/- 4.92   2.313% *  0.0252% (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 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.932, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   4.06 +/- 1.59  72.643% * 41.1882% (0.95 10.00   0.02   0.02) =  95.565%  kept
        T HG13  ILE   19 - HA    CYS   53  20.50 +/- 3.11   1.632% * 24.6510% (0.57 10.00   0.02   0.02) =   1.285%  kept
          QB    ALA   91 - HA    CYS   53  10.77 +/- 3.34  10.248% *  3.9049% (0.90  1.00   0.02   0.02) =   1.278%  kept
        T HG    LEU   71 - HA    CYS   53  20.88 +/- 3.25   1.864% * 13.4389% (0.31 10.00   0.02   0.02) =   0.800%  kept
          QG2   THR   39 - HA    CYS   53  19.39 +/- 2.73   2.360% *  3.9049% (0.90  1.00   0.02   0.02) =   0.294%  kept
          QB    ALA   34 - HA    CYS   53  19.05 +/- 2.34   2.488% *  3.4865% (0.80  1.00   0.02   0.02) =   0.277%  kept
          HG2   LYS+  74 - HA    CYS   53  14.83 +/- 3.10   5.056% *  1.4852% (0.34  1.00   0.02   0.02) =   0.240%  kept
          QG2   THR   23 - HA    CYS   53  18.66 +/- 3.49   2.349% *  1.9521% (0.45  1.00   0.02   0.02) =   0.146%  kept
          HG3   LYS+  38 - HA    CYS   53  28.18 +/- 3.56   0.500% *  4.3541% (1.00  1.00   0.02   0.02) =   0.070%
          HG3   LYS+  99 - HA    CYS   53  23.80 +/- 2.70   0.859% *  1.6341% (0.38  1.00   0.02   0.02) =   0.045%
    Distance limit 3.32 A violated in 7 structures by 1.14 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 = 44.3:
      O   HN    CYS   53 - HA    CYS   53   2.74 +/- 0.05  98.904% * 99.7861% (0.61  10.0   4.77  44.34) =  99.999%  kept
          HN    LEU   80 - HA    CYS   53  17.39 +/- 3.25   0.573% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  22.90 +/- 3.97   0.297% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  24.20 +/- 3.00   0.226% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.9, residual support = 44.3:
      O   HN    CYS   53 - HB2   CYS   53   2.62 +/- 0.36  98.541% * 99.7861% (0.61  10.0   4.90  44.34) =  99.999%  kept
          HN    LEU   80 - HB2   CYS   53  16.52 +/- 3.92   0.978% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HB2   CYS   53  22.41 +/- 3.74   0.264% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.27 +/- 3.31   0.216% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.957, support = 5.48, residual support = 31.3:
          HN    ARG+  54 - HB2   CYS   53   3.16 +/- 0.32  75.767% * 94.2175% (0.97   5.54  31.75) =  98.717%  kept
          HN    PHE   55 - HB2   CYS   53   5.13 +/- 0.23  18.421% *  4.9332% (0.31   0.91   0.02) =   1.257%  kept
          HN    ASP-  62 - HB2   CYS   53  11.11 +/- 2.31   4.749% *  0.3335% (0.95   0.02   0.02) =   0.022%
          HN    LEU   31 - HB2   CYS   53  22.47 +/- 3.60   0.895% *  0.3162% (0.90   0.02   0.02) =   0.004%
          HN    LYS+  38 - HB2   CYS   53  27.02 +/- 3.42   0.169% *  0.1996% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.54, residual support = 31.7:
          HN    ARG+  54 - HB3   CYS   53   3.94 +/- 0.39  89.216% * 99.1990% (0.87   5.54  31.75) =  99.973%  kept
          HN    ASP-  62 - HB3   CYS   53  10.78 +/- 2.60   8.077% *  0.2173% (0.53   0.02   0.02) =   0.020%
          HN    LEU   31 - HB3   CYS   53  22.07 +/- 3.43   2.267% *  0.1852% (0.45   0.02   0.02) =   0.005%
          HN    LYS+  38 - HB3   CYS   53  26.52 +/- 3.13   0.440% *  0.3986% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 4.9, residual support = 169.8:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.94 +/- 0.14  72.467% * 99.0250% (0.87  10.0 10.00   4.91 170.28) =  99.691%  kept
          QB    ALA   57 - HD2   ARG+  54   6.68 +/- 2.61  26.182% *  0.8472% (0.20   1.0  1.00   0.75   0.02) =   0.308%  kept
          HD3   LYS+ 111 - HD2   ARG+  54  17.37 +/- 3.76   0.911% *  0.0254% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  20.20 +/- 2.96   0.279% *  0.0512% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  25.71 +/- 3.28   0.160% *  0.0512% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.62, residual support = 169.8:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  94.603% * 80.9669% (0.87  10.0 10.00   3.62 170.28) =  99.663%  kept
          QB    PHE   55 - HD3   ARG+  54   6.54 +/- 0.65   2.009% *  6.7920% (0.49   1.0  1.00   2.99   4.27) =   0.178%  kept
          HB3   CYS   53 - HD3   ARG+  54   8.23 +/- 0.75   1.001% * 12.1083% (0.80   1.0  1.00   3.24  31.75) =   0.158%  kept
          HD3   PRO   93 - HD3   ARG+  54  13.48 +/- 4.09   1.342% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HD3   ARG+  54  20.15 +/- 5.55   0.668% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  11.90 +/- 1.73   0.378% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.62, residual support = 170.3:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00  99.858% * 99.9131% (1.00  10.0 10.00   3.62 170.28) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  23.00 +/- 5.87   0.142% *  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 = 170.3:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.68 +/- 0.21  75.632% * 99.8484% (0.87  10.0 10.00   3.74 170.28) =  99.992%  kept
          QB    ALA   57 - HD3   ARG+  54   6.78 +/- 2.43  22.825% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.007%
          HD3   LYS+ 111 - HD3   ARG+  54  18.27 +/- 4.07   1.204% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  20.55 +/- 3.21   0.232% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  25.44 +/- 3.27   0.107% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.486, support = 3.89, residual support = 170.2:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.59 +/- 0.34  78.260% * 97.6350% (0.49  10.0 10.00   3.89 170.28) =  99.942%  kept
        T HG3   PRO   68 - HD3   ARG+  54  21.98 +/- 6.16   2.378% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.026%
          HB2   MET   92 - HD3   ARG+  54  15.13 +/- 4.59  13.992% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.022%
          HB    ILE   56 - HD3   ARG+  54   9.89 +/- 0.90   1.716% *  0.1988% (0.99   1.0  1.00   0.02   0.11) =   0.004%
          QB    LYS+ 106 - HD3   ARG+  54  18.92 +/- 3.57   0.731% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - HD3   ARG+  54  12.28 +/- 2.59   1.328% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   ARG+  54  20.92 +/- 3.96   0.333% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD3   ARG+  54  20.17 +/- 4.16   0.283% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HD3   ARG+  54  24.28 +/- 3.78   0.269% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   ARG+  54  25.85 +/- 3.72   0.196% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  21.74 +/- 3.78   0.239% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  30.48 +/- 5.42   0.102% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  25.99 +/- 4.36   0.174% *  0.0899% (0.45   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 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.04, residual support = 170.3:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.44 +/- 0.47  87.460% * 99.0727% (0.73  10.0   4.05 170.28) =  99.989%  kept
          HB3   PRO   68 - HD3   ARG+  54  22.55 +/- 6.03   3.041% *  0.0883% (0.65   1.0   0.02   0.02) =   0.003%
          HB2   PRO   93 - HD3   ARG+  54  12.89 +/- 2.82   3.850% *  0.0561% (0.41   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HD3   ARG+  54  16.11 +/- 2.01   1.043% *  0.1317% (0.97   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HD3   ARG+  54  20.38 +/- 3.35   0.662% *  0.1092% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HD3   ARG+  54  16.93 +/- 3.00   1.289% *  0.0465% (0.34   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HD3   ARG+  54  24.19 +/- 3.48   0.363% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   ARG+  54  24.37 +/- 3.43   0.340% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HD3   ARG+  54  27.30 +/- 6.05   0.983% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  31.37 +/- 4.42   0.147% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  24.04 +/- 4.58   0.490% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  25.56 +/- 4.04   0.333% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 170.3:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  93.619% * 97.1361% (0.92  10.0 10.00   4.97 170.28) =  99.994%  kept
        T HG3   PRO   68 - HG3   ARG+  54  22.28 +/- 5.38   0.292% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          HB2   MET   92 - HG3   ARG+  54  14.30 +/- 4.90   3.003% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG3   ARG+  54   8.94 +/- 0.93   0.805% *  0.0681% (0.65   1.0  1.00   0.02   0.11) =   0.001%
        T QB    LYS+  33 - HG3   ARG+  54  25.55 +/- 3.61   0.047% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HG3   ARG+  54   8.06 +/- 1.41   1.468% *  0.0208% (0.20   1.0  1.00   0.02   1.92) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  18.49 +/- 3.58   0.140% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.49 +/- 3.97   0.145% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  18.27 +/- 3.05   0.138% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  19.99 +/- 4.26   0.129% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  21.23 +/- 3.35   0.075% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  25.38 +/- 3.71   0.042% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  23.78 +/- 3.71   0.070% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  30.26 +/- 5.17   0.026% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.13, residual support = 170.3:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.62 +/- 0.27  94.058% * 97.7423% (0.31  10.0   5.13 170.28) =  99.988%  kept
          HB    ILE  119 - HG3   ARG+  54  15.50 +/- 2.58   1.114% *  0.1921% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HG3   ARG+  54  26.68 +/- 6.06   1.254% *  0.1541% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HG3   ARG+  54  22.89 +/- 5.26   0.597% *  0.3104% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HG3   ARG+  54  16.21 +/- 2.97   0.716% *  0.2420% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   GLN   30 - HG3   ARG+  54  23.72 +/- 3.49   0.258% *  0.2840% (0.90   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG3   ARG+  54  15.44 +/- 2.00   0.791% *  0.0627% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   ARG+  54  23.85 +/- 3.38   0.246% *  0.1921% (0.61   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HG3   ARG+  54  19.51 +/- 3.17   0.349% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  23.86 +/- 3.81   0.177% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  25.47 +/- 3.41   0.136% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  31.01 +/- 3.81   0.074% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  21.64 +/- 3.16   0.230% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.3:
      O   HA    ARG+  54 - HG3   ARG+  54   3.27 +/- 0.57  93.391% * 99.5710% (1.00  10.0   5.75 170.28) =  99.996%  kept
          HA    ASN   28 - HG3   ARG+  54  25.24 +/- 4.91   2.199% *  0.0644% (0.65   1.0   0.02   0.02) =   0.002%
          HA    LEU  115 - HG3   ARG+  54  15.26 +/- 2.06   1.295% *  0.0604% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HG3   ARG+  54  20.38 +/- 4.11   1.189% *  0.0644% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   ARG+  54  24.01 +/- 3.74   0.327% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  17.43 +/- 2.72   0.960% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  27.11 +/- 3.74   0.294% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  32.81 +/- 4.14   0.159% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  29.69 +/- 3.96   0.187% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 170.3:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.68 +/- 0.21  99.005% * 99.9462% (0.76  10.0 10.00   3.74 170.28) =  99.999%  kept
          HB3   HIS   22 - HG3   ARG+  54  21.89 +/- 6.12   0.995% *  0.0538% (0.41   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 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.858, support = 4.88, residual support = 164.4:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.94 +/- 0.14  65.814% * 76.9973% (0.87  10.0 10.00   4.91 170.28) =  96.199%  kept
          QB    PHE   55 - HG3   ARG+  54   5.76 +/- 0.97  14.645% *  8.0974% (0.49   1.0  1.00   3.75   4.27) =   2.251%  kept
          HB3   CYS   53 - HG3   ARG+  54   7.16 +/- 0.89   5.475% * 14.7791% (0.80   1.0  1.00   4.16  31.75) =   1.536%  kept
          HD3   PRO   93 - HG3   ARG+  54  12.70 +/- 4.47  11.866% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.012%
          HB2   PHE   59 - HG3   ARG+  54  11.15 +/- 1.97   1.553% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   ARG+  54  20.37 +/- 4.90   0.647% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.68, residual support = 170.3:
          HN    ARG+  54 - HG3   ARG+  54   3.74 +/- 0.73  94.633% * 99.3348% (0.87   6.68 170.28) =  99.990%  kept
          HN    ASP-  62 - HG3   ARG+  54  12.93 +/- 2.39   4.167% *  0.1805% (0.53   0.02   0.02) =   0.008%
          HN    LEU   31 - HG3   ARG+  54  25.39 +/- 4.10   0.925% *  0.1538% (0.45   0.02   0.02) =   0.002%
          HN    LYS+  38 - HG3   ARG+  54  29.80 +/- 4.41   0.275% *  0.3310% (0.97   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 170.3:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  88.944% * 98.1061% (0.87  10.0 10.00   4.97 170.28) =  99.994%  kept
          QB    ALA   57 - HG2   ARG+  54   6.16 +/- 2.12   9.014% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  123 - HG3   PRO   68  18.53 +/- 7.41   0.708% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   ARG+  54 - HG3   PRO   68  22.28 +/- 5.38   0.279% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   PRO   68  15.84 +/- 3.42   0.539% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  123 - HG2   ARG+  54  19.66 +/- 3.39   0.094% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   ARG+  54  17.27 +/- 3.45   0.178% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   ARG+  54  24.77 +/- 2.96   0.040% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  27.84 +/- 5.08   0.043% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  15.82 +/- 1.94   0.162% *  0.0060% (0.05   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 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.158, support = 3.27, residual support = 36.1:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  72.448% * 33.8555% (0.12  10.0  1.00   2.31  36.08) =  62.900%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.68 +/- 0.31  22.929% * 63.0750% (0.22  10.0  1.00   4.89  36.08) =  37.088%  kept
          HG2   PRO   68 - HG2   ARG+  54  21.50 +/- 5.24   0.614% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG3   PRO   68  13.66 +/- 5.21   0.957% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - HG3   PRO   68  12.93 +/- 4.33   0.739% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG2   ARG+  54  22.36 +/- 5.08   0.224% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG2   ARG+  54  15.87 +/- 2.59   0.136% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG2   ARG+  54  26.45 +/- 5.53   0.118% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   30 - HG2   ARG+  54  23.46 +/- 3.11   0.044% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   ARG+  54  15.01 +/- 1.68   0.134% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG2   ARG+  54  23.50 +/- 4.04   0.048% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  20.26 +/- 6.35   0.572% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  25.17 +/- 3.51   0.034% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  14.92 +/- 2.15   0.157% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  21.28 +/- 3.02   0.054% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  24.05 +/- 5.32   0.112% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  23.35 +/- 3.17   0.044% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  15.57 +/- 2.24   0.124% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  25.38 +/- 5.25   0.063% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  16.58 +/- 2.76   0.117% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  21.15 +/- 4.22   0.082% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  18.50 +/- 4.77   0.131% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  16.90 +/- 2.47   0.103% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  30.43 +/- 3.69   0.016% *  0.0706% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2670 (3.35, 1.86, 27.63 ppm):
    12 chemical-shift based assignments, quality = 0.754, support = 4.84, residual support = 145.8:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.71 +/- 0.21  37.428% * 68.3258% (0.87  10.0 10.00   4.88 170.28) =  82.191%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.69 +/- 0.29  38.591% * 11.8999% (0.15  10.0  1.00   4.83  36.08) =  14.759%  kept
          QB    PHE   55 - HG2   ARG+  54   5.61 +/- 1.25   7.652% *  6.8523% (0.49   1.0  1.00   3.57   4.27) =   1.685%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.49 +/- 0.72   3.323% * 12.5825% (0.80   1.0  1.00   3.99  31.75) =   1.344%  kept
          HD3   PRO   93 - HG2   ARG+  54  12.39 +/- 4.17   8.850% *  0.0478% (0.61   1.0  1.00   0.02   0.02) =   0.014%
        T HD2   ARG+  54 - HG3   PRO   68  22.10 +/- 5.54   0.797% *  0.1823% (0.23   1.0 10.00   0.02   0.02) =   0.005%
          HD3   PRO   68 - HG2   ARG+  54  19.81 +/- 4.77   1.006% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   ARG+  54  10.60 +/- 1.69   0.920% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG3   PRO   68  22.46 +/- 4.87   0.758% *  0.0127% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  20.50 +/- 2.92   0.204% *  0.0168% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  19.18 +/- 3.46   0.245% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.56 +/- 2.37   0.228% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 170.3:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.59 +/- 0.34  97.097% * 99.7339% (0.31  10.0 10.00   3.89 170.28) =  99.992%  kept
        T HD3   ARG+  54 - HG3   PRO   68  21.98 +/- 6.16   2.903% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.008%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 170.3:
      O T HA    ARG+  54 - HG2   ARG+  54   2.70 +/- 0.61  85.645% * 97.8074% (1.00  10.0 10.00   5.69 170.28) =  99.982%  kept
        T HA    LEU  115 - HG2   ARG+  54  14.71 +/- 1.74   0.991% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.007%
        T HA    LYS+  81 - HG2   ARG+  54  20.04 +/- 4.02   0.438% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ARG+  54 - HG3   PRO   68  20.41 +/- 4.15   0.858% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LEU  115 - HG3   PRO   68  19.75 +/- 4.30   0.751% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG2   ARG+  54  24.87 +/- 4.74   1.672% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   PRO   68  19.84 +/- 8.94   3.164% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG3   PRO   68  25.06 +/- 3.28   0.263% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG2   ARG+  54  23.40 +/- 3.48   0.227% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  19.65 +/- 4.74   1.043% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  15.49 +/- 2.66   1.252% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  16.94 +/- 2.36   0.748% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.39 +/- 3.59   0.796% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  20.99 +/- 5.21   1.372% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  26.66 +/- 3.47   0.202% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  32.38 +/- 3.84   0.106% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  29.13 +/- 3.78   0.112% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  23.50 +/- 4.78   0.358% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.6, residual support = 170.3:
          HN    ARG+  54 - HG2   ARG+  54   3.44 +/- 0.49  89.219% * 99.0698% (0.87   6.60 170.28) =  99.986%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.30 +/- 2.32   3.961% *  0.1820% (0.53   0.02   0.02) =   0.008%
          HN    LYS+  38 - HG3   PRO   68  16.44 +/- 2.63   1.694% *  0.0891% (0.26   0.02   0.02) =   0.002%
          HN    ASP-  62 - HG3   PRO   68  12.95 +/- 1.37   2.230% *  0.0486% (0.14   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG3   PRO   68  21.49 +/- 3.85   1.072% *  0.0801% (0.23   0.02   0.02) =   0.001%
          HN    LYS+  38 - HG2   ARG+  54  29.37 +/- 4.11   0.176% *  0.3339% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG2   ARG+  54  24.99 +/- 3.90   0.351% *  0.1551% (0.45   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   PRO   68  18.03 +/- 3.36   1.296% *  0.0414% (0.12   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.921, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   6.16 +/- 1.63  57.952% * 19.4000% (0.97   0.02   0.02) =  70.366%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  16.77 +/- 3.94  11.727% * 19.7041% (0.98   0.02   0.02) =  14.462%  kept
          HB3   LEU  123 - HB3   ARG+  54  19.64 +/- 2.93   3.839% * 19.4000% (0.97   0.02   0.02) =   4.662%  kept
          HD2   LYS+  74 - HB3   ARG+  54  17.21 +/- 2.92   4.488% * 14.5972% (0.73   0.02   0.02) =   4.100%  kept
          QD    LYS+  65 - HB3   ARG+  54  14.39 +/- 2.51  14.206% *  3.5205% (0.18   0.02   0.02) =   3.130%  kept
          QD    LYS+  33 - HB3   ARG+  54  24.72 +/- 3.35   1.388% * 19.4000% (0.97   0.02   0.02) =   1.685%  kept
          HB2   LYS+ 121 - HB3   ARG+  54  19.14 +/- 2.72   6.400% *  3.9782% (0.20   0.02   0.02) =   1.594%  kept
    Distance limit 3.11 A violated in 17 structures by 2.85 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.37, residual support = 170.3:
      O   HN    ARG+  54 - HB3   ARG+  54   3.01 +/- 0.59  96.064% * 99.7769% (0.87  10.0   5.37 170.28) =  99.998%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.48 +/- 1.71   2.521% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HN    LEU   31 - HB3   ARG+  54  24.99 +/- 4.34   1.191% *  0.0516% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB3   ARG+  54  29.20 +/- 4.41   0.224% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.6, residual support = 170.3:
      O   HN    ARG+  54 - HB2   ARG+  54   2.47 +/- 0.46  93.596% * 99.6984% (0.87  10.0   6.60 170.28) =  99.998%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.82 +/- 1.55   1.210% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   GLU-  14  14.73 +/- 3.24   2.146% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  25.07 +/- 4.33   0.380% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  29.30 +/- 4.40   0.085% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  14.86 +/- 3.11   0.980% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  21.26 +/- 4.85   0.623% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  19.37 +/- 3.09   0.310% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  27.89 +/- 3.49   0.101% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  34.60 +/- 5.60   0.130% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  27.05 +/- 4.16   0.213% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  21.86 +/- 4.19   0.227% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.248, support = 1.46, residual support = 29.0:
          QE    PHE   59 - HA    LEU  115   3.43 +/- 0.50  65.660% * 69.1218% (0.25   1.50  29.62) =  97.162%  kept
          QD    PHE   60 - HA    LEU  115  10.77 +/- 1.65   3.949% * 10.5514% (0.17   0.32   0.02) =   0.892%  kept
          HN    PHE   59 - HA    LEU  115   8.52 +/- 1.17   5.215% *  7.6619% (0.13   0.32  29.62) =   0.855%  kept
          QD    PHE   60 - HA    ARG+  54   7.66 +/- 1.74  11.647% *  2.1177% (0.57   0.02   0.02) =   0.528%  kept
          HN    PHE   59 - HA    ARG+  54   8.10 +/- 0.72   6.442% *  1.5378% (0.41   0.02   0.02) =   0.212%  kept
          QE    PHE   59 - HA    ARG+  54  10.35 +/- 1.48   2.963% *  2.9951% (0.80   0.02   0.02) =   0.190%  kept
          HN    LYS+  66 - HA    ARG+  54  14.74 +/- 2.62   1.295% *  3.6664% (0.98   0.02   0.02) =   0.102%  kept
          HN    LYS+  66 - HA    LEU  115  15.16 +/- 2.68   1.574% *  1.1282% (0.30   0.02   0.02) =   0.038%
          HN    LYS+  81 - HA    ARG+  54  20.48 +/- 3.97   0.956% *  0.9327% (0.25   0.02   0.02) =   0.019%
          HN    LYS+  81 - HA    LEU  115  21.46 +/- 2.23   0.300% *  0.2870% (0.08   0.02   0.02) =   0.002%
    Distance limit 3.85 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 = 0.88, support = 6.15, residual support = 148.7:
      O   HN    ARG+  54 - HA    ARG+  54   2.74 +/- 0.06  64.290% * 75.5578% (0.97  10.0   6.57 170.28) =  86.996%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.54 +/- 0.05  30.039% * 24.1648% (0.31  10.0   3.32   4.27) =  13.000%  kept
          HN    ASP-  62 - HA    ARG+  54  10.53 +/- 1.85   2.067% *  0.0741% (0.95   1.0   0.02   0.02) =   0.003%
          HN    LEU   31 - HA    ARG+  54  23.46 +/- 4.18   0.526% *  0.0702% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU  115  11.10 +/- 1.17   1.140% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.20 +/- 1.45   0.673% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.85 +/- 1.35   0.924% *  0.0074% (0.09   1.0   0.02   4.96) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  27.72 +/- 4.12   0.088% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.36 +/- 3.21   0.156% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  25.31 +/- 3.16   0.099% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.565, support = 4.31, residual support = 22.0:
          HN    ILE   56 - QB    PHE   55   3.08 +/- 0.36  84.144% * 95.6011% (0.57   4.32  22.07) =  99.817%  kept
          QE    PHE   60 - QB    PHE   55   9.60 +/- 2.09   5.090% *  2.1045% (0.25   0.22   0.02) =   0.133%  kept
          HD21  ASN   28 - QB    PHE   55  21.98 +/- 4.47   1.848% *  0.7551% (0.97   0.02   0.02) =   0.017%
          HN    LEU   63 - QB    PHE   55  11.18 +/- 1.55   2.505% *  0.5374% (0.69   0.02   0.02) =   0.017%
          HN    LYS+ 111 - QB    PHE   55  10.17 +/- 3.39   5.427% *  0.1742% (0.22   0.02   0.02) =   0.012%
          HZ2   TRP   87 - QB    PHE   55  19.68 +/- 1.95   0.400% *  0.6535% (0.84   0.02   0.02) =   0.003%
          HN    ALA   84 - QB    PHE   55  18.49 +/- 2.72   0.587% *  0.1742% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 3.04, residual support = 20.7:
      O   HN    PHE   55 - QB    PHE   55   2.02 +/- 0.10  89.315% * 87.1650% (0.73  10.0   3.03  21.00) =  98.457%  kept
          HN    ARG+  54 - QB    PHE   55   4.27 +/- 0.20   9.708% * 12.5546% (0.61   1.0   3.45   4.27) =   1.541%  kept
          HN    ASP-  62 - QB    PHE   55  10.65 +/- 0.78   0.666% *  0.1108% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    PHE   55  22.34 +/- 3.12   0.125% *  0.1158% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  19.01 +/- 2.43   0.134% *  0.0299% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  25.72 +/- 2.43   0.051% *  0.0238% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.851, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.19 +/- 1.82  66.395% * 36.5548% (0.90   0.02   0.02) =  78.768%  kept
          HN    LYS+  81 - QB    PHE   55  19.43 +/- 3.41   8.274% * 40.3993% (0.99   0.02   0.02) =  10.848%  kept
          HN    LYS+  66 - QB    PHE   55  14.56 +/- 1.87  15.348% * 16.7569% (0.41   0.02   0.02) =   8.347%  kept
          HE3   TRP   27 - QB    PHE   55  18.90 +/- 2.90   9.984% *  6.2891% (0.15   0.02   0.02) =   2.038%  kept
    Distance limit 3.27 A violated in 19 structures by 4.78 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.251, support = 5.92, residual support = 124.2:
      O   HN    ILE   56 - HB    ILE   56   3.36 +/- 0.58  82.099% * 91.3813% (0.25  10.0   5.96 125.03) =  99.350%  kept
          QE    PHE   60 - HB    ILE   56   8.80 +/- 0.95   6.011% *  7.7805% (0.57   1.0   0.75   3.84) =   0.619%  kept
          HD21  ASN   28 - HB    ILE   56  21.68 +/- 4.13   3.091% *  0.3467% (0.95   1.0   0.02   0.02) =   0.014%
          HN    LEU   63 - HB    ILE   56   8.60 +/- 1.54   8.314% *  0.1250% (0.34   1.0   0.02   0.02) =   0.014%
          HZ2   TRP   87 - HB    ILE   56  19.38 +/- 2.20   0.486% *  0.3665% (1.00   1.0   0.02   0.02) =   0.002%
    Distance limit 3.24 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.532, support = 2.15, residual support = 15.8:
          QD    PHE   55 - HB    ILE   56   4.89 +/- 0.86  51.753% * 61.4403% (0.41   2.72  22.07) =  71.220%  kept
          QE    PHE   95 - HB    ILE   56   6.42 +/- 2.17  37.105% * 34.3946% (0.84   0.75   0.42) =  28.585%  kept
          HN    LEU   67 - HB    ILE   56  13.90 +/- 1.86   2.686% *  1.0884% (0.99   0.02   0.02) =   0.065%
          HD1   TRP   49 - HB    ILE   56  14.03 +/- 1.92   2.535% *  0.8392% (0.76   0.02   0.02) =   0.048%
          HN    THR   23 - HB    ILE   56  19.63 +/- 3.72   1.483% *  0.9525% (0.87   0.02   0.02) =   0.032%
          HD2   HIS   22 - HB    ILE   56  19.84 +/- 5.19   2.116% *  0.6660% (0.61   0.02   0.02) =   0.032%
          HE3   TRP   27 - HB    ILE   56  17.82 +/- 2.89   1.936% *  0.3746% (0.34   0.02   0.02) =   0.016%
          HD21  ASN   35 - HB    ILE   56  26.75 +/- 2.97   0.386% *  0.2445% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.23 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.66, residual support = 125.0:
      O T QD1   ILE   56 - HB    ILE   56   2.75 +/- 0.41  90.835% * 99.4902% (0.87  10.0 10.00   4.66 125.03) =  99.978%  kept
        T QD2   LEU  123 - HB    ILE   56   9.82 +/- 2.95   5.976% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.019%
          QD2   LEU   73 - HB    ILE   56  13.01 +/- 2.60   1.696% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB    ILE   56  14.30 +/- 1.93   0.969% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    ILE   56  20.49 +/- 2.90   0.525% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.12, residual support = 125.0:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  95.008% * 98.2187% (0.87  10.0 10.00   4.12 125.03) =  99.975%  kept
        T QD2   LEU   73 - QG1   ILE   56  10.95 +/- 2.46   2.693% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.020%
        T HG3   LYS+ 121 - QG1   ILE   56  12.59 +/- 1.03   0.373% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - QG1   ILE   56   9.01 +/- 2.12   1.648% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  17.29 +/- 2.86   0.277% *  0.0508% (0.45   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 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 5.18, residual support = 125.0:
        T QG2   ILE   56 - QD1   ILE   56   2.67 +/- 0.58  90.192% * 98.5057% (0.72 10.00   5.18 125.03) =  99.987%  kept
        T QB    ALA   34 - QD1   ILE   56  15.10 +/- 1.53   0.664% *  1.1899% (0.87 10.00   0.02   0.02) =   0.009%
          QB    ALA   91 - QD1   ILE   56   9.91 +/- 2.25   3.337% *  0.0398% (0.29  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QD1   ILE   56  15.28 +/- 3.25   0.973% *  0.1263% (0.93  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD1   ILE   56   9.62 +/- 2.54   3.952% *  0.0255% (0.19  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD1   ILE   56  15.33 +/- 2.17   0.654% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  22.29 +/- 2.68   0.227% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.865, support = 1.5, residual support = 1.15:
          QB    ALA   61 - QD1   ILE   56   6.76 +/- 0.89  19.069% * 55.9703% (0.94  1.00   1.76   1.60) =  63.010%  kept
          QB    ALA  110 - QD1   ILE   56   8.20 +/- 3.31  14.566% * 34.5350% (0.85  1.00   1.21   0.46) =  29.698%  kept
          HB3   LEU  115 - QD1   ILE   56   5.89 +/- 2.03  24.659% *  3.9602% (0.21  1.00   0.56   0.10) =   5.765%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  12.04 +/- 1.75   6.874% *  1.7735% (0.26 10.00   0.02   0.02) =   0.720%  kept
          QG    LYS+  66 - QD1   ILE   56  10.04 +/- 1.81   7.145% *  0.5533% (0.82  1.00   0.02   0.02) =   0.233%  kept
          HG12  ILE   19 - QD1   ILE   56  15.97 +/- 2.99   5.012% *  0.5328% (0.79  1.00   0.02   0.02) =   0.158%  kept
          HB3   LEU   67 - QD1   ILE   56  12.32 +/- 2.11   4.093% *  0.6252% (0.93  1.00   0.02   0.02) =   0.151%  kept
          HG    LEU   73 - QD1   ILE   56  13.69 +/- 2.95   2.836% *  0.4381% (0.65  1.00   0.02   0.02) =   0.073%
          HG    LEU   80 - QD1   ILE   56  16.76 +/- 3.38   1.595% *  0.5888% (0.87  1.00   0.02   0.02) =   0.055%
          HB2   LEU   80 - QD1   ILE   56  15.92 +/- 3.14   2.437% *  0.2622% (0.39  1.00   0.02   0.02) =   0.038%
          HB3   LYS+  74 - QD1   ILE   56  13.09 +/- 2.61   4.013% *  0.1591% (0.24  1.00   0.02   0.02) =   0.038%
          HG    LEU   67 - QD1   ILE   56  12.91 +/- 2.47   4.600% *  0.0984% (0.15  1.00   0.02   0.02) =   0.027%
          HG    LEU   40 - QD1   ILE   56  14.42 +/- 2.11   2.486% *  0.1420% (0.21  1.00   0.02   0.02) =   0.021%
          HG2   LYS+ 102 - QD1   ILE   56  20.49 +/- 1.92   0.615% *  0.3611% (0.54  1.00   0.02   0.02) =   0.013%
    Distance limit 3.20 A violated in 10 structures by 1.53 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 4.12, residual support = 125.0:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  94.705% * 98.9931% (0.85  10.0 10.00   4.12 125.03) =  99.994%  kept
        T HB2   LEU   73 - QD1   ILE   56  13.53 +/- 2.68   0.451% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   92 - QD1   ILE   56   9.29 +/- 3.13   2.499% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   ILE   56  12.05 +/- 2.04   0.539% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56  10.73 +/- 3.31   1.065% *  0.0341% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.11 +/- 2.19   0.195% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  13.08 +/- 2.30   0.403% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  17.39 +/- 2.02   0.142% *  0.0884% (0.76   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 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 4.63, residual support = 124.0:
      O T HB    ILE   56 - QD1   ILE   56   2.75 +/- 0.41  83.151% * 89.7722% (0.72  10.0 10.00   4.66 125.03) =  99.173%  kept
          HB3   PRO   58 - QD1   ILE   56   6.64 +/- 0.84   7.000% *  8.6868% (0.85   1.0  1.00   1.65   0.02) =   0.808%  kept
        T HB3   GLN   30 - QD1   ILE   56  16.86 +/- 2.37   0.632% *  1.1643% (0.94   1.0 10.00   0.02   0.02) =   0.010%
          HB2   MET   92 - QD1   ILE   56  10.36 +/- 3.09   4.253% *  0.1164% (0.94   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+ 106 - QD1   ILE   56  10.99 +/- 2.10   1.962% *  0.0401% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD1   ILE   56  15.69 +/- 2.45   1.113% *  0.0363% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QD1   ILE   56  14.94 +/- 2.79   1.079% *  0.0293% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  21.53 +/- 2.54   0.258% *  0.1053% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  18.42 +/- 2.18   0.414% *  0.0232% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  27.77 +/- 4.11   0.137% *  0.0262% (0.21   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 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.789, support = 1.43, residual support = 5.39:
        T HA    LYS+ 112 - QD1   ILE   56   5.99 +/- 2.96  44.727% * 99.8076% (0.79 10.00   1.43   5.39) =  99.918%  kept
          HB2   HIS  122 - QD1   ILE   56  10.06 +/- 2.04  19.950% *  0.0945% (0.54  1.00   0.02   0.02) =   0.042%
          HB    THR   46 - QD1   ILE   56   7.81 +/- 2.04  27.283% *  0.0515% (0.29  1.00   0.02   0.02) =   0.031%
          HB2   HIS   22 - QD1   ILE   56  17.09 +/- 4.91   8.040% *  0.0464% (0.26  1.00   0.02   0.02) =   0.008%
    Distance limit 3.23 A violated in 9 structures by 2.82 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.773, support = 3.61, residual support = 20.2:
          HA    PHE   55 - QD1   ILE   56   4.32 +/- 0.70  54.485% * 83.9821% (0.76   3.91  22.07) =  91.125%  kept
          HA    ALA  110 - QD1   ILE   56   9.55 +/- 4.50  29.329% * 15.0547% (0.94   0.57   0.46) =   8.793%  kept
          HA    GLN   90 - QD1   ILE   56  14.09 +/- 3.03   4.340% *  0.5081% (0.89   0.02   0.02) =   0.044%
          HA    VAL  107 - QD1   ILE   56  10.00 +/- 2.58   5.328% *  0.2016% (0.36   0.02   0.02) =   0.021%
          HA    ALA   91 - QD1   ILE   56  12.20 +/- 2.80   3.962% *  0.1339% (0.24   0.02   0.02) =   0.011%
          HA    VAL   42 - QD1   ILE   56  12.40 +/- 1.72   2.556% *  0.1196% (0.21   0.02   0.02) =   0.006%
    Distance limit 3.11 A violated in 1 structures by 0.77 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  10.00 +/- 1.44 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.41 A violated in 20 structures by 6.59 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.294, support = 1.49, residual support = 22.1:
          HN    PHE   59 - QD1   ILE   56   4.05 +/- 0.43  86.710% * 92.8326% (0.29   1.50  22.18) =  99.426%  kept
          HN    HIS  122 - QD1   ILE   56  10.20 +/- 1.54  11.757% *  3.4722% (0.82   0.02   0.02) =   0.504%  kept
          HH2   TRP   87 - QD1   ILE   56  16.34 +/- 2.14   1.533% *  3.6952% (0.87   0.02   0.02) =   0.070%
    Distance limit 3.50 A violated in 0 structures by 0.55 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.58, residual support = 31.4:
          HN    ALA   57 - QD1   ILE   56   3.62 +/- 0.88  77.469% * 98.3586% (0.42   4.59  31.47) =  99.881%  kept
          HE21  GLN  116 - QD1   ILE   56   8.23 +/- 2.38  20.372% *  0.3591% (0.36   0.02   0.02) =   0.096%
          HE21  GLN   90 - QD1   ILE   56  15.82 +/- 3.07   1.702% *  0.9233% (0.91   0.02   0.02) =   0.021%
          HD21  ASN   35 - QD1   ILE   56  22.34 +/- 2.82   0.457% *  0.3591% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 1 structures by 0.25 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.87, residual support = 119.4:
          HN    ILE   56 - QD1   ILE   56   2.78 +/- 0.96  76.171% * 65.7603% (0.24   6.09 125.03) =  95.359%  kept
          QE    PHE   60 - QD1   ILE   56   7.11 +/- 1.55   7.365% * 32.2583% (0.54   1.32   3.84) =   4.523%  kept
          HN    LEU   63 - QD1   ILE   56   7.28 +/- 1.66  13.985% *  0.2955% (0.32   0.02   0.02) =   0.079%
          HD21  ASN   28 - QD1   ILE   56  18.05 +/- 3.60   1.620% *  0.8195% (0.89   0.02   0.02) =   0.025%
          HZ2   TRP   87 - QD1   ILE   56  15.95 +/- 2.07   0.860% *  0.8663% (0.95   0.02   0.02) =   0.014%
    Distance limit 3.55 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 0.956, residual support = 5.32:
          HN    LYS+ 112 - QD1   ILE   56   7.48 +/- 3.26  54.167% * 95.4599% (0.50   0.97   5.39) =  98.720%  kept
          HN    ASP-  78 - QD1   ILE   56  13.65 +/- 2.83  17.553% *  2.4260% (0.61   0.02   0.02) =   0.813%  kept
          HN    VAL   75 - QD1   ILE   56  11.38 +/- 1.76  26.323% *  0.8349% (0.21   0.02   0.02) =   0.420%  kept
          HN    MET   11 - QD1   ILE   56  27.79 +/- 4.26   1.957% *  1.2792% (0.32   0.02   0.02) =   0.048%
    Distance limit 3.74 A violated in 12 structures by 2.93 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.376, support = 2.99, residual support = 22.1:
        T HB3   PHE   59 - QG1   ILE   56   2.68 +/- 0.53  86.150% * 98.7393% (0.38 10.00   3.00  22.18) =  99.795%  kept
          HB2   PHE   95 - QG1   ILE   56   7.69 +/- 2.41  13.850% *  1.2607% (0.57  1.00   0.17   0.42) =   0.205%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.379, support = 2.67, residual support = 22.0:
        T HB2   PHE   59 - QG1   ILE   56   2.72 +/- 0.91  56.030% * 70.1003% (0.34 10.00   2.48  22.18) =  86.319%  kept
          QB    PHE   55 - QG1   ILE   56   4.81 +/- 1.16  24.032% * 24.8075% (0.61  1.00   3.98  22.07) =  13.102%  kept
          HB3   CYS   53 - QG1   ILE   56   6.11 +/- 1.35  11.377% *  1.3191% (0.90  1.00   0.14   0.02) =   0.330%  kept
          HD2   ARG+  54 - QG1   ILE   56   8.58 +/- 1.25   3.024% *  3.4827% (0.95  1.00   0.36   0.11) =   0.231%  kept
          HD3   PRO   93 - QG1   ILE   56   9.15 +/- 3.36   4.947% *  0.1492% (0.73  1.00   0.02   0.02) =   0.016%
          HD3   PRO   68 - QG1   ILE   56  14.17 +/- 1.82   0.591% *  0.1412% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56   9.85 +/- 1.05 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.97 A violated in 20 structures by 5.88 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 2.88, residual support = 22.2:
          QD    PHE   59 - QG1   ILE   56   3.18 +/- 0.67  92.274% * 97.5383% (0.34   2.88  22.18) =  99.933%  kept
          HN    HIS  122 - QG1   ILE   56  10.18 +/- 1.32   3.651% *  0.8168% (0.41   0.02   0.02) =   0.033%
          HD1   TRP   27 - QG1   ILE   56  17.13 +/- 3.40   2.929% *  0.6777% (0.34   0.02   0.02) =   0.022%
          HH2   TRP   87 - QG1   ILE   56  16.72 +/- 2.29   1.146% *  0.9671% (0.49   0.02   0.02) =   0.012%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.25, support = 5.02, residual support = 124.8:
      O   HN    ILE   56 - HA    ILE   56   2.80 +/- 0.17  91.157% * 95.0117% (0.25  10.0   5.03 125.03) =  99.810%  kept
          QE    PHE   60 - HA    ILE   56   9.15 +/- 1.37   3.708% *  4.1169% (0.57   1.0   0.38   3.84) =   0.176%  kept
          HD21  ASN   28 - HA    ILE   56  22.53 +/- 4.58   1.943% *  0.3604% (0.95   1.0   0.02   0.02) =   0.008%
          HN    LEU   63 - HA    ILE   56   9.37 +/- 1.23   2.929% *  0.1300% (0.34   1.0   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HA    ILE   56  20.70 +/- 2.19   0.264% *  0.3810% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 3.42 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 = 5.07, residual support = 25.5:
        T HD2   PRO   58 - QB    ALA   57   2.55 +/- 0.46  82.348% * 98.8080% (0.95 10.00   5.07  25.50) =  99.988%  kept
          HB2   CYS   53 - QB    ALA   57   6.19 +/- 2.21  16.850% *  0.0356% (0.34  1.00   0.02   0.02) =   0.007%
        T HA    VAL   83 - QB    ALA   57  18.59 +/- 2.94   0.324% *  1.0238% (0.98 10.00   0.02   0.02) =   0.004%
          HA    GLU- 100 - QB    ALA   57  21.71 +/- 2.71   0.193% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  20.52 +/- 3.08   0.284% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.05 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   2.40 +/- 0.43  89.429% * 98.4865% (0.18  10.0   4.85  24.24) =  99.971%  kept
          HN    ALA  124 - QB    ALA   57  14.29 +/- 3.03   1.604% *  0.4697% (0.84   1.0   0.02   0.02) =   0.009%
          HN    ALA  120 - QB    ALA   57  11.32 +/- 1.94   2.099% *  0.3184% (0.57   1.0   0.02   0.02) =   0.008%
          HN    LEU  123 - QB    ALA   57  12.27 +/- 2.62   2.934% *  0.1918% (0.34   1.0   0.02   0.02) =   0.006%
          HE21  GLN  116 - QB    ALA   57  10.42 +/- 2.64   3.572% *  0.1252% (0.22   1.0   0.02   0.02) =   0.005%
          HE21  GLN   17 - QB    ALA   57  17.27 +/- 3.10   0.361% *  0.4084% (0.73   1.0   0.02   0.02) =   0.002%
    Distance limit 2.89 A violated in 0 structures by 0.04 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   2.75 +/- 0.18  95.946% * 99.6015% (0.57  10.0   4.46  24.24) =  99.995%  kept
          HE21  GLN  116 - HA    ALA   57  12.36 +/- 2.71   1.886% *  0.1138% (0.65   1.0   0.02   0.02) =   0.002%
          HN    ALA  120 - HA    ALA   57  13.12 +/- 1.51   1.063% *  0.1698% (0.97   1.0   0.02   0.02) =   0.002%
          HN    ALA  124 - HA    ALA   57  17.05 +/- 2.55   0.622% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  19.55 +/- 3.14   0.482% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.2:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.02  93.191% * 98.9094% (0.53  10.0 10.00   2.81  24.24) =  99.994%  kept
          QD    LYS+  65 - HA    ALA   57  10.69 +/- 2.02   0.976% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HA    ALA   57  13.37 +/- 3.70   0.938% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    ALA   57  11.18 +/- 4.17   2.876% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    ALA   57  14.38 +/- 1.96   0.396% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    ALA   57  19.17 +/- 3.83   0.256% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  17.42 +/- 2.59   0.216% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  15.21 +/- 2.58   0.384% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  22.15 +/- 3.94   0.125% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  14.73 +/- 2.21   0.379% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  19.99 +/- 3.33   0.170% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  22.51 +/- 2.48   0.093% *  0.0580% (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 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.596, support = 0.02, residual support = 0.02:
          HN    GLN   32 - HB2   PRO   58  22.94 +/- 4.15  10.950% * 37.3861% (1.00   0.02   0.02) =  30.470%  kept
          HN    CYS   53 - HB2   PRO   58  12.24 +/- 1.00  52.540% *  5.7685% (0.15   0.02   0.02) =  22.559%  kept
          HN    SER   85 - HB2   PRO   58  23.20 +/- 2.74   8.827% * 29.9364% (0.80   0.02   0.02) =  19.669%  kept
          HN    ALA   34 - HB2   PRO   58  22.08 +/- 3.85  12.366% * 15.3699% (0.41   0.02   0.02) =  14.147%  kept
          HN    LEU   80 - HB2   PRO   58  20.35 +/- 3.17  15.316% * 11.5391% (0.31   0.02   0.02) =  13.155%  kept
    Distance limit 3.98 A violated in 20 structures by 7.81 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.613, support = 6.14, residual support = 40.0:
      O   HN    PHE   59 - HB3   PRO   58   4.06 +/- 0.28  57.996% * 89.1496% (0.61  10.0   6.29  40.09) =  96.810%  kept
          QE    PHE   59 - HB3   PRO   58   7.13 +/- 1.23  15.983% * 10.1499% (0.83   1.0   1.67  40.09) =   3.038%  kept
          QD    PHE   60 - HB3   PRO   58   7.31 +/- 1.03  13.480% *  0.5634% (0.23   1.0   0.33   0.02) =   0.142%  kept
          HN    LYS+  66 - HB3   PRO   58  12.21 +/- 2.59   3.266% *  0.0938% (0.64   1.0   0.02   0.02) =   0.006%
          HN    HIS  122 - HB3   PRO   58  10.83 +/- 2.80   8.805% *  0.0243% (0.17   1.0   0.02   0.02) =   0.004%
          HH2   TRP   87 - HB3   PRO   58  21.45 +/- 2.52   0.470% *  0.0189% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 148.1:
      O   HD2   PRO   58 - HG3   PRO   58   2.50 +/- 0.27  97.778% * 99.7269% (0.95  10.0   5.39 148.05) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   58  10.41 +/- 1.50   1.764% *  0.0360% (0.34   1.0   0.02   0.02) =   0.001%
          HA    VAL   83 - HG3   PRO   58  23.54 +/- 2.96   0.165% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  26.23 +/- 3.51   0.132% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  25.46 +/- 4.00   0.160% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 148.0:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.02  91.694% * 99.2991% (0.76  10.0   4.50 148.05) =  99.991%  kept
          HA    THR   46 - HG3   PRO   58  13.74 +/- 2.52   3.428% *  0.1254% (0.97   1.0   0.02   0.02) =   0.005%
          HA    GLN   17 - HG3   PRO   58  20.03 +/- 3.17   0.908% *  0.1199% (0.92   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   58  20.80 +/- 3.82   0.970% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HG3   PRO   58  16.70 +/- 2.67   1.561% *  0.0488% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG3   PRO   58  23.65 +/- 3.36   0.701% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HG3   PRO   58  27.11 +/- 4.81   0.424% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  27.58 +/- 3.57   0.314% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.535, support = 5.64, residual support = 25.5:
          HN    ALA   57 - HD2   PRO   58   2.10 +/- 0.53  93.492% * 98.6017% (0.54   5.64  25.50) =  99.971%  kept
          HE21  GLN  116 - HD2   PRO   58  10.28 +/- 3.02   3.876% *  0.3993% (0.61   0.02   0.02) =   0.017%
          HN    ALA  120 - HD2   PRO   58  11.17 +/- 2.17   1.567% *  0.5957% (0.91   0.02   0.02) =   0.010%
          HN    ALA  124 - HD2   PRO   58  15.42 +/- 3.07   0.882% *  0.2317% (0.36   0.02   0.02) =   0.002%
          HE21  GLN   17 - HD2   PRO   58  21.10 +/- 3.42   0.183% *  0.1716% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 148.0:
      O   HA    PRO   58 - HD3   PRO   58   3.90 +/- 0.09  65.815% * 99.2639% (0.72  10.0   6.52 148.05) =  99.985%  kept
          HA    THR   46 - HD3   PRO   58  11.86 +/- 2.75   4.243% *  0.1254% (0.91   1.0   0.02   0.02) =   0.008%
          HA    GLN   17 - HD3   PRO   58  19.32 +/- 2.66   0.689% *  0.1199% (0.87   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HD3   PRO   58  15.44 +/- 2.35   1.430% *  0.0487% (0.36   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HD3   PRO   58  19.73 +/- 3.38   0.703% *  0.0788% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68  11.26 +/- 5.02   9.220% *  0.0053% (0.04   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD3   PRO   58  22.95 +/- 2.76   0.431% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HD3   PRO   58  26.52 +/- 4.40   0.309% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  26.65 +/- 3.17   0.241% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  13.94 +/- 4.45   4.220% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.74 +/- 2.27   3.412% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  16.15 +/- 2.62   1.697% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  12.02 +/- 2.78   4.021% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  17.45 +/- 3.32   1.278% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.96 +/- 1.48   1.321% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  17.89 +/- 2.84   0.971% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 3.99, residual support = 25.5:
          HN    ALA   57 - HD3   PRO   58   2.40 +/- 0.45  87.685% * 97.9292% (0.54   3.99  25.50) =  99.956%  kept
          HN    ALA  120 - HD3   PRO   58  10.85 +/- 1.85   2.255% *  0.8359% (0.91   0.02   0.02) =   0.022%
          HE21  GLN  116 - HD3   PRO   58  10.08 +/- 2.78   2.590% *  0.5603% (0.61   0.02   0.02) =   0.017%
          HN    ALA  124 - HD3   PRO   58  15.14 +/- 3.00   0.981% *  0.3251% (0.36   0.02   0.02) =   0.004%
          HN    ALA  124 - HD2   PRO   68  18.26 +/- 7.55   3.359% *  0.0144% (0.02   0.02   0.02) =   0.001%
          HE21  GLN   17 - HD3   PRO   58  21.16 +/- 3.23   0.172% *  0.2408% (0.26   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  18.00 +/- 5.27   0.660% *  0.0370% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.20 +/- 3.61   1.600% *  0.0107% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  16.94 +/- 1.82   0.451% *  0.0217% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  20.00 +/- 3.86   0.247% *  0.0248% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.5:
          QB    ALA   57 - HD3   PRO   58   2.77 +/- 0.78  75.055% * 96.7335% (0.87   3.30  25.50) =  99.955%  kept
          QD    LYS+  65 - HD3   PRO   58  11.42 +/- 2.26   2.303% *  0.3093% (0.46   0.02   0.02) =   0.010%
          HD2   LYS+  74 - HD3   PRO   58  15.26 +/- 3.23   1.028% *  0.6298% (0.94   0.02   0.02) =   0.009%
          HB3   LEU  123 - HD3   PRO   58  13.14 +/- 2.93   1.221% *  0.4110% (0.61   0.02   0.02) =   0.007%
          HD3   LYS+ 111 - HD3   PRO   58  16.16 +/- 2.33   0.819% *  0.5698% (0.85   0.02   0.02) =   0.006%
          HB2   LYS+ 121 - HD3   PRO   58  12.55 +/- 2.49   1.200% *  0.3343% (0.50   0.02   0.02) =   0.006%
          QD    LYS+  33 - HD3   PRO   58  21.42 +/- 3.55   0.313% *  0.4110% (0.61   0.02   0.02) =   0.002%
          HB    VAL   83 - HD3   PRO   58  20.56 +/- 3.05   0.421% *  0.2612% (0.39   0.02   0.02) =   0.002%
          QD    LYS+  33 - HD2   PRO   68  14.92 +/- 3.24   3.493% *  0.0182% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD2   PRO   68   9.50 +/- 1.06   4.032% *  0.0137% (0.02   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   68  17.85 +/- 6.60   2.936% *  0.0182% (0.03   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   PRO   58  23.37 +/- 4.05   0.244% *  0.1767% (0.26   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   68  16.81 +/- 5.84   2.053% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  13.94 +/- 2.80   1.024% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  14.45 +/- 1.44   1.095% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  14.56 +/- 2.69   2.286% *  0.0078% (0.01   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  26.37 +/- 4.89   0.214% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  21.46 +/- 3.06   0.262% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.06, residual support = 25.5:
        T QB    ALA   57 - HD2   PRO   58   2.55 +/- 0.46  92.845% * 97.4262% (0.87 10.00   5.07  25.50) =  99.975%  kept
        T HD2   LYS+  74 - HD2   PRO   58  15.43 +/- 3.13   0.884% *  1.0461% (0.94 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  65 - HD2   PRO   58  11.24 +/- 2.06   1.709% *  0.5137% (0.46 10.00   0.02   0.02) =   0.010%
        T HB    VAL   83 - HD2   PRO   58  20.80 +/- 2.99   0.277% *  0.4339% (0.39 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   58  12.96 +/- 2.71   1.803% *  0.0555% (0.50  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   58  13.40 +/- 3.00   1.442% *  0.0683% (0.61  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HD2   PRO   58  23.86 +/- 4.12   0.256% *  0.2934% (0.26 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   PRO   58  16.34 +/- 2.27   0.530% *  0.0947% (0.85  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HD2   PRO   58  21.79 +/- 3.58   0.254% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 7.72, residual support = 148.1:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  97.929% * 99.6708% (0.89  10.0 10.00   7.72 148.05) =  99.999%  kept
          HB2   CYS   53 - HD3   PRO   58   8.60 +/- 1.43   1.236% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  22.15 +/- 2.69   0.059% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.23 +/- 1.56   0.114% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.32 +/- 3.12   0.039% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  24.46 +/- 3.44   0.045% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  18.41 +/- 5.39   0.216% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.19 +/- 2.59   0.202% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  23.02 +/- 3.07   0.056% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  19.06 +/- 2.48   0.105% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.72, residual support = 148.1:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  98.829% * 99.5891% (0.95  10.0 10.00   7.72 148.05) =  99.999%  kept
          HA    ALA   61 - HD2   PRO   58   8.78 +/- 0.78   0.846% *  0.0446% (0.42   1.0  1.00   0.02   0.86) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.23 +/- 1.56   0.115% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  15.50 +/- 2.74   0.210% *  0.0893% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2717 (7.24, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.678, support = 6.53, residual support = 40.1:
          HN    PHE   59 - HD2   PRO   58   3.13 +/- 0.70  82.749% * 86.2524% (0.69   6.64  40.09) =  97.532%  kept
          QE    PHE   59 - HD2   PRO   58   6.98 +/- 1.75  13.735% * 13.0589% (0.32   2.14  40.09) =   2.451%  kept
          HN    HIS  122 - HD2   PRO   58  11.88 +/- 2.79   3.168% *  0.3505% (0.93   0.02   0.02) =   0.015%
          HH2   TRP   87 - HD2   PRO   58  21.37 +/- 1.76   0.348% *  0.3382% (0.89   0.02   0.02) =   0.002%
    Distance limit 3.94 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 = 22.2:
        T QG1   ILE   56 - HB3   PHE   59   2.68 +/- 0.53  98.796% * 99.6917% (0.53 10.00   3.00  22.18) =  99.998%  kept
          HB    ILE   89 - HB3   PHE   59  15.60 +/- 2.05   0.780% *  0.1857% (0.98  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PHE   59  18.58 +/- 2.70   0.425% *  0.1226% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.529, support = 0.586, residual support = 5.09:
          HB3   ASP-  62 - HB3   PHE   59   5.35 +/- 1.04  42.768% * 56.8089% (0.45   0.75   6.47) =  71.294%  kept
          QE    LYS+ 112 - HB3   PHE   59   6.70 +/- 1.90  30.959% * 25.9789% (0.80   0.19   1.93) =  23.600%  kept
          HB    VAL  107 - HB3   PHE   59   8.62 +/- 2.79  18.255% *  8.3145% (0.38   0.13   0.34) =   4.454%  kept
          HB3   PHE   45 - HB3   PHE   59  11.20 +/- 2.19   6.515% *  2.7057% (0.80   0.02   0.02) =   0.517%  kept
          HB3   ASP-  86 - HB3   PHE   59  20.16 +/- 2.92   0.974% *  2.9310% (0.87   0.02   0.02) =   0.084%
          HG2   GLU-  29 - HB3   PHE   59  24.07 +/- 4.02   0.528% *  3.2609% (0.97   0.02   0.02) =   0.051%
    Distance limit 3.96 A violated in 0 structures by 0.53 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.48, residual support = 22.2:
        T QG1   ILE   56 - HB2   PHE   59   2.72 +/- 0.91  91.248% * 99.0024% (0.18 10.00   2.48  22.18) =  99.981%  kept
          HB    VAL   43 - HB2   PHE   59  12.92 +/- 2.76   5.220% *  0.1928% (0.34  1.00   0.02   0.02) =   0.011%
          HB    ILE   89 - HB2   PHE   59  15.92 +/- 2.48   0.865% *  0.3657% (0.65  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HB2   PHE   59  18.06 +/- 3.56   1.286% *  0.1410% (0.25  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HB2   PHE   59  18.61 +/- 3.17   0.941% *  0.1410% (0.25  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HB2   PHE   59  19.86 +/- 1.85   0.441% *  0.1572% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.97, residual support = 57.8:
      O   HN    PHE   59 - HB3   PHE   59   2.65 +/- 0.58  96.571% * 99.4232% (0.31  10.0   4.97  57.80) =  99.990%  kept
          HN    HIS  122 - HB3   PHE   59   9.79 +/- 0.75   2.955% *  0.2794% (0.87   1.0   0.02   0.02) =   0.009%
          HH2   TRP   87 - HB3   PHE   59  18.32 +/- 2.30   0.475% *  0.2974% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.12 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.31, residual support = 57.8:
      O   HN    PHE   59 - HB2   PHE   59   2.53 +/- 0.57  77.230% * 93.3103% (1.00  10.0   4.36  57.80) =  98.325%  kept
          QE    PHE   59 - HB2   PHE   59   4.49 +/- 0.05  18.699% *  6.5552% (0.80   1.0   1.75  57.80) =   1.672%  kept
          HN    HIS  122 - HB2   PHE   59   9.47 +/- 0.91   2.091% *  0.0566% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB2   PHE   59  10.68 +/- 1.16   1.586% *  0.0288% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   PHE   59  18.43 +/- 2.72   0.394% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 6.47:
          HB2   ASP-  62 - HA    PHE   59   3.83 +/- 0.57  93.327% * 97.0773% (0.99  1.00   1.50   6.47) =  99.897%  kept
        T QB    ASP- 113 - HA    PHE   59  12.39 +/- 0.86   3.097% *  2.2871% (0.18 10.00   0.02   0.02) =   0.078%
          HB2   PRO   52 - HA    PHE   59  12.88 +/- 1.84   3.577% *  0.6357% (0.49  1.00   0.02   0.02) =   0.025%
    Distance limit 3.62 A violated in 0 structures by 0.37 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.177, support = 2.93, residual support = 6.42:
          HB3   ASP-  62 - HA    PHE   59   4.14 +/- 1.34  73.266% * 85.4423% (0.18  1.00   2.96   6.47) =  99.118%  kept
        T HB3   TRP   87 - HA    PHE   59  17.18 +/- 2.39   2.651% *  9.1744% (0.28 10.00   0.02   0.02) =   0.385%  kept
          HG3   GLN  116 - HA    PHE   59   9.49 +/- 1.98  17.993% *  1.1256% (0.34  1.00   0.02   0.27) =   0.321%  kept
          HG3   MET   96 - HA    PHE   59  14.37 +/- 2.66   5.383% *  1.7360% (0.53  1.00   0.02   0.02) =   0.148%  kept
          HG2   GLU-  36 - HA    PHE   59  25.65 +/- 3.51   0.707% *  2.5217% (0.76  1.00   0.02   0.02) =   0.028%
    Distance limit 3.87 A violated in 4 structures by 0.68 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 4.89, residual support = 57.8:
      O   HN    PHE   59 - HA    PHE   59   2.80 +/- 0.05  75.345% * 92.6721% (1.00  10.0   4.95  57.80) =  98.125%  kept
          QE    PHE   59 - HA    PHE   59   4.55 +/- 0.38  18.510% *  7.1943% (0.80   1.0   1.94  57.80) =   1.871%  kept
          HN    HIS  122 - HA    PHE   59   8.84 +/- 1.00   2.687% *  0.0562% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    PHE   59   9.21 +/- 1.75   3.140% *  0.0286% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HA    PHE   59  18.33 +/- 2.33   0.318% *  0.0488% (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 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.03, residual support = 20.2:
          HN    PHE   60 - HB3   PHE   59   3.32 +/- 0.56  85.460% * 98.7622% (0.61   4.03  20.19) =  99.961%  kept
          HN    THR  118 - HB3   PHE   59   8.53 +/- 0.76   5.901% *  0.3035% (0.38   0.02  12.22) =   0.021%
          HN    GLN  116 - HB3   PHE   59   7.79 +/- 1.12   8.254% *  0.1416% (0.18   0.02   0.27) =   0.014%
          HN    GLU-  15 - HB3   PHE   59  22.36 +/- 2.09   0.385% *  0.7926% (0.98   0.02   0.02) =   0.004%
    Distance limit 3.82 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.988, support = 3.92, residual support = 72.0:
          QD    PHE   60 - HA    PHE   60   3.00 +/- 0.42  81.816% * 91.2957% (1.00   3.95  72.74) =  98.641%  kept
          QE    PHE   59 - HA    PHE   60   6.84 +/- 1.28  12.630% *  7.9978% (0.25   1.39  20.19) =   1.334%  kept
          HN    LYS+  66 - HA    PHE   60   7.95 +/- 0.58   5.179% *  0.3360% (0.73   0.02   0.02) =   0.023%
          HN    LYS+  81 - HA    PHE   60  18.76 +/- 2.56   0.376% *  0.3705% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.18 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 = 4.93, residual support = 72.7:
      O   HN    PHE   60 - HA    PHE   60   2.76 +/- 0.09  95.562% * 99.7483% (0.61  10.0   4.93  72.74) =  99.998%  kept
          HN    THR  118 - HA    PHE   60  11.42 +/- 1.47   1.751% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HA    PHE   60  11.13 +/- 1.83   2.366% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HA    PHE   60  19.19 +/- 1.98   0.322% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 4.99, residual support = 41.6:
      O   HN    ALA   61 - HA    PHE   60   3.60 +/- 0.04  92.514% * 99.5823% (0.84  10.0   4.99  41.63) =  99.993%  kept
          HN    TRP   27 - HA    PHE   60  16.37 +/- 3.72   2.522% *  0.1182% (0.99   1.0   0.02   0.02) =   0.003%
          HN    ALA   91 - HA    PHE   60  15.80 +/- 2.18   1.320% *  0.1069% (0.90   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HA    PHE   60  15.93 +/- 1.87   1.240% *  0.0535% (0.45   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA    PHE   60  16.56 +/- 1.54   1.047% *  0.0627% (0.53   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    PHE   60  18.22 +/- 2.15   0.835% *  0.0580% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    PHE   60  21.26 +/- 2.40   0.521% *  0.0184% (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 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.632, support = 0.672, residual support = 1.34:
          HA    ASP-  44 - HB2   PHE   60   8.03 +/- 2.09  17.294% * 71.2249% (1.00   0.62   2.16) =  56.306%  kept
          HA    ALA   57 - HB2   PHE   60   3.70 +/- 0.81  70.569% * 13.2964% (0.15   0.75   0.30) =  42.893%  kept
          HB    THR   77 - HB2   PHE   60  14.25 +/- 3.51   1.782% *  2.2525% (0.98   0.02   0.02) =   0.184%  kept
          HA    ILE  103 - HB2   PHE   60  17.01 +/- 2.44   1.403% *  2.1213% (0.92   0.02   0.02) =   0.136%  kept
          HA    THR   39 - HB2   PHE   60  17.81 +/- 3.58   2.582% *  1.1186% (0.49   0.02   0.02) =   0.132%  kept
          HA1   GLY   51 - HB2   PHE   60  13.06 +/- 2.18   2.001% *  0.8625% (0.38   0.02   0.02) =   0.079%
          HA    GLU-  79 - HB2   PHE   60  17.30 +/- 3.79   1.235% *  1.3010% (0.57   0.02   0.02) =   0.073%
          HA    GLU-  14 - HB2   PHE   60  20.36 +/- 2.80   1.356% *  0.9447% (0.41   0.02   0.02) =   0.059%
          HA    SER   85 - HB2   PHE   60  20.38 +/- 2.22   0.524% *  2.2525% (0.98   0.02   0.02) =   0.054%
          HA    MET   11 - HB2   PHE   60  27.93 +/- 4.19   0.332% *  2.2980% (1.00   0.02   0.02) =   0.035%
          HA    ASP-  86 - HB2   PHE   60  21.17 +/- 2.44   0.497% *  1.1186% (0.49   0.02   0.02) =   0.025%
          HA    ALA   12 - HB2   PHE   60  25.71 +/- 3.25   0.425% *  1.2090% (0.53   0.02   0.02) =   0.023%
    Distance limit 3.94 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.7:
      O   QD    PHE   60 - HB2   PHE   60   2.45 +/- 0.17  91.237% * 99.7759% (0.76  10.0   3.76  72.74) =  99.997%  kept
          QD    PHE   55 - HB2   PHE   60   8.67 +/- 1.81   4.990% *  0.0258% (0.20   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   PHE   60  13.45 +/- 3.30   1.949% *  0.0326% (0.25   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   PHE   60   9.83 +/- 0.56   1.539% *  0.0363% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   PHE   60  19.05 +/- 3.43   0.285% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.89, residual support = 41.6:
          HN    ALA   61 - HB2   PHE   60   3.19 +/- 0.43  92.951% * 95.7308% (0.38   4.89  41.63) =  99.947%  kept
          HN    TRP   27 - HB2   PHE   60  16.60 +/- 3.78   2.502% *  0.8357% (0.80   0.02   0.02) =   0.023%
          HD1   TRP   87 - HB2   PHE   60  16.56 +/- 2.33   1.056% *  0.9360% (0.90   0.02   0.02) =   0.011%
          HN    ALA   91 - HB2   PHE   60  16.02 +/- 2.66   1.220% *  0.4679% (0.45   0.02   0.02) =   0.006%
          HN    THR   39 - HB2   PHE   60  18.91 +/- 3.21   0.580% *  0.9634% (0.92   0.02   0.02) =   0.006%
          HN    GLU-  36 - HB2   PHE   60  21.78 +/- 3.13   0.389% *  0.5491% (0.53   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   PHE   60  20.76 +/- 2.83   0.488% *  0.3560% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB2   PHE   60  17.27 +/- 1.85   0.814% *  0.1610% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.58 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 = 72.7:
      O   HN    PHE   60 - HB2   PHE   60   2.21 +/- 0.32  97.956% * 99.7483% (0.61  10.0   4.79  72.74) =  99.999%  kept
          HN    THR  118 - HB2   PHE   60  12.05 +/- 1.53   0.913% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB2   PHE   60  19.90 +/- 2.79   0.180% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.46 +/- 1.78   0.952% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.985, support = 2.79, residual support = 9.62:
        T QD1   LEU   63 - HA    PHE   60   3.29 +/- 1.10  47.719% * 77.1278% (1.00 10.00   2.96  10.06) =  91.239%  kept
        T QD1   LEU   73 - HA    PHE   60  10.25 +/- 2.75  12.972% * 16.1891% (1.00 10.00   0.42   2.12) =   5.206%  kept
          QD2   LEU   63 - HA    PHE   60   4.27 +/- 1.31  29.850% *  4.3813% (0.57  1.00   2.01  10.06) =   3.242%  kept
          QD2   LEU  115 - HA    PHE   60   6.77 +/- 1.48   6.770% *  1.7899% (0.84  1.00   0.56   0.02) =   0.300%  kept
        T QD1   LEU  104 - HA    PHE   60  12.99 +/- 2.57   1.008% *  0.4367% (0.57 10.00   0.02   0.02) =   0.011%
          QD2   LEU   80 - HA    PHE   60  15.05 +/- 2.92   0.632% *  0.0618% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    PHE   60  14.30 +/- 2.97   1.050% *  0.0135% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.09 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   3.34 +/- 0.75  50.445% * 98.7255% (0.92 10.00   1.50  10.06) =  99.882%  kept
          HB3   ASP-  44 - HA    PHE   60   6.29 +/- 2.10  19.289% *  0.1398% (0.98  1.00   0.02   2.16) =   0.054%
          HB3   PRO   93 - HA    PHE   60   9.24 +/- 3.12  10.747% *  0.1237% (0.87  1.00   0.02   0.02) =   0.027%
          HB3   LEU   73 - HA    PHE   60  11.43 +/- 2.54   9.035% *  0.1148% (0.15  1.00   0.10   2.12) =   0.021%
          HG    LEU   98 - HA    PHE   60  15.21 +/- 2.79   1.102% *  0.1376% (0.97  1.00   0.02   0.02) =   0.003%
          QB    ALA   84 - HA    PHE   60  14.17 +/- 1.45   0.875% *  0.1279% (0.90  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    PHE   60  15.21 +/- 1.36   0.775% *  0.1423% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    PHE   60  11.46 +/- 2.87   3.116% *  0.0317% (0.22  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HA    PHE   60  17.66 +/- 3.00   0.918% *  0.0980% (0.69  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    PHE   60  16.86 +/- 3.67   0.699% *  0.1191% (0.84  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    PHE   60  16.23 +/- 2.84   0.650% *  0.0865% (0.61  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    PHE   60  14.12 +/- 2.12   1.162% *  0.0440% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    PHE   60  18.43 +/- 3.02   0.541% *  0.0486% (0.34  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    PHE   60  20.99 +/- 2.91   0.351% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  21.55 +/- 2.04   0.294% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.446, support = 0.866, residual support = 0.815:
        T QG2   VAL   18 - HA    ALA   61   7.73 +/- 3.75  25.719% * 60.4675% (0.34 10.00   0.92   0.87) =  74.204%  kept
          QD2   LEU   73 - HA    ALA   61   7.48 +/- 1.87  22.653% * 10.8244% (0.87  1.00   0.64   0.17) =  11.700%  kept
          QD1   ILE   56 - HA    ALA   61   8.25 +/- 1.23  14.512% * 13.3967% (0.61  1.00   1.14   1.60) =   9.277%  kept
        T QG1   VAL   41 - HA    ALA   61  11.75 +/- 2.38   6.571% * 14.6224% (0.76 10.00   0.10   0.02) =   4.585%  kept
          QG1   VAL   43 - HA    ALA   61  10.04 +/- 1.45   8.573% *  0.2191% (0.57  1.00   0.02   0.02) =   0.090%
          QG2   THR   46 - HA    ALA   61   8.36 +/- 2.33  18.635% *  0.0965% (0.25  1.00   0.02   0.02) =   0.086%
          HG    LEU   31 - HA    ALA   61  14.38 +/- 3.03   3.336% *  0.3735% (0.97  1.00   0.02   0.02) =   0.059%
    Distance limit 2.98 A violated in 13 structures by 2.37 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.3, residual support = 6.34:
        T QB    ALA   64 - HA    ALA   61   3.33 +/- 0.73  84.536% * 98.7496% (0.34 10.00   2.30   6.35) =  99.866%  kept
        T QG1   VAL   75 - HA    ALA   61   8.36 +/- 1.92   9.371% *  1.0865% (0.38 10.00   0.02   0.02) =   0.122%  kept
          QD1   LEU  115 - HA    ALA   61   9.38 +/- 1.27   6.093% *  0.1639% (0.57  1.00   0.02   0.02) =   0.012%
    Distance limit 3.37 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.35:
          HN    ALA   64 - HA    ALA   61   3.54 +/- 0.30 100.000% *100.0000% (0.84   0.75   6.35) = 100.000%  kept
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.76, residual support = 17.9:
      O   HN    ALA   61 - HA    ALA   61   2.78 +/- 0.06  95.889% * 98.9218% (0.38  10.0   2.76  17.93) =  99.992%  kept
          HN    TRP   27 - HA    ALA   61  14.73 +/- 3.40   1.448% *  0.2111% (0.80   1.0   0.02   0.02) =   0.003%
          HN    THR   39 - HA    ALA   61  16.68 +/- 3.02   0.686% *  0.2433% (0.92   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HA    ALA   61  17.00 +/- 1.92   0.481% *  0.2364% (0.90   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    ALA   61  19.65 +/- 3.08   0.347% *  0.1387% (0.53   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    ALA   61  17.99 +/- 1.67   0.385% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  20.30 +/- 2.91   0.306% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  17.77 +/- 2.40   0.458% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.721, support = 3.78, residual support = 72.0:
      O   QD    PHE   60 - HB3   PHE   60   2.51 +/- 0.19  80.721% * 87.7689% (0.73  10.0   3.79  72.74) =  98.516%  kept
          HN    PHE   59 - HB3   PHE   60   5.25 +/- 0.60   9.972% *  6.8250% (0.28   1.0   4.06  20.19) =   0.946%  kept
          QE    PHE   59 - HB3   PHE   60   7.86 +/- 1.50   7.333% *  5.2401% (0.65   1.0   1.34  20.19) =   0.534%  kept
          HN    LYS+  66 - HB3   PHE   60   9.42 +/- 0.70   1.702% *  0.1206% (1.00   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - HB3   PHE   60  19.01 +/- 3.44   0.271% *  0.0454% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.93, residual support = 72.7:
      O   HN    PHE   60 - HB3   PHE   60   2.74 +/- 0.44  99.533% * 99.5797% (0.20  10.0   4.93  72.74) =  99.998%  kept
          HN    GLU-  15 - HB3   PHE   60  19.64 +/- 2.50   0.467% *  0.4203% (0.84   1.0   0.02   0.02) =   0.002%
    Distance limit 3.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.844, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  16.55 +/- 2.33  27.859% * 23.9067% (0.95   0.02   0.02) =  34.862%  kept
          HN    THR   39 - HB3   PHE   60  18.77 +/- 2.97  19.685% * 23.3294% (0.92   0.02   0.02) =  24.039%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.78 +/- 2.65  14.240% * 20.2366% (0.80   0.02   0.02) =  15.084%  kept
          HN    GLU-  36 - HB3   PHE   60  21.69 +/- 3.03  10.960% * 23.9067% (0.95   0.02   0.02) =  13.716%  kept
          HN    TRP   27 - HB3   PHE   60  16.68 +/- 4.07  27.256% *  8.6206% (0.34   0.02   0.02) =  12.299%  kept
    Distance limit 3.68 A violated in 20 structures by 9.27 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.3, residual support = 5.52:
          HA    LYS+  81 - QB    ALA   84   2.30 +/- 0.29  95.836% * 58.7103% (0.33  1.00   2.31   5.53) =  99.722%  kept
        T HA    ASN   28 - QB    ALA   84  15.48 +/- 4.45   0.518% * 13.7794% (0.89 10.00   0.02   0.02) =   0.127%  kept
        T HA    ALA   34 - QB    ALA   84  19.01 +/- 2.36   0.254% * 11.4077% (0.74 10.00   0.02   0.02) =   0.051%
        T HA    ALA  124 - QB    ALA   84  24.41 +/- 2.94   0.242% * 11.4077% (0.74 10.00   0.02   0.02) =   0.049%
          HA1   GLY  101 - QB    ALA   84  16.17 +/- 2.88   1.327% *  0.8451% (0.55  1.00   0.02   0.02) =   0.020%
          HA    ARG+  54 - QB    ALA   84  15.73 +/- 3.05   0.676% *  1.2948% (0.84  1.00   0.02   0.02) =   0.016%
          HA    LEU  115 - QB    ALA   84  14.97 +/- 1.82   0.446% *  1.3387% (0.87  1.00   0.02   0.02) =   0.011%
          HA    GLU- 114 - QB    ALA   84  17.10 +/- 1.98   0.289% *  0.6137% (0.40  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QB    ALA   84  17.54 +/- 4.06   0.292% *  0.2303% (0.15  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   84  23.51 +/- 2.62   0.120% *  0.3722% (0.24  1.00   0.02   0.02) =   0.001%
    Distance limit 3.31 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 = 0.272, support = 1.7, residual support = 13.0:
          HA    SER   85 - QB    ALA   84   3.78 +/- 0.05  48.206% * 15.3037% (0.15  1.00   2.33  20.66) =  62.990%  kept
        T HA    ASP-  44 - QB    ALA   84   9.57 +/- 1.40   3.763% * 60.7053% (0.19 10.00   0.72   0.02) =  19.506%  kept
          HA    ASP-  86 - QB    ALA   84   6.52 +/- 0.08   9.384% * 20.3787% (0.84  1.00   0.55   0.02) =  16.328%  kept
          HA    TRP   87 - QB    ALA   84   6.92 +/- 0.20   7.878% *  0.9712% (0.27  1.00   0.08   0.02) =   0.653%  kept
          HB    THR   77 - QB    ALA   84   6.42 +/- 3.04  27.559% *  0.1314% (0.15  1.00   0.02   0.02) =   0.309%  kept
          HA    LEU  104 - QB    ALA   84  15.88 +/- 3.10   2.568% *  0.8221% (0.93  1.00   0.02   0.02) =   0.180%  kept
          HA    GLU-  14 - QB    ALA   84  22.50 +/- 2.96   0.300% *  0.7864% (0.89  1.00   0.02   0.02) =   0.020%
          HA    ALA   12 - QB    ALA   84  26.78 +/- 3.49   0.173% *  0.7115% (0.81  1.00   0.02   0.02) =   0.011%
          HA    MET   11 - QB    ALA   84  28.29 +/- 4.28   0.168% *  0.1897% (0.21  1.00   0.02   0.02) =   0.003%
    Distance limit 3.31 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.11, residual support = 17.5:
      O   HN    ALA   84 - QB    ALA   84   2.02 +/- 0.08  94.646% * 98.8488% (0.30  10.0   4.11  17.49) =  99.988%  kept
          HZ2   TRP   87 - QB    ALA   84   8.12 +/- 1.21   3.084% *  0.2326% (0.70   1.0   0.02   0.02) =   0.008%
          HD21  ASN   28 - QB    ALA   84  14.15 +/- 5.29   0.718% *  0.2872% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ILE   56 - QB    ALA   84  15.34 +/- 2.28   0.305% *  0.2200% (0.66   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    ALA   84  15.16 +/- 0.88   0.238% *  0.2564% (0.77   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - QB    ALA   84  12.26 +/- 2.79   0.697% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  14.50 +/- 2.38   0.313% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 3.93, residual support = 20.3:
          HN    SER   85 - QB    ALA   84   2.68 +/- 0.15  83.641% * 90.4673% (0.77   3.98  20.66) =  98.336%  kept
          HN    LEU   80 - QB    ALA   84   5.50 +/- 0.95  14.766% *  8.6444% (0.30   0.99   0.02) =   1.659%  kept
          HN    GLN   32 - QB    ALA   84  18.09 +/- 3.82   0.384% *  0.5675% (0.97   0.02   0.02) =   0.003%
          HN    CYS   53 - QB    ALA   84  13.69 +/- 2.98   0.888% *  0.0876% (0.15   0.02   0.02) =   0.001%
          HN    ALA   34 - QB    ALA   84  18.57 +/- 2.84   0.321% *  0.2333% (0.40   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.926, support = 1.07, residual support = 29.1:
          HN    LEU  123 - QB    ALA  120   3.90 +/- 0.08  78.939% * 87.4088% (0.94   1.10  30.05) =  96.719%  kept
          HN    ALA  124 - QB    ALA  120   6.21 +/- 0.36  20.426% * 11.4217% (0.57   0.23   0.02) =   3.270%  kept
          HE21  GLN   17 - QB    ALA  120  21.35 +/- 3.75   0.634% *  1.1695% (0.69   0.02   0.02) =   0.010%
    Distance limit 2.83 A violated in 0 structures by 1.03 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 1.94, residual support = 5.15:
        T HA    SER  117 - QB    ALA  120   3.14 +/- 0.46  94.612% * 99.0832% (0.54 10.00   1.94   5.15) =  99.993%  kept
          HA    ALA   57 - QB    ALA  120  12.84 +/- 1.38   1.544% *  0.1705% (0.89  1.00   0.02   0.02) =   0.003%
        T HB    THR   26 - QB    ALA  120  22.72 +/- 4.21   0.391% *  0.4012% (0.21 10.00   0.02   0.02) =   0.002%
          HA    THR   39 - QB    ALA  120  19.87 +/- 4.75   0.919% *  0.1020% (0.54  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA  120  18.77 +/- 2.26   0.562% *  0.1238% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA  120  22.72 +/- 3.25   0.668% *  0.0877% (0.46  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QB    ALA  120  15.43 +/- 3.71   1.304% *  0.0316% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.01, residual support = 17.9:
      O   HN    ALA   61 - QB    ALA   61   2.08 +/- 0.07  93.469% * 99.3531% (0.97  10.0   4.01  17.93) =  99.995%  kept
          HN    ALA   91 - QB    ALA  110   9.27 +/- 3.03   2.517% *  0.0755% (0.73   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - QB    ALA   61  13.01 +/- 3.22   1.052% *  0.0923% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA  110  13.33 +/- 2.52   0.539% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  15.49 +/- 2.82   0.421% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  15.25 +/- 2.02   0.295% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  14.41 +/- 2.38   0.370% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  15.17 +/- 3.17   0.448% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  14.81 +/- 2.29   0.360% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.21 +/- 2.13   0.354% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  21.89 +/- 2.54   0.090% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  23.57 +/- 2.97   0.083% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.58:
      O   HN    ALA  110 - QB    ALA  110   2.71 +/- 0.28  75.711% * 99.6796% (0.87  10.0   2.12   9.58) =  99.987%  kept
          HN    PHE   45 - QB    ALA   61   8.72 +/- 2.24   7.232% *  0.0550% (0.48   1.0   0.02   0.02) =   0.005%
          HN    ASP-  44 - QB    ALA   61   8.01 +/- 2.43  12.555% *  0.0236% (0.21   1.0   0.02   0.26) =   0.004%
          HN    PHE   45 - QB    ALA  110  10.92 +/- 2.40   2.108% *  0.0743% (0.65   1.0   0.02   0.02) =   0.002%
          HN    ALA  110 - QB    ALA   61  14.61 +/- 2.11   0.656% *  0.0738% (0.64   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - QB    ALA  110  13.93 +/- 2.33   0.825% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  15.17 +/- 3.42   0.770% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  23.23 +/- 2.92   0.143% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 2.76, residual support = 8.11:
          HN    ASP-  62 - QB    ALA   61   2.79 +/- 0.27  79.231% * 82.0928% (1.00   2.79   8.20) =  98.807%  kept
          HN    PHE   55 - QB    ALA  110  10.41 +/- 3.98   8.570% *  5.5685% (0.33   0.57   0.10) =   0.725%  kept
          HN    ARG+  54 - QB    ALA  110  11.27 +/- 3.79   4.867% *  3.0727% (0.64   0.16   0.02) =   0.227%  kept
          HN    PHE   55 - QB    ALA   61  10.11 +/- 0.95   1.934% *  6.8897% (0.45   0.52   0.02) =   0.202%  kept
          HN    ARG+  54 - QB    ALA   61  10.26 +/- 1.32   1.898% *  0.5119% (0.87   0.02   0.02) =   0.015%
          HN    LEU   31 - QB    ALA   61  13.71 +/- 3.09   1.415% *  0.5785% (0.98   0.02   0.02) =   0.012%
          HN    ASP-  62 - QB    ALA  110  13.65 +/- 2.22   0.998% *  0.4357% (0.74   0.02   0.02) =   0.007%
          HN    LYS+  38 - QB    ALA   61  16.77 +/- 3.24   0.747% *  0.2426% (0.41   0.02   0.02) =   0.003%
          HN    LEU   31 - QB    ALA  110  22.18 +/- 2.51   0.189% *  0.4281% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  38 - QB    ALA  110  25.13 +/- 2.94   0.152% *  0.1795% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.797, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  17.75 +/- 3.89  30.078% * 28.1529% (1.00   0.02   0.02) =  40.331%  kept
          HA    GLU-  14 - HB2   ASP-  62  19.87 +/- 2.43  23.489% * 21.5631% (0.76   0.02   0.02) =  24.123%  kept
          HA    ASP-  86 - HB2   ASP-  62  22.80 +/- 3.47  13.812% * 19.3814% (0.69   0.02   0.02) =  12.750%  kept
          HA    TRP   87 - HB2   ASP-  62  20.18 +/- 3.53  20.844% * 12.6499% (0.45   0.02   0.02) =  12.559%  kept
          HA    ALA   12 - HB2   ASP-  62  25.24 +/- 3.02  11.777% * 18.2527% (0.65   0.02   0.02) =  10.238%  kept
    Distance limit 3.51 A violated in 20 structures by 11.24 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  22.34 +/- 3.43  13.914% * 70.6236% (0.67 10.00   0.02   0.02) =  59.539%  kept
          HA    LEU  104 - HB3   ASP-  62  17.33 +/- 3.68  30.833% * 10.2586% (0.98  1.00   0.02   0.02) =  19.165%  kept
          HA    GLU-  14 - HB3   ASP-  62  19.76 +/- 2.40  22.600% *  7.8573% (0.75  1.00   0.02   0.02) =  10.759%  kept
          HA    TRP   87 - HB3   ASP-  62  19.75 +/- 3.39  21.190% *  4.6095% (0.44  1.00   0.02   0.02) =   5.918%  kept
          HA    ALA   12 - HB3   ASP-  62  25.19 +/- 3.00  11.462% *  6.6511% (0.63  1.00   0.02   0.02) =   4.619%  kept
    Distance limit 3.24 A violated in 20 structures by 11.33 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.1, residual support = 4.15:
          HN    LYS+  65 - HA    ASP-  62   3.69 +/- 0.45 100.000% *100.0000% (0.15   1.10   4.15) = 100.000%  kept
    Distance limit 3.69 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   2.75 +/- 0.06  96.732% * 99.7294% (1.00  10.0   3.83  41.00) =  99.998%  kept
          HN    ARG+  54 - HA    ASP-  62  13.94 +/- 2.24   1.313% *  0.0867% (0.87   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ASP-  62  17.22 +/- 3.43   0.684% *  0.0980% (0.98   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HA    ASP-  62  13.59 +/- 1.40   0.941% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  20.29 +/- 2.81   0.330% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.22, residual support = 42.3:
          HN    LEU   63 - HB2   ASP-  62   3.52 +/- 0.52  89.108% * 97.2301% (0.97   5.23  42.31) =  99.859%  kept
          HN    ILE   56 - HB2   ASP-  62  10.06 +/- 1.47   6.113% *  1.8446% (0.90   0.11   0.02) =   0.130%  kept
          HN    LYS+ 111 - HB2   ASP-  62  15.81 +/- 2.12   1.622% *  0.2027% (0.53   0.02   0.02) =   0.004%
          HD21  ASN   28 - HB2   ASP-  62  19.35 +/- 4.68   1.091% *  0.2647% (0.69   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HB2   ASP-  62  18.22 +/- 2.74   0.858% *  0.1876% (0.49   0.02   0.02) =   0.002%
          HN    ALA   84 - HB2   ASP-  62  19.54 +/- 3.02   0.714% *  0.2027% (0.53   0.02   0.02) =   0.002%
          HE21  GLN   32 - HB2   ASP-  62  24.80 +/- 4.56   0.495% *  0.0675% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.05 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   2.53 +/- 0.49  97.845% * 99.6462% (0.69  10.0   3.83  41.00) =  99.997%  kept
          HN    ARG+  54 - HB2   ASP-  62  12.79 +/- 2.53   1.402% *  0.1400% (0.97   1.0   0.02   0.02) =   0.002%
          HN    LEU   31 - HB2   ASP-  62  18.32 +/- 3.63   0.534% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  21.44 +/- 2.77   0.219% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.06 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   3.29 +/- 0.61  89.401% * 98.7098% (0.95   5.23  42.31) =  99.967%  kept
          HN    ILE   56 - HB3   ASP-  62  10.10 +/- 1.58   5.270% *  0.3509% (0.88   0.02   0.02) =   0.021%
          HD21  ASN   28 - HB3   ASP-  62  19.17 +/- 4.32   1.233% *  0.2687% (0.67   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HB3   ASP-  62  17.69 +/- 2.99   1.334% *  0.1904% (0.48   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HB3   ASP-  62  15.69 +/- 2.42   1.212% *  0.2058% (0.52   0.02   0.02) =   0.003%
          HN    ALA   84 - HB3   ASP-  62  18.99 +/- 3.15   1.135% *  0.2058% (0.52   0.02   0.02) =   0.003%
          HE21  GLN   32 - HB3   ASP-  62  24.63 +/- 4.32   0.414% *  0.0685% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.13 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   2.90 +/- 0.51  93.052% * 99.7294% (0.98  10.0   3.83  41.00) =  99.995%  kept
          HN    ARG+  54 - HB3   ASP-  62  12.73 +/- 2.74   3.730% *  0.0867% (0.85   1.0   0.02   0.02) =   0.003%
          HN    PHE   55 - HB3   ASP-  62  12.19 +/- 2.03   2.109% *  0.0448% (0.44   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   ASP-  62  18.14 +/- 3.37   0.736% *  0.0980% (0.96   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB3   ASP-  62  21.29 +/- 2.61   0.373% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.84, support = 2.66, residual support = 5.96:
          QB    LYS+  66 - HA    LEU   63   3.77 +/- 0.84  48.229% * 51.3264% (1.00   2.19   7.43) =  63.400%  kept
          QB    LYS+  65 - HA    LEU   63   4.77 +/- 0.67  30.706% * 46.3197% (0.57   3.49   3.44) =  36.427%  kept
          HG    LEU  123 - HA    LEU   63  12.64 +/- 3.63  10.430% *  0.2653% (0.57   0.02   0.02) =   0.071%
          HG2   PRO   93 - HA    LEU   63  14.01 +/- 3.14   5.072% *  0.4203% (0.90   0.02   0.02) =   0.055%
          HB    VAL   41 - HA    LEU   63  13.43 +/- 2.34   1.574% *  0.4433% (0.95   0.02   0.02) =   0.018%
          HG12  ILE  103 - HA    LEU   63  16.43 +/- 3.43   1.000% *  0.3914% (0.84   0.02   0.02) =   0.010%
          HB2   LEU   71 - HA    LEU   63  12.33 +/- 1.23   1.544% *  0.2465% (0.53   0.02   0.02) =   0.010%
          HB3   PRO   52 - HA    LEU   63  15.94 +/- 3.31   0.858% *  0.2653% (0.57   0.02   0.02) =   0.006%
          QB    LYS+ 102 - HA    LEU   63  17.85 +/- 2.88   0.586% *  0.3219% (0.69   0.02   0.02) =   0.005%
    Distance limit 3.29 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.581, support = 2.47, residual support = 7.75:
          HN    LYS+  66 - HA    LEU   63   3.66 +/- 0.36  68.576% * 59.0502% (0.53   2.69   7.43) =  87.202%  kept
          QD    PHE   60 - HA    LEU   63   6.28 +/- 0.54  14.773% * 39.7015% (0.97   0.99  10.06) =  12.630%  kept
          QE    PHE   59 - HA    LEU   63   8.36 +/- 2.18  16.161% *  0.4599% (0.14   0.08   0.02) =   0.160%  kept
          HN    LYS+  81 - HA    LEU   63  20.01 +/- 2.15   0.490% *  0.7884% (0.95   0.02   0.02) =   0.008%
    Distance limit 3.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 239.6:
      O   HN    LEU   63 - HA    LEU   63   2.80 +/- 0.05  93.627% * 99.6457% (1.00  10.0   7.54 239.63) =  99.995%  kept
          HN    ILE   56 - HA    LEU   63  11.77 +/- 1.93   1.823% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HA    LEU   63  17.98 +/- 4.90   2.194% *  0.0486% (0.49   1.0   0.02   0.19) =   0.001%
          HN    LYS+ 111 - HA    LEU   63  17.24 +/- 3.69   1.108% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HA    LEU   63  18.78 +/- 1.94   0.369% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  16.82 +/- 2.67   0.625% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  22.86 +/- 4.05   0.254% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.34 +/- 0.75  68.976% * 91.6565% (0.49 10.00   1.50  10.06) =  98.940%  kept
          QB    SER   48 - HB2   LEU   63  14.20 +/- 4.17  11.004% *  4.3253% (0.76  1.00   0.45   0.02) =   0.745%  kept
          HA    LYS+  65 - HB2   LEU   63   7.60 +/- 0.38   7.765% *  2.0852% (0.18  1.00   0.95   3.44) =   0.253%  kept
          HB    THR   94 - HB2   LEU   63  12.01 +/- 2.19   2.163% *  0.9690% (0.87  1.00   0.09   0.02) =   0.033%
          HA    LYS+ 121 - HB2   LEU   63  14.72 +/- 3.03   2.239% *  0.2318% (0.92  1.00   0.02   0.02) =   0.008%
          HA2   GLY   51 - HB2   LEU   63  15.43 +/- 3.20   1.862% *  0.2423% (0.97  1.00   0.02   0.02) =   0.007%
          QB    SER  117 - HB2   LEU   63  13.87 +/- 2.47   1.608% *  0.2461% (0.98  1.00   0.02   0.02) =   0.006%
          HA    ALA  120 - HB2   LEU   63  13.73 +/- 3.00   2.759% *  0.1321% (0.53  1.00   0.02   0.02) =   0.006%
          HA2   GLY   16 - HB2   LEU   63  15.56 +/- 2.88   1.148% *  0.0559% (0.22  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU   63  19.69 +/- 1.53   0.477% *  0.0559% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.59, residual support = 54.9:
          HN    ALA   64 - HB2   LEU   63   3.04 +/- 0.57 100.000% *100.0000% (0.57   7.59  54.87) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 2.64, residual support = 15.6:
          QE    PHE   72 - HB2   LEU   63   4.78 +/- 1.28  80.088% * 99.3471% (0.99   2.64  15.59) =  99.917%  kept
          HN    ALA   47 - HB2   LEU   63  12.42 +/- 2.44  13.942% *  0.3406% (0.45   0.02   0.02) =   0.060%
          HD22  ASN   28 - HB2   LEU   63  16.52 +/- 4.53   5.970% *  0.3123% (0.41   0.02   0.19) =   0.023%
    Distance limit 4.06 A violated in 4 structures by 0.84 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 8.12, residual support = 239.6:
      O   HN    LEU   63 - HB2   LEU   63   2.22 +/- 0.25  96.150% * 99.6457% (1.00  10.0   8.12 239.63) =  99.997%  kept
          HN    ILE   56 - HB2   LEU   63  10.25 +/- 1.97   1.602% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB2   LEU   63  17.24 +/- 4.76   1.003% *  0.0486% (0.49   1.0   0.02   0.19) =   0.001%
          HN    LYS+ 111 - HB2   LEU   63  16.43 +/- 3.41   0.496% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  17.95 +/- 1.96   0.242% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  16.31 +/- 2.80   0.358% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  22.24 +/- 4.11   0.150% *  0.0308% (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 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.52, residual support = 42.0:
          HN    ASP-  62 - HB2   LEU   63   4.64 +/- 0.31  75.287% * 90.2209% (0.76   4.55  42.31) =  99.278%  kept
          HN    LEU   31 - HB2   LEU   63  15.77 +/- 3.69   4.878% *  8.8866% (0.84   0.41   0.02) =   0.634%  kept
          HN    PHE   55 - HB2   LEU   63  12.14 +/- 2.45   7.207% *  0.4656% (0.90   0.02   0.02) =   0.049%
          HN    ARG+  54 - HB2   LEU   63  12.43 +/- 2.72  11.432% *  0.2134% (0.41   0.02   0.02) =   0.036%
          HN    ALA   88 - HB2   LEU   63  19.38 +/- 1.59   1.195% *  0.2134% (0.41   0.02   0.02) =   0.004%
    Distance limit 4.26 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.77, residual support = 54.9:
          HN    ALA   64 - HB3   LEU   63   3.55 +/- 0.60 100.000% *100.0000% (0.57   6.77  54.87) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.15, residual support = 15.6:
        T HZ    PHE   72 - HB3   LEU   63   4.66 +/- 1.83  85.211% * 99.9822% (0.87 10.00   3.15  15.59) =  99.997%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.26 +/- 4.90  14.789% *  0.0178% (0.15  1.00   0.02   2.18) =   0.003%
    Distance limit 4.01 A violated in 5 structures by 1.09 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.59, residual support = 239.6:
      O   HN    LEU   63 - HB3   LEU   63   3.23 +/- 0.43  86.506% * 99.6457% (1.00  10.0   7.59 239.63) =  99.990%  kept
          HN    ILE   56 - HB3   LEU   63  11.25 +/- 2.42   3.724% *  0.0990% (0.99   1.0   0.02   0.02) =   0.004%
          HD21  ASN   28 - HB3   LEU   63  17.34 +/- 5.36   6.200% *  0.0486% (0.49   1.0   0.02   0.19) =   0.003%
          HN    LYS+ 111 - HB3   LEU   63  17.06 +/- 3.94   1.346% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LEU   63  18.15 +/- 2.27   0.614% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB3   LEU   63  16.26 +/- 3.36   1.091% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  22.17 +/- 4.55   0.518% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 7.55, residual support = 239.0:
          HN    LEU   63 - HG    LEU   63   3.49 +/- 0.44  67.921% * 98.3111% (0.76   7.57 239.63) =  99.740%  kept
          QE    PHE   60 - HG    LEU   63   6.02 +/- 1.51  21.326% *  0.7067% (0.20   0.21  10.06) =   0.225%  kept
          HD21  ASN   28 - HG    LEU   63  17.23 +/- 4.67   3.220% *  0.3137% (0.92   0.02   0.19) =   0.015%
          HN    ILE   56 - HG    LEU   63  10.60 +/- 1.94   3.373% *  0.2198% (0.65   0.02   0.02) =   0.011%
          HZ2   TRP   87 - HG    LEU   63  16.05 +/- 2.64   1.074% *  0.2597% (0.76   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HG    LEU   63  16.40 +/- 4.21   2.402% *  0.0945% (0.28   0.02   0.02) =   0.003%
          HN    ALA   84 - HG    LEU   63  17.91 +/- 1.99   0.685% *  0.0945% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.164, support = 2.7, residual support = 9.21:
        T HA    PHE   60 - QD1   LEU   63   3.29 +/- 1.10  34.223% * 61.7623% (0.14 10.00   2.96  10.06) =  90.105%  kept
        T HA    PHE   60 - QD1   LEU   73  10.25 +/- 2.75  10.250% * 12.9638% (0.14 10.00   0.42   2.12) =   5.665%  kept
          HB    THR   94 - QD1   LEU   63  10.05 +/- 3.22   5.913% *  9.9468% (0.97  1.00   0.45   0.02) =   2.507%  kept
          HA    LYS+  65 - QD1   LEU   63   7.59 +/- 0.76   3.534% *  5.2977% (0.57  1.00   0.41   3.44) =   0.798%  kept
          QB    SER   48 - QD1   LEU   63  11.80 +/- 3.93   9.442% *  0.4554% (1.00  1.00   0.02   0.02) =   0.183%  kept
          QB    SER   48 - QD1   LEU   73  13.10 +/- 3.41   7.331% *  0.4554% (1.00  1.00   0.02   0.02) =   0.142%  kept
          HA    LYS+ 121 - QD1   LEU   63  12.52 +/- 3.14   1.749% *  1.6111% (0.92  1.00   0.08   0.02) =   0.120%  kept
          HB    THR   94 - QD1   LEU   73  11.49 +/- 2.17   1.474% *  1.9052% (0.97  1.00   0.09   0.02) =   0.120%  kept
          HA    LYS+ 121 - QD1   LEU  104  11.45 +/- 6.26   3.608% *  0.6845% (0.23  1.00   0.13   0.02) =   0.105%  kept
          HA    LYS+ 121 - QD1   LEU   73  17.00 +/- 4.69   2.354% *  0.4213% (0.92  1.00   0.02   0.02) =   0.042%
          HA    ALA  120 - QD1   LEU   63  11.78 +/- 2.71   1.737% *  0.4317% (0.95  1.00   0.02   0.02) =   0.032%
          HA    LYS+  65 - QD1   LEU   73   9.96 +/- 1.83   2.299% *  0.2584% (0.57  1.00   0.02   0.02) =   0.025%
          HA    ALA  120 - QD1   LEU   73  17.33 +/- 4.36   1.289% *  0.4317% (0.95  1.00   0.02   0.02) =   0.024%
          HA2   GLY   51 - QD1   LEU   63  12.60 +/- 2.98   1.351% *  0.3959% (0.87  1.00   0.02   0.02) =   0.023%
          QB    SER  117 - QD1   LEU   73  16.18 +/- 3.43   1.716% *  0.2768% (0.61  1.00   0.02   0.02) =   0.020%
          QB    SER  117 - QD1   LEU   63  11.68 +/- 2.68   1.358% *  0.2768% (0.61  1.00   0.02   0.02) =   0.016%
          HA2   GLY   16 - QD1   LEU   73  12.95 +/- 2.65   1.014% *  0.2952% (0.65  1.00   0.02   0.02) =   0.013%
          HA2   GLY   51 - QD1   LEU   73  17.16 +/- 3.58   0.648% *  0.3959% (0.87  1.00   0.02   0.02) =   0.011%
          HA2   GLY   16 - QD1   LEU   63  13.28 +/- 2.16   0.757% *  0.2952% (0.65  1.00   0.02   0.02) =   0.010%
          QB    SER   85 - QD1   LEU   73  14.12 +/- 2.67   0.584% *  0.2952% (0.65  1.00   0.02   0.02) =   0.007%
        T HA    PHE   60 - QD1   LEU  104  12.99 +/- 2.57   0.800% *  0.1512% (0.03 10.00   0.02   0.02) =   0.005%
          HA    ALA  120 - QD1   LEU  104  13.89 +/- 4.95   1.010% *  0.1057% (0.23  1.00   0.02   0.02) =   0.005%
          QB    SER  117 - QD1   LEU  104  12.62 +/- 3.40   1.558% *  0.0678% (0.15  1.00   0.02   0.02) =   0.004%
          HB    THR   94 - QD1   LEU  104  13.20 +/- 1.50   0.890% *  0.1078% (0.24  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - QD1   LEU   63  16.43 +/- 2.15   0.319% *  0.2952% (0.65  1.00   0.02   0.02) =   0.004%
          HA    LYS+  65 - QD1   LEU  104  14.44 +/- 3.15   1.190% *  0.0632% (0.14  1.00   0.02   0.02) =   0.003%
          QB    SER   48 - QD1   LEU  104  18.00 +/- 3.45   0.372% *  0.1115% (0.24  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QD1   LEU  104  16.13 +/- 2.18   0.532% *  0.0723% (0.16  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QD1   LEU  104  16.01 +/- 3.35   0.431% *  0.0723% (0.16  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD1   LEU  104  21.20 +/- 4.25   0.268% *  0.0969% (0.21  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.486, support = 3.03, residual support = 17.5:
        T HZ3   TRP   27 - QD1   LEU   73   3.96 +/- 2.34  48.332% * 63.0940% (0.49 10.00   3.49  21.30) =  80.297%  kept
        T HZ3   TRP   27 - QD1   LEU   63  10.04 +/- 3.63  20.389% * 36.5402% (0.49 10.00   1.16   2.18) =  19.618%  kept
        T HZ3   TRP   27 - QD1   LEU  104  11.65 +/- 3.71  11.190% *  0.1544% (0.12 10.00   0.02   0.02) =   0.046%
          HZ    PHE   45 - QD1   LEU   63  11.04 +/- 3.02   7.565% *  0.0941% (0.73  1.00   0.02   0.02) =   0.019%
          HZ    PHE   45 - QD1   LEU   73   9.75 +/- 2.99   7.245% *  0.0941% (0.73  1.00   0.02   0.02) =   0.018%
          HZ    PHE   45 - QD1   LEU  104  11.90 +/- 2.56   5.280% *  0.0230% (0.18  1.00   0.02   0.02) =   0.003%
    Distance limit 3.76 A violated in 2 structures by 0.46 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.856, support = 1.55, residual support = 8.05:
          QD    PHE   60 - QD1   LEU   63   3.60 +/- 1.29  36.599% * 34.8776% (0.87   1.77  10.06) =  65.608%  kept
          HN    LYS+  66 - QD1   LEU   63   5.56 +/- 0.80  11.931% * 25.8812% (0.95   1.21   7.43) =  15.870%  kept
          QD    PHE   60 - QD1   LEU   73   8.32 +/- 2.29   9.170% * 26.4929% (0.87   1.35   2.12) =  12.486%  kept
          QE    PHE   59 - QD1   LEU   63   6.90 +/- 2.54  17.339% *  5.3434% (0.49   0.48   0.02) =   4.762%  kept
          HN    PHE   59 - QD1   LEU   63   6.77 +/- 1.21   6.168% *  1.9225% (0.18   0.48   0.02) =   0.609%  kept
          QE    PHE   59 - QD1   LEU   73  11.89 +/- 3.56   6.013% *  1.0404% (0.49   0.09   0.02) =   0.322%  kept
          HN    LYS+  66 - QD1   LEU   73  11.07 +/- 1.65   1.418% *  3.2570% (0.95   0.15   0.02) =   0.237%  kept
          HN    PHE   59 - QD1   LEU   73  12.62 +/- 3.34   3.273% *  0.3743% (0.18   0.09   0.02) =   0.063%
          HN    LYS+  81 - QD1   LEU   73  13.01 +/- 2.94   1.058% *  0.2387% (0.53   0.02   0.02) =   0.013%
          HN    LYS+  66 - QD1   LEU  104  13.51 +/- 3.42   1.720% *  0.1051% (0.23   0.02   0.02) =   0.009%
          QE    PHE   59 - QD1   LEU  104  11.21 +/- 3.54   2.587% *  0.0541% (0.12   0.02   0.02) =   0.007%
          QD    PHE   60 - QD1   LEU  104  12.04 +/- 2.70   1.308% *  0.0963% (0.21   0.02   0.02) =   0.006%
          HN    LYS+  81 - QD1   LEU   63  16.32 +/- 2.67   0.429% *  0.2387% (0.53   0.02   0.02) =   0.005%
          HN    LYS+  81 - QD1   LEU  104  18.69 +/- 3.04   0.275% *  0.0584% (0.13   0.02   0.02) =   0.001%
          HN    PHE   59 - QD1   LEU  104  14.58 +/- 3.49   0.713% *  0.0194% (0.04   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.742, support = 5.64, residual support = 201.5:
          HN    LEU   63 - QD1   LEU   63   3.46 +/- 0.75  27.963% * 56.9446% (0.76   6.47 239.63) =  83.889%  kept
          HD21  ASN   28 - QD1   LEU   73   7.06 +/- 2.12   5.208% * 16.4386% (0.92   1.55   0.85) =   4.510%  kept
          QE    PHE   60 - QD1   LEU   63   4.65 +/- 1.66  20.972% *  3.5690% (0.20   1.57  10.06) =   3.943%  kept
          HD21  ASN   28 - QD1   LEU   63  14.36 +/- 4.92   6.733% *  9.0620% (0.92   0.85   0.19) =   3.214%  kept
          QE    PHE   60 - QD1   LEU   73   7.78 +/- 2.25   7.694% *  5.0538% (0.20   2.22   2.12) =   2.049%  kept
          HN    LEU   63 - QD1   LEU   73  10.23 +/- 2.49   5.243% *  4.6473% (0.76   0.53   0.14) =   1.284%  kept
          HZ2   TRP   87 - QD1   LEU   73   9.96 +/- 3.90   5.828% *  3.3374% (0.76   0.38   0.10) =   1.025%  kept
          HN    ILE   56 - QD1   LEU   63   8.42 +/- 2.11   4.396% *  0.1490% (0.65   0.02   0.02) =   0.035%
          HD21  ASN   28 - QD1   LEU  104  15.58 +/- 4.52   5.358% *  0.0520% (0.23   0.02   0.02) =   0.015%
          HZ2   TRP   87 - QD1   LEU   63  13.66 +/- 2.87   1.042% *  0.1760% (0.76   0.02   0.02) =   0.010%
          HN    ILE   56 - QD1   LEU   73  14.62 +/- 3.30   0.994% *  0.1490% (0.65   0.02   0.02) =   0.008%
          HN    LYS+ 111 - QD1   LEU   63  13.68 +/- 3.84   1.828% *  0.0640% (0.28   0.02   0.02) =   0.006%
          HN    ALA   84 - QD1   LEU   73  12.39 +/- 2.86   1.091% *  0.0640% (0.28   0.02   0.02) =   0.004%
          HZ2   TRP   87 - QD1   LEU  104  11.71 +/- 2.69   1.376% *  0.0431% (0.19   0.02   0.02) =   0.003%
          HN    LYS+ 111 - QD1   LEU   73  18.34 +/- 3.71   0.704% *  0.0640% (0.28   0.02   0.02) =   0.002%
          HN    ALA   84 - QD1   LEU   63  15.12 +/- 2.48   0.550% *  0.0640% (0.28   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU  104  12.77 +/- 2.75   0.665% *  0.0431% (0.19   0.02   0.02) =   0.002%
          HN    ILE   56 - QD1   LEU  104  17.14 +/- 2.81   0.407% *  0.0365% (0.16   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU  104  12.41 +/- 2.95   1.195% *  0.0112% (0.05   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU  104  16.99 +/- 2.43   0.399% *  0.0157% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  16.14 +/- 2.41   0.355% *  0.0157% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.65 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   2.79 +/- 0.09 100.000% *100.0000% (0.97  10.0   4.22  20.69) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2783 (6.70, 2.84, 53.98 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 3.43, residual support = 46.9:
        T QD    PHE   72 - HA    ALA   64   3.73 +/- 0.79  41.265% * 60.4788% (0.87 10.00   3.56  46.90) =  52.539%  kept
        T HZ    PHE   72 - HA    ALA   64   3.28 +/- 0.95  57.112% * 39.4733% (0.57 10.00   3.29  46.90) =  47.460%  kept
          QE    PHE   45 - HA    ALA   64  11.40 +/- 1.69   1.623% *  0.0479% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.872, support = 1.18, residual support = 3.81:
          HN    LEU   67 - HA    ALA   64   3.14 +/- 0.50  82.415% * 55.0093% (0.87   1.21   3.98) =  95.183%  kept
          QE    PHE   95 - HA    ALA   64   9.87 +/- 2.43   6.891% * 29.7233% (0.98   0.58   0.55) =   4.300%  kept
          HN    THR   23 - HA    ALA   64  14.67 +/- 2.18   1.164% * 11.4093% (0.99   0.22   0.02) =   0.279%  kept
          HE3   TRP   27 - HA    ALA   64  11.13 +/- 2.44   3.599% *  2.2331% (0.57   0.08   0.02) =   0.169%  kept
          HD1   TRP   49 - HA    ALA   64  18.57 +/- 3.78   3.361% *  0.5522% (0.53   0.02   0.02) =   0.039%
          QD    PHE   55 - HA    ALA   64  14.98 +/- 2.38   1.450% *  0.6789% (0.65   0.02   0.02) =   0.021%
          HD2   HIS   22 - HA    ALA   64  14.92 +/- 2.12   1.121% *  0.3939% (0.38   0.02   0.02) =   0.009%
    Distance limit 4.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.651, support = 2.89, residual support = 6.82:
          QG2   VAL   18 - QB    ALA   64   5.07 +/- 3.58  37.180% * 46.7684% (0.84   2.08   8.74) =  59.724%  kept
          QD2   LEU   73 - QB    ALA   64   4.93 +/- 0.81  25.201% * 43.6107% (0.38   4.32   4.24) =  37.749%  kept
          QD1   ILE   19 - QB    ALA   64   7.43 +/- 1.70   8.180% *  7.6585% (0.38   0.76   0.02) =   2.152%  kept
          QG2   THR   46 - QB    ALA   64   7.58 +/- 1.85   8.834% *  0.3906% (0.73   0.02   0.02) =   0.119%  kept
          QG1   VAL   43 - QB    ALA   64   7.35 +/- 1.20   6.118% *  0.5273% (0.98   0.02   0.02) =   0.111%  kept
          QG1   VAL   41 - QB    ALA   64   8.05 +/- 1.36   5.256% *  0.5332% (0.99   0.02   0.02) =   0.096%
          HG    LEU   31 - QB    ALA   64  10.37 +/- 2.10   2.601% *  0.2830% (0.53   0.02   0.02) =   0.025%
          QD1   ILE   56 - QB    ALA   64   8.70 +/- 1.36   4.237% *  0.0942% (0.18   0.02   0.02) =   0.014%
          QD2   LEU  104 - QB    ALA   64  11.02 +/- 1.71   2.393% *  0.1341% (0.25   0.02   0.02) =   0.011%
    Distance limit 2.97 A violated in 3 structures by 0.54 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.86, support = 1.78, residual support = 5.55:
          HB3   LEU   67 - QB    ALA   64   4.49 +/- 0.83  22.222% * 15.3002% (0.99   1.27   3.98) =  25.806%  kept
          QB    ALA   61 - QB    ALA   64   4.19 +/- 0.58  24.412% * 13.4523% (0.92   1.20   6.35) =  24.925%  kept
          QG    LYS+  66 - QB    ALA   64   6.11 +/- 0.73   9.065% * 28.5174% (0.98   2.39   9.43) =  19.620%  kept
          HG    LEU   73 - QB    ALA   64   6.63 +/- 1.19   7.053% * 27.9818% (0.87   2.65   4.24) =  14.979%  kept
          HG    LEU   67 - QB    ALA   64   4.96 +/- 1.23  18.971% *  7.9450% (0.28   2.35   3.98) =  11.440%  kept
          HG12  ILE   19 - QB    ALA   64   7.91 +/- 2.52   6.925% *  5.9735% (0.65   0.76   0.02) =   3.140%  kept
          HG    LEU   40 - QB    ALA   64   7.22 +/- 1.36   5.627% *  0.0914% (0.38   0.02   0.02) =   0.039%
          HG    LEU   80 - QB    ALA   64  13.42 +/- 2.94   1.131% *  0.1860% (0.76   0.02   0.02) =   0.016%
          QB    ALA  110 - QB    ALA   64  13.70 +/- 2.51   0.907% *  0.1768% (0.73   0.02   0.02) =   0.012%
          HB3   LEU  115 - QB    ALA   64  11.64 +/- 1.63   1.417% *  0.0914% (0.38   0.02   0.02) =   0.010%
          HB2   LEU   80 - QB    ALA   64  12.78 +/- 2.32   1.133% *  0.0607% (0.25   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - QB    ALA   64  17.27 +/- 1.69   0.333% *  0.1860% (0.76   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QB    ALA   64  13.49 +/- 2.26   0.804% *  0.0376% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.89 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 = 0.881, support = 2.27, residual support = 5.58:
          HB3   LEU   67 - HA    ALA   64   3.28 +/- 1.33  37.186% * 27.2385% (0.99   2.04   3.98) =  52.204%  kept
          QG    LYS+  66 - HA    ALA   64   5.83 +/- 1.04  16.037% * 34.3546% (0.98   2.60   9.43) =  28.395%  kept
          HG    LEU   67 - HA    ALA   64   4.17 +/- 1.46  25.305% * 10.8849% (0.28   2.91   3.98) =  14.196%  kept
          QB    ALA   61 - HA    ALA   64   6.43 +/- 0.47   7.578% *  6.4730% (0.92   0.52   6.35) =   2.528%  kept
          HG    LEU   73 - HA    ALA   64   9.56 +/- 1.55   2.425% * 19.1650% (0.87   1.64   4.24) =   2.395%  kept
          HG12  ILE   19 - HA    ALA   64  10.36 +/- 2.57   4.910% *  0.9656% (0.65   0.11   0.02) =   0.244%  kept
          HG    LEU   40 - HA    ALA   64   8.25 +/- 1.06   3.727% *  0.1011% (0.38   0.02   0.02) =   0.019%
          HG    LEU   80 - HA    ALA   64  17.37 +/- 3.44   0.510% *  0.2059% (0.76   0.02   0.02) =   0.005%
          QB    ALA  110 - HA    ALA   64  16.87 +/- 3.28   0.379% *  0.1956% (0.73   0.02   0.02) =   0.004%
          HB3   LEU  115 - HA    ALA   64  14.32 +/- 2.55   0.717% *  0.1011% (0.38   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HA    ALA   64  20.55 +/- 2.03   0.244% *  0.2059% (0.76   0.02   0.02) =   0.003%
          HB2   LEU   80 - HA    ALA   64  16.57 +/- 2.65   0.468% *  0.0672% (0.25   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    ALA   64  15.94 +/- 3.29   0.515% *  0.0416% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 3.67, residual support = 46.8:
        T HB3   PHE   72 - QB    ALA   64   3.98 +/- 0.77  46.737% * 99.3598% (0.76 10.00   3.67  46.90) =  99.881%  kept
          HB2   ASP-  44 - QB    ALA   64   5.12 +/- 1.91  35.755% *  0.1128% (0.87  1.00   0.02   0.02) =   0.087%
          QG    GLU-  14 - QB    ALA   64  10.89 +/- 2.40   5.385% *  0.1086% (0.84  1.00   0.02   0.02) =   0.013%
          QG    GLU-  15 - QB    ALA   64  11.06 +/- 3.24   4.374% *  0.1230% (0.95  1.00   0.02   0.02) =   0.012%
          HG12  ILE  119 - QB    ALA   64  10.78 +/- 1.15   3.335% *  0.0443% (0.34  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - QB    ALA   64  16.71 +/- 2.39   0.828% *  0.1166% (0.90  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - QB    ALA   64  14.96 +/- 1.49   1.052% *  0.0893% (0.69  1.00   0.02   0.02) =   0.002%
          HG2   MET   92 - QB    ALA   64  14.60 +/- 2.36   1.357% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - QB    ALA   64  15.87 +/- 2.37   1.176% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.49 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.3, residual support = 6.34:
        T HA    ALA   61 - QB    ALA   64   3.33 +/- 0.73  65.251% * 98.9605% (1.00 10.00   2.30   6.35) =  99.850%  kept
          HD2   PRO   68 - QB    ALA   64   6.80 +/- 0.75   9.529% *  0.9469% (0.92  1.00   0.21   0.02) =   0.140%  kept
          HA    VAL   75 - QB    ALA   64   7.12 +/- 1.88  19.779% *  0.0247% (0.25  1.00   0.02   0.02) =   0.008%
          HD3   PRO   58 - QB    ALA   64  10.23 +/- 1.05   2.565% *  0.0483% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QB    ALA   64  11.56 +/- 2.08   2.876% *  0.0196% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 2.79, residual support = 8.68:
          HA    VAL   18 - QB    ALA   64   6.32 +/- 4.32  40.139% * 95.2257% (0.90   2.81   8.74) =  99.338%  kept
          HA    VAL   70 - QB    ALA   64   5.88 +/- 1.14  30.830% *  0.3104% (0.41   0.02   0.02) =   0.249%  kept
          HA    SER   48 - QB    ALA   64  12.82 +/- 2.48   4.861% *  0.7141% (0.95   0.02   0.02) =   0.090%
          HA    GLU-  29 - QB    ALA   64  13.84 +/- 2.02   4.768% *  0.6548% (0.87   0.02   0.02) =   0.081%
          HA    LYS+  33 - QB    ALA   64  13.91 +/- 1.90   4.093% *  0.5482% (0.73   0.02   0.02) =   0.058%
          HA    GLN   32 - QB    ALA   64  14.21 +/- 1.90   3.519% *  0.5482% (0.73   0.02   0.02) =   0.050%
          HD2   PRO   52 - QB    ALA   64  13.83 +/- 2.28   4.182% *  0.3972% (0.53   0.02   0.02) =   0.043%
          HA    GLN  116 - QB    ALA   64  12.74 +/- 1.17   4.198% *  0.3104% (0.41   0.02   0.02) =   0.034%
          HB2   SER   82 - QB    ALA   64  17.07 +/- 2.24   1.626% *  0.7141% (0.95   0.02   0.02) =   0.030%
          HA    ALA   88 - QB    ALA   64  17.29 +/- 1.63   1.785% *  0.5769% (0.76   0.02   0.02) =   0.027%
    Distance limit 3.74 A violated in 6 structures by 0.92 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.503, support = 1.13, residual support = 0.975:
        T HA    GLN   17 - QB    ALA   64   8.04 +/- 4.29  34.258% * 93.9374% (0.49 10.00   1.17   1.01) =  96.337%  kept
        T HA    VAL   42 - QB    ALA   64   7.03 +/- 1.04  32.603% *  3.2242% (0.98 10.00   0.02   0.02) =   3.147%  kept
        T HA    PHE   55 - QB    ALA   64  13.09 +/- 1.80   5.948% *  2.2595% (0.69 10.00   0.02   0.02) =   0.402%  kept
          HA    THR   46 - QB    ALA   64  10.33 +/- 2.10  15.132% *  0.1352% (0.41  1.00   0.02   0.02) =   0.061%
          HA    SER   37 - QB    ALA   64  14.14 +/- 1.65   4.821% *  0.1601% (0.49  1.00   0.02   0.02) =   0.023%
          HA    ALA  110 - QB    ALA   64  16.11 +/- 3.19   4.305% *  0.1235% (0.38  1.00   0.02   0.02) =   0.016%
          HA    GLN   90 - QB    ALA   64  15.86 +/- 1.87   2.933% *  0.1601% (0.49  1.00   0.02   0.02) =   0.014%
    Distance limit 4.09 A violated in 10 structures by 1.87 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.24, residual support = 8.73:
          HN    VAL   18 - QB    ALA   64   7.14 +/- 4.15  62.476% * 99.5972% (1.00   2.25   8.74) =  99.892%  kept
          HN    GLU-  29 - QB    ALA   64  12.99 +/- 2.02  28.044% *  0.1557% (0.18   0.02   0.02) =   0.070%
          HN    SER   13 - QB    ALA   64  15.18 +/- 2.61   9.479% *  0.2472% (0.28   0.02   0.02) =   0.038%
    Distance limit 3.91 A violated in 10 structures by 3.34 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.824, support = 5.77, residual support = 46.9:
        T QD    PHE   72 - QB    ALA   64   2.71 +/- 0.32  49.995% * 84.9840% (0.87 10.00   5.84  46.90) =  85.513%  kept
          HZ    PHE   72 - QB    ALA   64   2.99 +/- 1.17  48.145% * 14.9487% (0.57  1.00   5.39  46.90) =  14.485%  kept
          QE    PHE   45 - QB    ALA   64   8.77 +/- 1.75   1.860% *  0.0673% (0.69  1.00   0.02   0.02) =   0.003%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.7:
      O   HN    ALA   64 - QB    ALA   64   2.07 +/- 0.08 100.000% *100.0000% (0.57  10.0   4.22  20.69) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 159.0:
      O   HN    LYS+  65 - HA    LYS+  65   2.79 +/- 0.06  99.393% * 99.9887% (0.71  10.0   6.08 159.04) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  16.68 +/- 2.70   0.607% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2798 (8.65, 3.96, 58.29 ppm):
    6 chemical-shift based assignments, quality = 0.728, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65  13.48 +/- 5.65  27.482% * 34.8898% (0.87   0.02   0.02) =  65.433%  kept
          HN    SER  117 - HA    LYS+  65  18.97 +/- 1.67   6.082% * 28.1870% (0.71   0.02   0.02) =  11.698%  kept
          HN    SER  117 - HA    LYS+ 121   9.16 +/- 0.79  44.830% *  3.1809% (0.08   0.02   0.02) =   9.731%  kept
          HN    SER   82 - HA    LYS+  65  21.13 +/- 3.56   5.164% * 26.7825% (0.67   0.02   0.02) =   9.437%  kept
          HN    SER   82 - HA    LYS+ 121  27.54 +/- 5.42  11.490% *  3.0224% (0.08   0.02   0.02) =   2.370%  kept
          HN    GLY   16 - HA    LYS+ 121  23.58 +/- 5.26   4.952% *  3.9373% (0.10   0.02   0.02) =   1.331%  kept
    Distance limit 3.48 A violated in 20 structures by 4.97 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.88, residual support = 29.3:
          HN    LYS+  65 - QB    ALA   64   2.88 +/- 0.19 100.000% *100.0000% (0.31   4.88  29.35) = 100.000%  kept
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.06, residual support = 46.9:
          QE    PHE   72 - HA    ALA   64   2.69 +/- 0.53  99.001% * 99.3431% (0.65   4.06  46.90) =  99.993%  kept
          HD22  ASN   28 - HA    ALA   64  15.19 +/- 3.56   0.999% *  0.6569% (0.87   0.02   0.02) =   0.007%
    Distance limit 3.52 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 = 0.8, support = 1.95, residual support = 4.15:
          HA    ASP-  62 - QB    LYS+  65   2.83 +/- 1.03  94.425% * 98.0032% (0.80   1.95   4.15) =  99.968%  kept
          HB    THR   26 - QB    LYS+  65  14.94 +/- 3.78   2.373% *  0.7110% (0.57   0.02   0.02) =   0.018%
          HA    SER   82 - QB    LYS+  65  20.54 +/- 3.31   0.902% *  0.8124% (0.65   0.02   0.02) =   0.008%
          HA    GLU-  25 - QB    LYS+  65  17.80 +/- 4.47   1.545% *  0.1938% (0.15   0.02   0.02) =   0.003%
          HA    SER  117 - QB    LYS+  65  16.10 +/- 1.78   0.756% *  0.2796% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 1 structures by 0.22 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.66, residual support = 159.0:
      O   HN    LYS+  65 - QB    LYS+  65   2.13 +/- 0.14 100.000% *100.0000% (0.76  10.0   6.66 159.04) = 100.000%  kept
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.529, support = 5.93, residual support = 29.7:
          HN    LYS+  66 - QB    LYS+  65   3.09 +/- 0.28  86.426% * 92.6233% (0.53   5.98  29.94) =  99.240%  kept
          QD    PHE   60 - QB    LYS+  65   7.02 +/- 0.95   8.958% *  6.7399% (0.97   0.24   0.02) =   0.749%  kept
          HN    LYS+  81 - QB    LYS+  65  17.73 +/- 3.41   1.101% *  0.5571% (0.95   0.02   0.02) =   0.008%
          QE    PHE   59 - QB    LYS+  65   9.47 +/- 1.03   3.515% *  0.0797% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.08 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.38, residual support = 159.0:
          HN    LYS+  65 - HG2   LYS+  65   3.78 +/- 0.58 100.000% *100.0000% (0.31   5.38 159.04) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.83, support = 5.13, residual support = 139.5:
      O T HA    LYS+  65 - HG3   LYS+  65   3.19 +/- 0.54  52.935% * 57.2471% (0.87  10.0 10.00   5.27 159.04) =  86.462%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.66 +/- 0.56  12.018% * 39.1477% (0.59   1.0 10.00   4.22  14.92) =  13.423%  kept
        T HA    LYS+  65 - HG3   LYS+  33  16.42 +/- 3.81   4.440% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.063%
        T HA    GLN   32 - HG3   LYS+ 102  18.57 +/- 5.58   0.846% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.009%
        T HA    GLN   32 - HG3   LYS+  65  21.03 +/- 3.86   0.618% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LYS+ 121 - HG3   LYS+  33  23.73 +/- 6.99   1.864% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HG3   LYS+ 102  23.37 +/- 3.08   0.228% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HG3   LYS+  33  13.89 +/- 3.55   2.062% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HG3   LYS+ 106  18.73 +/- 2.02   0.389% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   PRO   52 - HG3   LYS+ 106  18.79 +/- 2.77   0.341% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+  65  18.45 +/- 3.40   0.749% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  65  14.77 +/- 5.25   1.212% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  20.73 +/- 3.45   0.293% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   48 - HG3   LYS+  65  16.25 +/- 4.93   2.855% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 106  14.40 +/- 4.92   1.217% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 102  19.81 +/- 7.31   0.581% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG3   LYS+  65  16.74 +/- 5.01   1.403% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HG3   LYS+  65  17.76 +/- 3.55   0.613% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG3   LYS+ 102  23.86 +/- 5.15   0.681% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+ 106  12.62 +/- 2.45   1.569% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG3   LYS+  33  24.83 +/- 6.72   1.017% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG3   LYS+  65  17.34 +/- 3.46   0.799% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+ 102  18.27 +/- 3.54   0.505% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+ 106  14.15 +/- 2.20   0.977% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+  65  21.59 +/- 3.60   0.359% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+  65  15.69 +/- 3.45   1.237% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.50 +/- 1.43   2.907% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  18.67 +/- 3.35   0.378% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  22.38 +/- 4.43   0.787% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  21.92 +/- 4.12   0.237% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  23.48 +/- 3.92   0.252% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.26 +/- 4.32   0.351% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  16.41 +/- 3.54   0.624% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  26.76 +/- 3.64   0.153% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  23.00 +/- 5.56   0.276% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  23.32 +/- 3.94   0.243% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.75 +/- 3.01   0.132% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  27.57 +/- 4.04   0.097% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  19.03 +/- 3.67   0.363% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  17.68 +/- 3.51   0.514% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.48 +/- 1.58   0.361% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  26.58 +/- 4.66   0.122% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  24.21 +/- 4.59   0.187% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  20.81 +/- 1.64   0.211% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.346, support = 2.76, residual support = 23.7:
          HN    ASP- 105 - HG3   LYS+ 106   4.33 +/- 0.51  72.390% * 76.0427% (0.34   2.85  24.58) =  96.487%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.39 +/- 1.44  10.591% * 18.0458% (0.65   0.35   0.02) =   3.350%  kept
          HN    ALA   88 - HG3   LYS+ 106  11.74 +/- 2.59   7.308% *  0.3772% (0.24   0.02   0.02) =   0.048%
          HN    ASP- 105 - HG3   LYS+  65  18.39 +/- 3.03   1.842% *  1.2713% (0.80   0.02   0.02) =   0.041%
          HN    ASP- 105 - HG3   LYS+  33  19.16 +/- 2.91   1.139% *  1.0978% (0.69   0.02   0.02) =   0.022%
          HN    ALA   88 - HG3   LYS+ 102  17.55 +/- 2.92   1.458% *  0.7315% (0.46   0.02   0.02) =   0.019%
          HN    ALA   88 - HG3   LYS+  65  22.35 +/- 3.71   0.746% *  0.8988% (0.57   0.02   0.02) =   0.012%
          HN    ALA   88 - HG3   LYS+  33  23.10 +/- 3.43   0.618% *  0.7762% (0.49   0.02   0.02) =   0.008%
          HN    PHE   55 - HG3   LYS+  65  16.05 +/- 2.07   1.855% *  0.2450% (0.15   0.02   0.02) =   0.008%
          HN    PHE   55 - HG3   LYS+ 106  18.56 +/- 2.21   1.308% *  0.1028% (0.06   0.02   0.02) =   0.002%
          HN    PHE   55 - HG3   LYS+  33  26.36 +/- 2.98   0.410% *  0.2115% (0.13   0.02   0.02) =   0.002%
          HN    PHE   55 - HG3   LYS+ 102  27.51 +/- 3.11   0.335% *  0.1993% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.17, residual support = 118.0:
      O   HN    LYS+  66 - HA    LYS+  66   2.90 +/- 0.04  95.548% * 99.6126% (0.53  10.0   5.17 118.02) =  99.994%  kept
          QD    PHE   60 - HA    LYS+  66  10.14 +/- 0.55   2.302% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          HN    LYS+  81 - HA    LYS+  66  22.36 +/- 3.85   0.454% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
          QE    PHE   59 - HA    LYS+  66  12.62 +/- 2.38   1.696% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.34, residual support = 118.0:
      O   HN    LYS+  66 - QB    LYS+  66   2.43 +/- 0.31  94.374% * 99.6126% (0.53  10.0   5.34 118.02) =  99.993%  kept
          QD    PHE   60 - QB    LYS+  66   8.25 +/- 0.65   2.648% *  0.1827% (0.97   1.0   0.02   0.02) =   0.005%
          HN    LYS+  81 - QB    LYS+  66  19.64 +/- 3.09   0.472% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
          QE    PHE   59 - QB    LYS+  66  10.00 +/- 2.70   2.506% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
    Distance limit 3.18 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 = 0.519, support = 4.93, residual support = 116.6:
          HN    LYS+  66 - QG    LYS+  66   2.88 +/- 0.80  67.620% * 93.3262% (0.53   4.95 118.02) =  98.639%  kept
          HN    LYS+  66 - HG    LEU   67   5.80 +/- 1.00  16.439% *  5.0956% (0.04   3.51  14.08) =   1.309%  kept
          QD    PHE   60 - QG    LYS+  66   8.41 +/- 0.93   3.391% *  0.6911% (0.97   0.02   0.02) =   0.037%
          QE    PHE   59 - QG    LYS+  66  10.02 +/- 2.49   5.005% *  0.0969% (0.14   0.02   0.02) =   0.008%
          QD    PHE   60 - HG    LEU   67   8.84 +/- 1.91   4.658% *  0.0532% (0.07   0.02   0.02) =   0.004%
          HN    LYS+  81 - QG    LYS+  66  19.74 +/- 3.29   0.336% *  0.6774% (0.95   0.02   0.02) =   0.004%
          QE    PHE   59 - HG    LEU   67  13.26 +/- 2.62   2.235% *  0.0075% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  21.50 +/- 2.52   0.317% *  0.0521% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.88, residual support = 117.9:
          HN    LYS+  66 - QD    LYS+  66   4.14 +/- 0.53  56.605% * 98.1928% (0.53   4.89 118.02) =  99.894%  kept
          QD    PHE   60 - QD    LYS+  66   9.51 +/- 1.19   5.094% *  0.7371% (0.97   0.02   0.02) =   0.067%
          QE    PHE   59 - QD    LYS+  66  10.95 +/- 2.77   7.557% *  0.1034% (0.14   0.02   0.02) =   0.014%
          HN    LYS+  81 - QD    LYS+  66  20.97 +/- 3.35   0.665% *  0.7225% (0.95   0.02   0.02) =   0.009%
          QD    PHE   60 - HD2   LYS+ 121  12.82 +/- 2.20   4.409% *  0.0917% (0.12   0.02   0.02) =   0.007%
          QE    PHE   59 - HD2   LYS+ 121   6.38 +/- 1.34  22.728% *  0.0129% (0.02   0.02   0.02) =   0.005%
          HN    LYS+  81 - HD2   LYS+ 121  25.17 +/- 4.50   1.059% *  0.0898% (0.12   0.02   0.02) =   0.002%
          HN    LYS+  66 - HD2   LYS+ 121  15.09 +/- 3.23   1.882% *  0.0500% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.29 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.488, support = 3.61, residual support = 58.3:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  65.803% * 41.2193% (0.47  10.0 10.00   3.06  59.32) =  70.163%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.56 +/- 0.27  23.122% * 46.2685% (0.53  10.0  1.00   4.96  59.32) =  27.673%  kept
          QG    LYS+  66 - HB2   LEU   67   5.72 +/- 1.51   7.496% * 11.0453% (0.61   1.0  1.00   4.15  14.08) =   2.142%  kept
        T HG    LEU   40 - HB2   LEU   67   7.96 +/- 1.99   1.314% *  0.5322% (0.61   1.0 10.00   0.02   0.02) =   0.018%
        T HB3   LEU  115 - HB2   LEU   67  16.01 +/- 2.91   0.164% *  0.5322% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HB2   LEU   67   8.40 +/- 1.04   0.719% *  0.0310% (0.35   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - HB2   LEU   67  16.88 +/- 2.68   0.113% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HB2   LEU   67  11.29 +/- 1.57   0.302% *  0.0615% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  11.02 +/- 2.68   0.534% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  20.54 +/- 3.10   0.053% *  0.0636% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  18.21 +/- 3.80   0.178% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  15.92 +/- 3.13   0.135% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  18.89 +/- 3.28   0.067% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.7, support = 3.24, residual support = 59.2:
      O T QD1   LEU   67 - HB2   LEU   67   2.41 +/- 0.33  80.774% * 97.7716% (0.70  10.0 10.00   3.25  59.32) =  99.829%  kept
          QD2   LEU   71 - HB2   LEU   67   7.10 +/- 1.39   7.644% *  0.9712% (0.22   1.0  1.00   0.62   0.02) =   0.094%
        T QD2   LEU   40 - HB2   LEU   67   7.66 +/- 2.07   5.700% *  0.9930% (0.71   1.0 10.00   0.02   0.02) =   0.072%
          HG3   LYS+  74 - HB2   LEU   67  11.85 +/- 3.11   2.825% *  0.0811% (0.58   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   75 - HB2   LEU   67  10.07 +/- 1.57   2.042% *  0.0696% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HB2   LEU   67  14.35 +/- 2.28   0.593% *  0.0909% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   67  15.53 +/- 2.37   0.422% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 59.3:
          HA    LEU   67 - QD2   LEU   67   2.64 +/- 0.73  97.918% * 98.8214% (0.53   2.76  59.32) =  99.975%  kept
          HA    ASP-  76 - QD2   LEU   67  12.61 +/- 1.82   2.082% *  1.1786% (0.87   0.02   0.02) =   0.025%
    Distance limit 2.98 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 2.95, residual support = 59.2:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  77.456% * 96.8242% (0.73  10.0  1.00   2.96  59.32) =  99.882%  kept
        T HG    LEU   40 - QD1   LEU   67   6.41 +/- 1.79   6.749% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.073%
        T HB2   LYS+  74 - QD1   LEU   67   8.81 +/- 2.39   2.923% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.016%
          HB3   LEU   40 - QD1   LEU   67   7.77 +/- 1.83   7.511% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.012%
        T HG    LEU  115 - QD1   LEU   67  13.70 +/- 2.66   0.563% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T HG    LEU   73 - QD1   LEU   67   9.23 +/- 1.66   1.514% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA  120 - QD1   LEU   67  13.28 +/- 3.00   0.621% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD1   LEU   67  12.93 +/- 2.87   0.908% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   67  10.95 +/- 1.93   1.538% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  16.63 +/- 2.72   0.217% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.323, support = 3.22, residual support = 58.4:
      O T HB2   LEU   67 - QD1   LEU   67   2.41 +/- 0.33  76.717% * 75.9863% (0.31  10.0 10.00   3.25  59.32) =  97.605%  kept
          HG2   PRO   68 - QD1   LEU   67   6.52 +/- 0.98   6.137% * 22.9530% (0.92   1.0  1.00   2.02  19.40) =   2.359%  kept
          HB    ILE   19 - QD1   LEU   67   9.61 +/- 2.78   4.169% *  0.2136% (0.87   1.0  1.00   0.02   0.02) =   0.015%
          HB2   GLN   17 - QD1   LEU   67   9.77 +/- 3.55   5.802% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LEU  115 - QD1   LEU   67  13.46 +/- 3.05   2.199% *  0.1691% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          QB    GLU- 114 - QD1   LEU   67  15.05 +/- 3.15   1.005% *  0.1971% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - QD1   LEU   67  11.33 +/- 3.58   2.059% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QD1   LEU   67  13.41 +/- 2.03   0.633% *  0.1788% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - QD1   LEU   67  17.97 +/- 4.24   0.893% *  0.0548% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD1   LEU   67  16.94 +/- 2.97   0.387% *  0.1104% (0.45   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 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.865, support = 3.14, residual support = 59.2:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  67.810% * 98.2403% (0.87  10.0  1.00   3.15  59.32) =  99.692%  kept
          QD2   LEU   67 - QG    LYS+  66   5.08 +/- 1.40  13.964% *  1.0486% (0.07   1.0  1.00   2.77  14.08) =   0.219%  kept
        T QD1   LEU   40 - HG    LEU   67   6.41 +/- 2.07   8.563% *  0.6869% (0.61   1.0 10.00   0.02   0.02) =   0.088%
          QD1   LEU   40 - QG    LYS+  66   9.17 +/- 2.16   5.850% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG    LEU   67  13.03 +/- 2.58   0.500% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   9.56 +/- 3.34   3.313% *  0.0013% (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 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.742, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  11.61 +/- 2.07  28.970% * 52.9912% (0.98   0.02   0.02) =  51.183%  kept
          QG1   VAL   83 - QD1   LEU   67  12.04 +/- 2.38  26.563% * 34.9728% (0.65   0.02   0.02) =  30.973%  kept
          QD1   LEU  104 - QD1   LEU   67   9.95 +/- 3.29  44.468% * 12.0360% (0.22   0.02   0.02) =  17.845%  kept
    Distance limit 3.18 A violated in 20 structures by 4.98 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.851, support = 3.05, residual support = 26.4:
        T HZ    PHE   72 - QD1   LEU   67   3.56 +/- 0.78  53.640% * 75.7718% (0.97 10.00   3.45  26.42) =  79.448%  kept
        T QD    PHE   72 - QD1   LEU   67   3.88 +/- 0.94  43.430% * 24.2087% (0.41 10.00   1.50  26.42) =  20.551%  kept
          QE    PHE   45 - QD1   LEU   67   9.82 +/- 1.63   2.930% *  0.0196% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 3.92, residual support = 26.4:
          QE    PHE   72 - QD1   LEU   67   2.65 +/- 0.77  90.944% * 99.2371% (0.80   3.92  26.42) =  99.971%  kept
          HN    ALA   47 - QD1   LEU   67  12.91 +/- 2.32   2.392% *  0.5676% (0.90   0.02   0.02) =   0.015%
          QD    PHE   95 - QD1   LEU   67   8.80 +/- 2.53   6.663% *  0.1953% (0.31   0.02   0.02) =   0.014%
    Distance limit 3.72 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.653, support = 0.02, residual support = 0.02:
        T HA    ARG+  54 - HG    LEU   67  17.17 +/- 3.38   7.523% * 57.9196% (0.73 10.00   0.02   0.02) =  64.749%  kept
        T HA    LEU  115 - HG    LEU   67  17.37 +/- 3.41   5.410% * 15.7849% (0.20 10.00   0.02   0.02) =  12.690%  kept
          HA    GLU-  36 - HG    LEU   67  17.98 +/- 3.52   6.019% *  7.5452% (0.95  1.00   0.02   0.02) =   6.748%  kept
          HA    ALA  124 - HG    LEU   67  20.18 +/- 5.86   6.776% *  6.6623% (0.84  1.00   0.02   0.02) =   6.708%  kept
          HA    LYS+  81 - HG    LEU   67  21.12 +/- 2.64   2.554% *  7.9057% (0.99  1.00   0.02   0.02) =   3.000%  kept
          HA    ASN   28 - HG    LEU   67  16.27 +/- 4.20  10.172% *  1.7758% (0.22  1.00   0.02   0.02) =   2.684%  kept
          HA    ALA  124 - QG    LYS+  66  16.46 +/- 5.87  14.739% *  0.5129% (0.06  1.00   0.02   0.02) =   1.123%  kept
          HA    ARG+  54 - QG    LYS+  66  13.65 +/- 2.80  14.085% *  0.4459% (0.06  1.00   0.02   0.02) =   0.933%  kept
          HA    LYS+  81 - QG    LYS+  66  19.33 +/- 3.41   6.371% *  0.6086% (0.08  1.00   0.02   0.02) =   0.576%  kept
          HA    GLU-  36 - QG    LYS+  66  20.49 +/- 3.78   4.279% *  0.5808% (0.07  1.00   0.02   0.02) =   0.369%  kept
          HA    LEU  115 - QG    LYS+  66  13.84 +/- 3.40  13.141% *  0.1215% (0.02  1.00   0.02   0.02) =   0.237%  kept
          HA    ASN   28 - QG    LYS+  66  17.41 +/- 4.35   8.931% *  0.1367% (0.02  1.00   0.02   0.02) =   0.181%  kept
    Distance limit 3.99 A violated in 19 structures by 4.47 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.7, residual support = 59.1:
      O   HA    LEU   67 - HG    LEU   67   3.40 +/- 0.51  67.723% * 98.0489% (0.15  10.0   3.70  59.32) =  99.447%  kept
          HA    LEU   67 - QG    LYS+  66   5.04 +/- 0.95  27.531% *  1.2906% (0.01   1.0   3.42  14.08) =   0.532%  kept
          HA    ASP-  76 - HG    LEU   67  14.26 +/- 2.13   2.038% *  0.6133% (0.97   1.0   0.02   0.02) =   0.019%
          HA    ASP-  76 - QG    LYS+  66  13.00 +/- 2.98   2.708% *  0.0472% (0.07   1.0   0.02   0.02) =   0.002%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.586, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - HG    LEU   67  12.84 +/- 3.03   8.853% * 26.7757% (0.87   0.02   0.02) =  32.968%  kept
          QD    PHE   55 - HG    LEU   67  16.90 +/- 3.77   6.701% * 24.7171% (0.80   0.02   0.02) =  23.037%  kept
          QE    PHE   95 - HG    LEU   67  12.05 +/- 3.17  10.973% * 11.5851% (0.38   0.02   0.02) =  17.681%  kept
          QD    PHE   60 - HG    LEU   67   8.84 +/- 1.91  17.451% *  5.4059% (0.18   0.02   0.02) =  13.121%  kept
          HN    THR   23 - HG    LEU   67  16.91 +/- 2.50   2.626% * 10.5293% (0.34   0.02   0.02) =   3.845%  kept
          HN    LYS+  81 - HG    LEU   67  21.50 +/- 2.52   1.128% * 13.8391% (0.45   0.02   0.02) =   2.172%  kept
          HE3   TRP   27 - QG    LYS+  66  14.16 +/- 3.03   7.277% *  2.0612% (0.07   0.02   0.02) =   2.086%  kept
          QE    PHE   95 - QG    LYS+  66  10.17 +/- 2.85  14.868% *  0.8918% (0.03   0.02   0.02) =   1.844%  kept
          QD    PHE   55 - QG    LYS+  66  13.37 +/- 2.10   5.132% *  1.9027% (0.06   0.02   0.02) =   1.358%  kept
          QD    PHE   60 - QG    LYS+  66   8.41 +/- 0.93  18.177% *  0.4162% (0.01   0.02   0.02) =   1.052%  kept
          HN    THR   23 - QG    LYS+  66  16.32 +/- 3.71   4.920% *  0.8106% (0.03   0.02   0.02) =   0.555%  kept
          HN    LYS+  81 - QG    LYS+  66  19.74 +/- 3.29   1.895% *  1.0653% (0.03   0.02   0.02) =   0.281%  kept
    Distance limit 3.78 A violated in 17 structures by 2.57 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.297, support = 3.05, residual support = 59.0:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  93.755% * 74.1860% (0.29  10.0 10.00   3.06  59.32) =  99.097%  kept
          HG2   PRO   68 - HB3   LEU   67   6.18 +/- 0.79   2.716% * 22.9021% (0.87   1.0  1.00   2.06  19.40) =   0.886%  kept
        T HB    ILE   19 - HB3   LEU   67  11.82 +/- 2.31   0.430% *  2.0849% (0.82   1.0 10.00   0.02   0.02) =   0.013%
          HB2   GLN   17 - HB3   LEU   67  10.99 +/- 3.51   1.195% *  0.0668% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HB3   LEU   67  16.66 +/- 3.66   0.395% *  0.1651% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HB3   LEU   67  12.96 +/- 4.04   0.939% *  0.0668% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HB3   LEU   67  18.67 +/- 3.55   0.153% *  0.1925% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  15.96 +/- 1.57   0.137% *  0.1745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  20.78 +/- 4.21   0.131% *  0.1078% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  22.27 +/- 4.72   0.149% *  0.0535% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  14.02 +/- 1.64 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.68 A violated in 20 structures by 10.34 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.45, residual support = 59.3:
      O   HN    LEU   67 - HB3   LEU   67   2.88 +/- 0.58  93.483% * 99.4441% (0.54  10.0   4.45  59.32) =  99.995%  kept
          HD2   HIS   22 - HB3   LEU   67  16.72 +/- 2.17   0.700% *  0.1722% (0.93   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   LEU   67  18.58 +/- 3.98   0.773% *  0.1524% (0.82   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   LEU   67  11.53 +/- 3.26   3.322% *  0.0348% (0.19   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB3   LEU   67  20.14 +/- 3.94   0.686% *  0.1575% (0.85   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   LEU   67  16.53 +/- 2.75   1.037% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.08, residual support = 59.3:
      O   HA    LEU   67 - HB2   LEU   67   2.72 +/- 0.23  98.913% * 99.8354% (0.38  10.0   5.08  59.32) =  99.998%  kept
          HA    ASP-  76 - HB2   LEU   67  13.83 +/- 1.92   1.087% *  0.1646% (0.63   1.0   0.02   0.02) =   0.002%
    Distance limit 3.80 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 = 3.12, residual support = 26.4:
          QE    PHE   72 - HB2   LEU   67   3.41 +/- 1.34  91.470% * 99.0444% (0.58   3.12  26.42) =  99.962%  kept
          HN    ALA   47 - HB2   LEU   67  16.71 +/- 2.56   2.858% *  0.7109% (0.65   0.02   0.02) =   0.022%
          QD    PHE   95 - HB2   LEU   67  11.47 +/- 2.27   5.672% *  0.2447% (0.22   0.02   0.02) =   0.015%
    Distance limit 3.74 A violated in 1 structures by 0.33 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.03, residual support = 59.3:
      O   HN    LEU   67 - HB2   LEU   67   2.93 +/- 0.57  88.877% * 99.6033% (0.70  10.0   5.03  59.32) =  99.993%  kept
          QE    PHE   95 - HB2   LEU   67  11.56 +/- 2.74   5.308% *  0.0626% (0.44   1.0   0.02   0.02) =   0.004%
          HD2   HIS   22 - HB2   LEU   67  16.38 +/- 2.30   0.721% *  0.0862% (0.61   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   LEU   67  16.16 +/- 2.72   0.734% *  0.0668% (0.47   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU   67  20.42 +/- 3.93   0.420% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  12.27 +/- 2.91   2.040% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  18.02 +/- 3.85   0.747% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  16.62 +/- 3.08   1.153% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.02, residual support = 26.4:
        T HZ    PHE   72 - HB2   LEU   67   4.65 +/- 1.65  79.365% * 99.9822% (0.63 10.00   3.02  26.42) =  99.995%  kept
          HZ2   TRP   27 - HB2   LEU   67  14.00 +/- 4.95  20.635% *  0.0178% (0.11  1.00   0.02   0.02) =   0.005%
    Distance limit 4.02 A violated in 2 structures by 0.88 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.542, support = 4.05, residual support = 63.4:
      O T HA    VAL   24 - HB    VAL   24   2.59 +/- 0.29  74.656% * 82.3820% (0.57  10.0 10.00   3.97  65.04) =  94.191%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.93 +/- 0.10  23.123% * 16.3856% (0.11  10.0  1.00   5.47  36.08) =   5.803%  kept
        T HA    VAL   24 - HB2   PRO   68  20.88 +/- 4.21   0.326% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.005%
          HA    LYS+  38 - HB2   PRO   68  15.76 +/- 2.42   0.667% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  19.37 +/- 1.74   0.214% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.84 +/- 5.48   1.013% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.25, residual support = 65.0:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  95.458% * 98.0584% (0.63  10.0 10.00   3.25  65.04) =  99.991%  kept
        T QG1   VAL   24 - HB2   PRO   68  19.40 +/- 4.52   0.499% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LEU   31 - HB    VAL   24  11.91 +/- 0.63   0.553% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  17.05 +/- 3.61   0.479% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.35 +/- 1.32   1.444% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  17.96 +/- 3.42   0.293% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  18.20 +/- 3.31   0.207% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.74 +/- 3.92   0.108% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.86 +/- 5.00   0.201% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.02 +/- 2.59   0.463% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.52 +/- 2.82   0.183% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  24.09 +/- 4.81   0.112% *  0.1041% (0.67   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 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.35, support = 5.68, residual support = 30.7:
      O   HN    ASN   69 - HB2   PRO   68   3.79 +/- 0.72  39.440% * 67.0175% (0.34  10.0   5.84  30.56) =  73.063%  kept
          HN    GLU-  25 - HB    VAL   24   3.60 +/- 0.65  45.901% * 17.4840% (0.31   1.0   5.87  34.70) =  22.184%  kept
          HN    ASN   28 - HB    VAL   24   5.76 +/- 0.30  11.395% * 15.0695% (0.66   1.0   2.35  14.46) =   4.746%  kept
          HN    ASP-  44 - HB    VAL   24  13.66 +/- 2.78   1.639% *  0.0646% (0.33   1.0   0.02   0.02) =   0.003%
          HN    ASP-  44 - HB2   PRO   68  15.67 +/- 1.44   0.655% *  0.0793% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   PRO   68  20.34 +/- 3.92   0.305% *  0.1573% (0.81   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  20.64 +/- 4.46   0.430% *  0.0546% (0.28   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  22.99 +/- 4.66   0.236% *  0.0731% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.0:
      O   HN    VAL   24 - HB    VAL   24   2.46 +/- 0.16  99.681% * 99.8774% (0.33  10.0   4.68  65.04) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  22.41 +/- 4.42   0.319% *  0.1226% (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 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.09, residual support = 36.1:
      O   HD3   PRO   68 - HG2   PRO   68   2.51 +/- 0.29  95.556% * 99.5120% (0.57  10.0   3.09  36.08) =  99.995%  kept
          HD2   ARG+  54 - HG2   PRO   68  21.83 +/- 5.61   1.522% *  0.1189% (0.69   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - HG2   PRO   68  22.33 +/- 4.98   1.713% *  0.1033% (0.60   1.0   0.02   0.02) =   0.002%
          QB    PHE   55 - HG2   PRO   68  19.02 +/- 3.51   0.422% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  20.30 +/- 2.98   0.310% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   PRO   68  16.37 +/- 2.53   0.478% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 36.1:
      O   HD2   PRO   68 - HG2   PRO   68   2.67 +/- 0.27  97.023% * 99.8205% (0.63  10.0   2.91  36.08) =  99.998%  kept
          HA    ALA   61 - HG2   PRO   68  12.38 +/- 1.35   1.353% *  0.0826% (0.52   1.0   0.02   0.02) =   0.001%
          HA    VAL   24 - HG2   PRO   68  20.71 +/- 4.67   0.647% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  16.27 +/- 2.81   0.598% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  18.60 +/- 2.21   0.379% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.696, support = 4.83, residual support = 67.2:
      O   HD3   PRO   68 - HG3   PRO   68   2.69 +/- 0.29  38.591% * 69.3856% (0.84  10.0  1.00   4.83  36.08) =  75.555%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.71 +/- 0.21  37.428% * 22.1175% (0.27  10.0 10.00   4.88 170.28) =  23.358%  kept
          QB    PHE   55 - HG2   ARG+  54   5.61 +/- 1.25   7.652% *  3.0276% (0.20   1.0  1.00   3.57   4.27) =   0.654%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.49 +/- 0.72   3.323% *  4.3345% (0.26   1.0  1.00   3.99  31.75) =   0.406%  kept
        T HD2   ARG+  54 - HG3   PRO   68  22.10 +/- 5.54   0.797% *  0.8289% (1.00   1.0 10.00   0.02   0.02) =   0.019%
          HD3   PRO   93 - HG2   ARG+  54  12.39 +/- 4.17   8.850% *  0.0192% (0.23   1.0  1.00   0.02   0.02) =   0.005%
          HD3   PRO   93 - HG3   PRO   68  22.46 +/- 4.87   0.758% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HG2   ARG+  54  19.81 +/- 4.77   1.006% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HG3   PRO   68  20.50 +/- 2.92   0.204% *  0.0814% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  19.18 +/- 3.46   0.245% *  0.0635% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.60 +/- 1.69   0.920% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.56 +/- 2.37   0.228% *  0.0404% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 36.1:
      O   HD2   PRO   68 - HG3   PRO   68   2.50 +/- 0.27  91.839% * 99.5569% (0.92  10.0  1.00   4.62  36.08) =  99.997%  kept
          HA    VAL   24 - HG3   PRO   68  20.71 +/- 4.77   1.310% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  38 - HG3   PRO   68  16.04 +/- 2.55   0.493% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HG3   PRO   68  12.49 +/- 1.37   0.873% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - HG2   ARG+  54  20.06 +/- 4.77   0.935% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  13.00 +/- 2.39   0.922% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.78 +/- 1.48   2.746% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.32 +/- 4.56   0.552% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  28.73 +/- 4.29   0.082% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  18.74 +/- 1.97   0.249% *  0.0146% (0.14   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 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.19, residual support = 36.1:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  86.174% * 98.5022% (0.98  10.0 10.00   5.19  36.08) =  99.994%  kept
        T HD3   PRO   93 - HD2   PRO   68  20.86 +/- 4.43   0.374% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PHE   59 - HD3   PRO   58   4.83 +/- 0.92   6.097% *  0.0070% (0.07   1.0  1.00   0.02  40.09) =   0.001%
        T HD3   PRO   93 - HD3   PRO   58  13.03 +/- 3.92   0.380% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  20.53 +/- 4.97   0.230% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD3   PRO   58   6.49 +/- 1.15   2.214% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.44 +/- 1.83   2.622% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  14.87 +/- 2.04   0.175% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  17.75 +/- 3.07   0.138% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  18.66 +/- 2.60   0.108% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.43 +/- 2.50   1.382% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.91 +/- 1.62   0.105% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.19, residual support = 36.1:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  97.390% * 99.4504% (0.92  10.0 10.00   5.19  36.08) =  99.998%  kept
        T HD2   PRO   68 - HD3   PRO   93  20.86 +/- 4.43   0.422% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HD3   PRO   68  10.54 +/- 1.02   0.510% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  19.16 +/- 4.94   0.627% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.91 +/- 1.62   0.119% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  13.03 +/- 3.92   0.430% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  14.79 +/- 2.31   0.228% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  16.13 +/- 2.59   0.168% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  20.79 +/- 2.95   0.074% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  26.77 +/- 2.71   0.033% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.19, residual support = 19.4:
      O   HA    LEU   67 - HD3   PRO   68   2.35 +/- 0.47  96.530% * 99.7870% (0.53  10.0   5.19  19.40) =  99.998%  kept
          HA    ASP-  76 - HD3   PRO   93  13.06 +/- 4.03   2.553% *  0.0302% (0.16   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   68  16.52 +/- 2.21   0.431% *  0.1645% (0.87   1.0   0.02   0.02) =   0.001%
          HA    LEU   67 - HD3   PRO   93  19.61 +/- 3.98   0.487% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.52, residual support = 19.4:
      O   HA    LEU   67 - HD2   PRO   68   2.47 +/- 0.43  98.421% * 99.8155% (0.53  10.0   4.52  19.40) =  99.999%  kept
          HA    ASP-  76 - HD2   PRO   68  16.81 +/- 2.07   0.485% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   58  15.53 +/- 3.34   0.646% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.84 +/- 1.13   0.448% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 60.9:
      O   HD21  ASN   69 - HB2   ASN   69   3.25 +/- 0.47  92.835% * 99.5864% (0.65  10.0   3.62  60.89) =  99.992%  kept
          HN    GLN   17 - HB2   ASN   69  13.05 +/- 5.65   4.111% *  0.1286% (0.84   1.0   0.02   0.02) =   0.006%
          HN    ALA   61 - HB2   ASN   69  14.94 +/- 2.34   1.686% *  0.0475% (0.31   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB2   ASN   69  21.25 +/- 4.15   0.601% *  0.0934% (0.61   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HB2   ASN   69  23.81 +/- 2.94   0.336% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  25.00 +/- 3.71   0.430% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.36, residual support = 60.9:
      O   HN    ASN   69 - HB2   ASN   69   3.16 +/- 0.49  97.581% * 99.9414% (0.97  10.0   5.36  60.89) =  99.999%  kept
          HN    GLY  101 - HB2   ASN   69  18.18 +/- 5.63   1.822% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  19.78 +/- 3.02   0.596% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 +/- 0.60  95.359% * 99.7810% (0.99  10.0   3.58  60.89) =  99.995%  kept
          HN    GLN   17 - HB3   ASN   69  12.68 +/- 5.30   4.039% *  0.0987% (0.98   1.0   0.02   0.02) =   0.004%
          HN    TRP   87 - HB3   ASN   69  23.32 +/- 3.24   0.228% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  20.76 +/- 4.48   0.374% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 60.9:
      O   HN    ASN   69 - HB3   ASN   69   3.04 +/- 0.52  98.196% * 99.9414% (0.97  10.0   4.85  60.89) = 100.000%  kept
          HN    ASN   28 - HB3   ASN   69  19.35 +/- 3.11   0.614% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   ASN   69  17.81 +/- 5.40   1.190% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.37, residual support = 60.7:
          HD21  ASN   69 - HA    ASN   69   3.51 +/- 0.55  81.795% * 90.6348% (0.20   3.38  60.89) =  99.721%  kept
          HN    GLN   17 - HA    ASN   69  11.59 +/- 6.21  14.132% *  0.9241% (0.34   0.02   0.02) =   0.176%  kept
          HN    ALA   61 - HA    ASN   69  14.35 +/- 1.89   1.743% *  2.1692% (0.80   0.02   0.02) =   0.051%
          HE3   TRP   87 - HA    ASN   69  21.00 +/- 4.26   0.865% *  2.6850% (0.99   0.02   0.02) =   0.031%
          HN    TRP   27 - HA    ASN   69  18.49 +/- 1.90   0.745% *  1.0167% (0.38   0.02   0.02) =   0.010%
          HN    ALA   91 - HA    ASN   69  24.79 +/- 3.09   0.306% *  1.9671% (0.73   0.02   0.02) =   0.008%
          HN    TRP   87 - HA    ASN   69  23.41 +/- 3.16   0.415% *  0.6031% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  14.37 +/- 2.06 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.62 A violated in 20 structures by 10.75 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.384, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HB2   SER   82  10.41 +/- 0.58   7.407% * 37.0886% (0.42 10.00   0.02   0.02) =  43.676%  kept
        T QB    ALA   88 - HA    SER   48  14.38 +/- 3.76   8.332% * 17.4364% (0.20 10.00   0.02   0.02) =  23.098%  kept
          QG2   THR   77 - HA    SER   48   8.43 +/- 3.58  19.620% *  1.9923% (0.23  1.00   0.02   0.02) =   6.215%  kept
          HG2   LYS+  38 - HA    VAL   70  11.25 +/- 1.89   7.603% *  4.6421% (0.53  1.00   0.02   0.02) =   5.611%  kept
          QG2   THR   77 - HB2   SER   82  10.52 +/- 1.45   8.052% *  4.2379% (0.48  1.00   0.02   0.02) =   5.425%  kept
          HG2   LYS+  99 - HA    VAL   70  12.96 +/- 6.06   8.675% *  3.6274% (0.41  1.00   0.02   0.02) =   5.003%  kept
          QG2   THR   77 - HA    VAL   70  14.66 +/- 1.56   3.356% *  8.7452% (0.99  1.00   0.02   0.02) =   4.666%  kept
          QG2   THR   23 - HB2   SER   82  14.80 +/- 6.71  10.553% *  0.9519% (0.11  1.00   0.02   0.02) =   1.597%  kept
          QB    ALA   88 - HA    VAL   70  19.17 +/- 2.53   1.128% *  7.6536% (0.87  1.00   0.02   0.02) =   1.373%  kept
          HB2   LEU   31 - HA    VAL   70  13.11 +/- 2.84   3.901% *  1.3614% (0.15  1.00   0.02   0.02) =   0.844%  kept
          QG2   THR   23 - HA    VAL   70  16.44 +/- 1.37   1.786% *  1.9644% (0.22  1.00   0.02   0.02) =   0.558%  kept
          QG2   THR   23 - HA    SER   48  16.83 +/- 4.18   5.056% *  0.4475% (0.05  1.00   0.02   0.02) =   0.360%  kept
          HB2   LEU   31 - HB2   SER   82  19.33 +/- 7.53   2.877% *  0.6597% (0.07  1.00   0.02   0.02) =   0.302%  kept
          HB2   LEU   31 - HA    SER   48  22.50 +/- 4.95   6.074% *  0.3102% (0.04  1.00   0.02   0.02) =   0.300%  kept
          HG2   LYS+  99 - HB2   SER   82  22.92 +/- 3.69   0.815% *  1.7578% (0.20  1.00   0.02   0.02) =   0.228%  kept
          HG2   LYS+  38 - HB2   SER   82  26.97 +/- 4.66   0.543% *  2.2495% (0.25  1.00   0.02   0.02) =   0.194%  kept
          HG2   LYS+ 111 - HA    VAL   70  25.08 +/- 3.69   0.570% *  1.7461% (0.20  1.00   0.02   0.02) =   0.158%  kept
          HG2   LYS+ 111 - HA    SER   48  17.91 +/- 2.90   1.649% *  0.3978% (0.05  1.00   0.02   0.02) =   0.104%  kept
          HG2   LYS+  38 - HA    SER   48  28.13 +/- 4.62   0.600% *  1.0576% (0.12  1.00   0.02   0.02) =   0.101%  kept
          HG2   LYS+  99 - HA    SER   48  25.49 +/- 3.98   0.742% *  0.8264% (0.09  1.00   0.02   0.02) =   0.097%
          HG2   LYS+ 111 - HB2   SER   82  24.19 +/- 3.59   0.660% *  0.8462% (0.10  1.00   0.02   0.02) =   0.089%
    Distance limit 3.52 A violated in 16 structures by 2.36 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.68, residual support = 34.1:
      O   HN    LEU   71 - HA    VAL   70   2.21 +/- 0.03  97.446% * 99.7573% (0.87  10.0   5.68  34.13) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  17.71 +/- 8.15   0.727% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  22.38 +/- 2.78   0.120% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.56 +/- 1.77   0.218% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  20.25 +/- 3.82   0.244% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  22.75 +/- 3.23   0.105% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  18.53 +/- 3.11   0.254% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  20.13 +/- 2.57   0.156% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  25.19 +/- 2.80   0.079% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  21.03 +/- 4.82   0.295% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  18.31 +/- 3.27   0.275% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  25.53 +/- 2.71   0.082% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2854 (6.71, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.888, support = 3.39, residual support = 47.1:
        T HZ    PHE   72 - HB    VAL   70   4.68 +/- 0.75  21.432% * 92.7029% (1.00 10.00   3.30  47.34) =  84.147%  kept
          QD    PHE   72 - HB    VAL   70   2.93 +/- 0.54  63.228% *  5.7275% (0.31  1.00   3.99  47.34) =  15.338%  kept
        T HZ    PHE   72 - QG    GLN   17  10.31 +/- 3.49   7.846% *  1.5449% (0.19 10.00   0.18   0.02) =   0.513%  kept
          QD    PHE   72 - QG    GLN   17   8.64 +/- 2.84   5.230% *  0.0053% (0.06  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - HB    VAL   70  11.99 +/- 1.68   1.175% *  0.0163% (0.18  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - QG    GLN   17  15.32 +/- 4.04   1.089% *  0.0030% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 4.51, residual support = 47.2:
          QE    PHE   72 - HB    VAL   70   2.66 +/- 0.61  85.316% * 96.6571% (0.73   4.52  47.34) =  99.686%  kept
          QE    PHE   72 - QG    GLN   17   8.89 +/- 3.01  10.376% *  2.4202% (0.13   0.61   0.02) =   0.304%  kept
          QD    PHE   95 - HB    VAL   70  10.78 +/- 2.16   2.180% *  0.2210% (0.38   0.02   0.02) =   0.006%
          HN    ALA   47 - HB    VAL   70  16.79 +/- 1.95   0.535% *  0.5571% (0.95   0.02   0.02) =   0.004%
          HN    ALA   47 - QG    GLN   17  19.45 +/- 4.15   0.532% *  0.1035% (0.18   0.02   0.02) =   0.001%
          QD    PHE   95 - QG    GLN   17  15.46 +/- 2.79   1.061% *  0.0411% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.73, residual support = 81.8:
      O   HN    VAL   70 - HB    VAL   70   2.64 +/- 0.29  95.089% * 99.9336% (0.76  10.0   4.74  81.84) =  99.999%  kept
          HN    VAL   70 - QG    GLN   17  10.32 +/- 4.13   3.895% *  0.0186% (0.14   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HB    VAL   70  17.41 +/- 1.76   0.435% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  17.11 +/- 4.35   0.581% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.11, residual support = 81.8:
          HN    VAL   70 - QG1   VAL   70   2.47 +/- 0.43  97.526% * 98.3708% (0.28   5.11  81.84) =  99.983%  kept
          HN    THR   94 - QG1   VAL   70  12.43 +/- 2.40   1.857% *  0.5199% (0.38   0.02   0.02) =   0.010%
          HN    GLU-  79 - QG1   VAL   70  15.45 +/- 1.40   0.616% *  1.1093% (0.80   0.02   0.02) =   0.007%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.371, support = 1.44, residual support = 0.561:
          HN    VAL   42 - QG2   VAL   70   4.19 +/- 1.28  53.882% * 28.2352% (0.35   1.19   0.51) =  46.709%  kept
          HN    LEU   73 - QG2   VAL   70   6.01 +/- 0.71  26.342% * 48.2103% (0.35   2.03   0.78) =  38.990%  kept
          HN    ILE   19 - QG2   VAL   70   8.09 +/- 2.82  19.775% * 23.5544% (0.52   0.67   0.12) =  14.301%  kept
    Distance limit 3.85 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.498, support = 6.01, residual support = 34.3:
        T HG    LEU   40 - QG2   VAL   70   2.67 +/- 0.77  41.311% * 47.2809% (0.54 10.00   6.43  35.87) =  86.091%  kept
        T HB3   LEU   40 - QG2   VAL   70   4.29 +/- 0.69  11.176% * 19.4810% (0.22 10.00   3.99  35.87) =   9.596%  kept
        T HG    LEU   73 - QG2   VAL   70   7.89 +/- 0.96   2.554% * 30.6543% (0.35 10.00   2.41   0.78) =   3.451%  kept
          HG    LEU   67 - QG2   VAL   70   4.84 +/- 1.45  11.987% *  1.4444% (0.53  1.00   0.62   0.02) =   0.763%  kept
          QG    LYS+  66 - QG2   VAL   70   7.78 +/- 1.59   5.834% *  0.2716% (0.24  1.00   0.26   0.02) =   0.070%
        T HB3   LEU  115 - QG2   VAL   70  13.36 +/- 2.10   0.531% *  0.4728% (0.54 10.00   0.02   0.02) =   0.011%
          HB3   LEU   67 - QG2   VAL   70   4.95 +/- 1.23  11.257% *  0.0132% (0.15  1.00   0.02   0.02) =   0.007%
        T HG    LEU  115 - QG2   VAL   70  14.18 +/- 1.48   0.416% *  0.3065% (0.35 10.00   0.02   0.02) =   0.006%
          QB    ALA   61 - QG2   VAL   70   7.58 +/- 2.33  13.620% *  0.0083% (0.09  1.00   0.02   0.02) =   0.005%
          QB    ALA  120 - QG2   VAL   70  13.19 +/- 3.08   0.891% *  0.0307% (0.35  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   VAL   70  14.32 +/- 2.57   0.423% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.415, support = 3.96, residual support = 47.3:
        T QD    PHE   72 - QG2   VAL   70   2.35 +/- 0.77  76.731% * 55.2900% (0.43 10.00   3.81  47.34) =  81.987%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.43 +/- 0.39  20.865% * 44.6681% (0.35 10.00   4.63  47.34) =  18.012%  kept
          QE    PHE   45 - QG2   VAL   70   9.42 +/- 1.56   2.404% *  0.0419% (0.33  1.00   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.41, residual support = 47.3:
          QE    PHE   72 - QG2   VAL   70   2.96 +/- 0.39  94.204% * 99.6805% (0.54   5.41  47.34) =  99.991%  kept
          HD22  ASN   28 - QG2   VAL   70  11.75 +/- 2.51   4.389% *  0.1257% (0.18   0.02   0.02) =   0.006%
          HN    ALA   47 - QG2   VAL   70  14.01 +/- 1.56   1.406% *  0.1939% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.37, residual support = 34.1:
          HN    LEU   71 - QG2   VAL   70   2.91 +/- 0.36  93.861% * 99.3786% (0.51   6.38  34.13) =  99.993%  kept
          HN    GLU- 114 - QG2   VAL   70  17.00 +/- 2.16   0.671% *  0.3118% (0.51   0.02   0.02) =   0.002%
          HN    PHE   60 - QG2   VAL   70   9.95 +/- 1.80   3.402% *  0.0446% (0.07   0.02   0.02) =   0.002%
          HN    GLN  116 - QG2   VAL   70  15.23 +/- 2.09   0.832% *  0.1734% (0.28   0.02   0.02) =   0.002%
          HN    THR  118 - QG2   VAL   70  14.22 +/- 2.60   1.234% *  0.0916% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.691, support = 2.98, residual support = 47.3:
        T HZ    PHE   72 - QG1   VAL   70   4.85 +/- 0.81  32.661% * 82.6957% (0.65 10.00   2.83  47.34) =  71.192%  kept
          QD    PHE   72 - QG1   VAL   70   3.71 +/- 0.86  63.425% * 17.2268% (0.80  1.00   3.37  47.34) =  28.800%  kept
          QE    PHE   45 - QG1   VAL   70  10.52 +/- 1.65   3.914% *  0.0775% (0.61  1.00   0.02   0.02) =   0.008%
    Distance limit 3.85 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 0.744, residual support = 2.73:
          HA    VAL   41 - HB2   LEU   71   6.61 +/- 2.79  68.011% * 95.8609% (0.92   0.75   2.75) =  99.181%  kept
          HA    HIS  122 - HB2   LEU   71  17.54 +/- 4.93  15.141% *  2.6725% (0.97   0.02   0.02) =   0.616%  kept
          HA    PHE   45 - HB2   LEU   71  15.76 +/- 1.94  10.103% *  1.0393% (0.38   0.02   0.02) =   0.160%  kept
          HA    MET   92 - HB2   LEU   71  21.81 +/- 3.41   6.745% *  0.4273% (0.15   0.02   0.02) =   0.044%
    Distance limit 3.67 A violated in 13 structures by 2.89 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.35, residual support = 139.2:
      O   HN    LEU   71 - HB2   LEU   71   2.68 +/- 0.42  97.940% * 99.8011% (0.95  10.0   6.35 139.24) =  99.999%  kept
          HN    PHE   60 - HB2   LEU   71  15.20 +/- 2.29   1.393% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  23.99 +/- 2.71   0.175% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  21.83 +/- 2.35   0.230% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  20.64 +/- 2.30   0.261% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.28, residual support = 139.2:
      O   HN    LEU   71 - HB3   LEU   71   3.38 +/- 0.47  94.063% * 99.8011% (0.95  10.0   6.28 139.24) =  99.998%  kept
          HN    PHE   60 - HB3   LEU   71  15.34 +/- 2.50   4.606% *  0.0143% (0.14   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB3   LEU   71  24.35 +/- 3.10   0.357% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  22.16 +/- 2.75   0.474% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  21.01 +/- 2.55   0.500% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.92, residual support = 139.2:
      O   HB2   LEU   71 - HG    LEU   71   2.61 +/- 0.23  64.643% * 99.3720% (0.97  10.0   4.92 139.24) =  99.986%  kept
          HB3   GLN   17 - HG    LEU   71  10.56 +/- 5.54   4.021% *  0.0501% (0.49   1.0   0.02   0.02) =   0.003%
          HB    VAL   41 - HG    LEU   71   9.32 +/- 2.98   3.996% *  0.0501% (0.49   1.0   0.02   2.75) =   0.003%
          QB    LYS+  65 - HG    LEU   71  11.62 +/- 1.75   1.043% *  0.1009% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   LEU   71 - HG13  ILE   19   8.56 +/- 4.61   6.412% *  0.0142% (0.14   1.0   0.02   0.82) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   6.34 +/- 1.50  11.656% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG    LEU   71  11.87 +/- 1.56   0.869% *  0.0707% (0.69   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HG    LEU   71  17.12 +/- 3.29   0.370% *  0.1030% (1.00   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HG13  ILE   19  11.32 +/- 3.97   2.399% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.99 +/- 3.36   0.166% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.61 +/- 2.06   0.931% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  17.10 +/- 3.27   0.372% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  20.70 +/- 5.13   0.533% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  12.92 +/- 2.15   0.715% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.30 +/- 3.69   0.315% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  23.96 +/- 5.14   0.175% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  21.84 +/- 2.75   0.137% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.97 +/- 3.79   0.361% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  20.52 +/- 6.24   0.687% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.52 +/- 4.76   0.200% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.76, residual support = 139.2:
          HN    LEU   71 - QD2   LEU   71   3.01 +/- 0.98  95.868% * 99.7036% (0.87   6.76 139.24) =  99.996%  kept
          HN    THR   26 - QD2   LEU   71  13.16 +/- 1.80   2.651% *  0.0848% (0.25   0.02   0.02) =   0.002%
          HN    GLU- 114 - QD2   LEU   71  20.67 +/- 2.65   0.647% *  0.1655% (0.49   0.02   0.02) =   0.001%
          HN    GLN  116 - QD2   LEU   71  18.77 +/- 2.51   0.834% *  0.0460% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 5.23, residual support = 19.1:
          HN    PHE   72 - QD2   LEU   71   3.86 +/- 0.30  96.970% * 99.5619% (0.73   5.23  19.08) =  99.986%  kept
          HN    LEU  104 - QD2   LEU   71  14.31 +/- 2.49   3.030% *  0.4381% (0.84   0.02   0.02) =   0.014%
    Distance limit 3.33 A violated in 0 structures by 0.55 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.61, support = 5.24, residual support = 42.0:
      O   HN    LEU   73 - HA    PHE   72   2.53 +/- 0.16  55.508% * 93.2287% (0.61  10.0   5.37  43.24) =  96.954%  kept
          HN    VAL   42 - HA    PHE   72   4.68 +/- 2.04  25.960% *  5.2650% (0.61   1.0   1.13   4.45) =   2.561%  kept
          HN    ILE   19 - HA    PHE   72   6.43 +/- 4.91  18.314% *  1.4130% (0.13   1.0   1.39   1.03) =   0.485%  kept
          HN    LYS+ 106 - HA    PHE   72  16.39 +/- 2.01   0.217% *  0.0932% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.03, residual support = 90.0:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.02  98.810% * 99.9786% (0.71  10.0   5.03  90.02) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  14.09 +/- 2.67   1.190% *  0.0214% (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 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.489, support = 1.9, residual support = 25.8:
          HG    LEU   73 - HA    PHE   72   4.74 +/- 0.78  31.182% * 42.8998% (0.37   2.67  43.24) =  57.347%  kept
          HG12  ILE   19 - HA    PHE   72   6.53 +/- 4.32  30.809% * 23.9838% (0.74   0.75   1.03) =  31.678%  kept
          HB3   LYS+  74 - HA    PHE   72   8.05 +/- 1.38   9.933% * 19.8420% (0.31   1.46   0.82) =   8.450%  kept
          HB3   LEU   67 - HA    PHE   72   8.73 +/- 1.47   5.022% *  9.7939% (0.66   0.34  26.42) =   2.109%  kept
          QB    ALA   61 - HA    PHE   72   8.52 +/- 1.96   7.577% *  0.6375% (0.74   0.02   0.02) =   0.207%  kept
          QG    LYS+  66 - HA    PHE   72  11.39 +/- 1.78   2.505% *  0.4537% (0.52   0.02   0.68) =   0.049%
          HG    LEU   80 - HA    PHE   72  15.22 +/- 4.53   1.335% *  0.6591% (0.76   0.02   0.02) =   0.038%
          HD3   LYS+ 121 - HA    PHE   72  17.37 +/- 4.40   2.804% *  0.2962% (0.34   0.02   0.02) =   0.036%
          QB    LEU   98 - HA    PHE   72  10.44 +/- 3.05   5.922% *  0.1307% (0.15   0.02   0.02) =   0.033%
          QB    ALA  110 - HA    PHE   72  18.39 +/- 3.20   0.921% *  0.6547% (0.76   0.02   0.02) =   0.026%
          HB2   LEU   80 - HA    PHE   72  14.78 +/- 3.32   1.278% *  0.4007% (0.46   0.02   0.02) =   0.022%
          HG2   LYS+ 102 - HA    PHE   72  17.96 +/- 3.54   0.711% *  0.2479% (0.29   0.02   0.02) =   0.008%
    Distance limit 3.51 A violated in 0 structures by 0.37 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.817, support = 5.58, residual support = 43.2:
          QD2   LEU   73 - HB2   PHE   72   3.58 +/- 0.68  52.095% * 98.9700% (0.82   5.59  43.24) =  99.834%  kept
          HG    LEU   31 - HB2   PHE   72   8.76 +/- 2.67  13.762% *  0.3242% (0.75   0.02   0.02) =   0.086%
          QG1   VAL   41 - HB2   PHE   72   6.45 +/- 2.17  18.590% *  0.1233% (0.28   0.02   0.02) =   0.044%
          QG1   VAL   43 - HB2   PHE   72   6.61 +/- 1.92  11.829% *  0.0715% (0.17   0.02   0.02) =   0.016%
          QD1   ILE   56 - HB2   PHE   72  12.47 +/- 2.02   1.984% *  0.3489% (0.81   0.02   0.02) =   0.013%
          HG3   LYS+ 121 - HB2   PHE   72  17.23 +/- 4.13   1.740% *  0.1621% (0.37   0.02   0.02) =   0.005%
    Distance limit 3.71 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.28, residual support = 46.9:
        T QB    ALA   64 - HB2   PHE   72   4.01 +/- 0.76  97.147% * 99.9825% (0.84 10.00   3.28  46.90) =  99.999%  kept
          QB    ALA   47 - HB2   PHE   72  14.04 +/- 1.71   2.853% *  0.0175% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 1 structures by 0.53 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.718, support = 6.04, residual support = 42.4:
          QD2   LEU   73 - HB3   PHE   72   4.17 +/- 0.82  35.592% * 95.3164% (0.72   6.15  43.24) =  98.049%  kept
          QG2   VAL   18 - HB3   PHE   72   7.28 +/- 3.26  16.882% *  2.8637% (0.33   0.41   1.15) =   1.397%  kept
          QG1   VAL   43 - HB3   PHE   72   7.08 +/- 1.81   9.353% *  0.8586% (0.53   0.08   0.02) =   0.232%  kept
          QG1   VAL   41 - HB3   PHE   72   6.11 +/- 2.28  22.564% *  0.2971% (0.69   0.02   0.02) =   0.194%  kept
          HG    LEU   31 - HB3   PHE   72   9.21 +/- 2.73  10.575% *  0.3510% (0.82   0.02   0.02) =   0.107%  kept
          QG2   THR   46 - HB3   PHE   72  10.65 +/- 1.80   3.381% *  0.1032% (0.24   0.02   0.02) =   0.010%
          QD1   ILE   56 - HB3   PHE   72  12.64 +/- 2.00   1.653% *  0.2101% (0.49   0.02   0.02) =   0.010%
    Distance limit 3.58 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.67, residual support = 46.9:
        T QB    ALA   64 - HB3   PHE   72   3.98 +/- 0.77  96.062% * 99.9693% (0.63 10.00   3.67  46.90) =  99.999%  kept
          QD1   LEU  115 - HB3   PHE   72  13.09 +/- 1.75   3.938% *  0.0307% (0.19  1.00   0.02   0.02) =   0.001%
    Distance limit 3.64 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 = 0.552, support = 0.571, residual support = 11.9:
        T HA    VAL   18 - HB2   PHE   72   7.25 +/- 4.72  41.069% * 67.4141% (0.47 10.00   0.42   1.15) =  76.557%  kept
          HA    VAL   70 - HB2   PHE   72   6.78 +/- 0.88  27.641% * 30.3607% (0.82  1.00   1.09  47.34) =  23.205%  kept
          HB2   SER   37 - HB2   PHE   72  11.58 +/- 1.87   6.514% *  0.3463% (0.51  1.00   0.02   0.02) =   0.062%
          HA    LYS+  33 - HB2   PHE   72  13.35 +/- 2.18   3.901% *  0.4363% (0.64  1.00   0.02   0.02) =   0.047%
          HA    GLU-  29 - HB2   PHE   72  13.37 +/- 2.23   4.353% *  0.3463% (0.51  1.00   0.02   0.02) =   0.042%
          HA1   GLY   16 - HB2   PHE   72  11.78 +/- 4.61   6.863% *  0.1587% (0.23  1.00   0.02   0.02) =   0.030%
          HA    GLN  116 - HB2   PHE   72  17.36 +/- 1.98   1.656% *  0.5596% (0.82  1.00   0.02   0.02) =   0.026%
          HA    SER   48 - HB2   PHE   72  16.32 +/- 3.27   6.295% *  0.1000% (0.15  1.00   0.02   0.02) =   0.017%
          HB2   SER   82 - HB2   PHE   72  18.63 +/- 3.33   1.708% *  0.2779% (0.41  1.00   0.02   0.02) =   0.013%
    Distance limit 3.76 A violated in 6 structures by 1.33 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.47, support = 1.01, residual support = 39.5:
          HA    VAL   70 - HB3   PHE   72   5.65 +/- 0.53  37.932% * 70.0310% (0.53  1.00   1.09  47.34) =  82.997%  kept
          HA    VAL   18 - HB3   PHE   72   7.28 +/- 4.40  33.222% * 13.9775% (0.15  1.00   0.75   1.15) =  14.509%  kept
        T HA    LYS+  33 - HB3   PHE   72  12.97 +/- 2.39   4.567% *  6.5690% (0.27 10.00   0.02   0.02) =   0.937%  kept
          HB2   SER   37 - HB3   PHE   72  10.76 +/- 1.98   8.949% *  2.0862% (0.85  1.00   0.02   0.02) =   0.583%  kept
        T HA    GLU-  29 - HB3   PHE   72  13.72 +/- 2.30   3.640% *  4.2119% (0.17 10.00   0.02   0.02) =   0.479%  kept
          HA1   GLY   16 - HB3   PHE   72  10.85 +/- 4.76   8.419% *  1.5455% (0.63  1.00   0.02   0.02) =   0.407%  kept
          HA    GLN  116 - HB3   PHE   72  17.32 +/- 2.16   1.864% *  1.2909% (0.53  1.00   0.02   0.02) =   0.075%
          HB2   SER   82 - HB3   PHE   72  19.71 +/- 3.41   1.406% *  0.2880% (0.12  1.00   0.02   0.02) =   0.013%
    Distance limit 3.89 A violated in 4 structures by 1.06 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.83, residual support = 90.0:
      O T QD    PHE   72 - HB3   PHE   72   2.41 +/- 0.11  91.720% * 94.5820% (0.87  10.0 10.00   4.84  90.02) =  99.643%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   6.506% *  4.5430% (0.27   1.0  1.00   3.11  90.02) =   0.339%  kept
        T QE    PHE   45 - HB3   PHE   72  10.08 +/- 1.94   1.774% *  0.8750% (0.80   1.0 10.00   0.02   0.02) =   0.018%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.831, support = 4.56, residual support = 90.0:
      O T QD    PHE   72 - HB2   PHE   72   2.49 +/- 0.17  90.634% * 95.5380% (0.83  10.0 10.00   4.56  90.02) =  99.633%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   7.242% *  4.3736% (0.26   1.0  1.00   2.96  90.02) =   0.364%  kept
          QE    PHE   45 - HB2   PHE   72   9.38 +/- 1.99   2.124% *  0.0884% (0.77   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 4.97, residual support = 90.0:
      O   HN    PHE   72 - HB2   PHE   72   3.54 +/- 0.31  97.720% * 99.9402% (0.79  10.0   4.97  90.02) =  99.999%  kept
          HN    LEU  104 - HB2   PHE   72  13.72 +/- 2.21   2.280% *  0.0598% (0.47   1.0   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.916, support = 0.727, residual support = 5.25:
          HG3   GLN   30 - HA    LEU   73   7.07 +/- 3.31  28.218% * 50.4460% (0.99   0.73   5.34) =  62.736%  kept
          HB2   GLN   30 - HA    LEU   73   7.55 +/- 2.32  19.337% * 41.6954% (0.80   0.75   5.34) =  35.532%  kept
          HB2   GLN   17 - HA    LEU   73  10.41 +/- 3.89  10.973% *  0.6759% (0.49   0.02   0.02) =   0.327%  kept
          HB    ILE  119 - HA    LEU   73  17.90 +/- 2.90   5.511% *  1.1119% (0.80   0.02   0.02) =   0.270%  kept
          HB3   PRO   68 - HA    LEU   73  14.09 +/- 1.67   4.791% *  1.2045% (0.87   0.02   0.02) =   0.254%  kept
          HB    VAL  108 - HA    LEU   73  19.43 +/- 2.99   5.529% *  0.7861% (0.57   0.02   0.02) =   0.192%  kept
          HB3   GLU- 100 - HA    LEU   73  18.60 +/- 3.28   3.261% *  1.2045% (0.87   0.02   0.02) =   0.173%  kept
          QB    GLU-  15 - HA    LEU   73  12.79 +/- 3.31   4.841% *  0.6759% (0.49   0.02   0.02) =   0.144%  kept
          HB2   ARG+  54 - HA    LEU   73  18.87 +/- 2.79   3.681% *  0.6759% (0.49   0.02   0.02) =   0.110%  kept
          HB2   PRO   93 - HA    LEU   73  15.11 +/- 2.55   7.486% *  0.3091% (0.22   0.02   0.02) =   0.102%  kept
          HB2   LYS+ 111 - HA    LEU   73  22.61 +/- 4.16   2.499% *  0.7861% (0.57   0.02   0.02) =   0.087%
          HB3   GLU-  25 - HA    LEU   73  13.98 +/- 2.11   3.874% *  0.4286% (0.31   0.02   0.02) =   0.073%
    Distance limit 3.77 A violated in 12 structures by 2.10 A, kept.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.72, residual support = 42.2:
      O   HN    LYS+  74 - HA    LEU   73   2.63 +/- 0.27  94.522% * 99.6525% (0.69  10.0   5.72  42.18) =  99.996%  kept
          HN    THR   46 - HA    LEU   73  11.80 +/- 2.49   3.932% *  0.0403% (0.28   1.0   0.02   0.02) =   0.002%
          HN    MET   11 - HA    LEU   73  21.74 +/- 5.05   0.778% *  0.1400% (0.97   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HA    LEU   73  20.78 +/- 4.10   0.429% *  0.1448% (1.00   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HA    LEU   73  18.88 +/- 2.59   0.338% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.787, support = 6.38, residual support = 168.2:
      O   HN    LEU   73 - HA    LEU   73   2.87 +/- 0.08  51.310% * 96.2349% (0.80  10.0   6.47 171.94) =  97.740%  kept
          HN    ILE   19 - HA    LEU   73   5.42 +/- 5.22  43.095% *  2.5086% (0.18   1.0   2.38   5.82) =   2.140%  kept
          HN    VAL   42 - HA    LEU   73   7.41 +/- 1.95   5.196% *  1.1603% (0.80   1.0   0.24   1.04) =   0.119%  kept
          HN    LYS+ 106 - HA    LEU   73  17.41 +/- 2.85   0.399% *  0.0962% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.32 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 = 6.23, residual support = 171.6:
      O   HN    LEU   73 - HB2   LEU   73   3.54 +/- 0.32  83.579% * 98.5498% (0.38  10.0   6.24 171.94) =  99.778%  kept
          HN    VAL   42 - HB2   LEU   73   8.13 +/- 2.24  15.136% *  1.1882% (0.38   1.0   0.24   1.04) =   0.218%  kept
          HN    LYS+ 106 - HB2   LEU   73  17.52 +/- 3.74   1.285% *  0.2620% (1.00   1.0   0.02   0.02) =   0.004%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.983, support = 0.02, residual support = 0.319:
        T HA    HIS   22 - HB2   LEU   73   8.01 +/- 1.70  43.361% * 84.8829% (1.00 10.00   0.02   0.02) =  90.323%  kept
          HA    VAL   43 - HB2   LEU   73   7.40 +/- 2.78  50.475% *  6.7969% (0.80  1.00   0.02   3.58) =   8.419%  kept
          HA    ASN   69 - HB2   LEU   73  14.17 +/- 0.96   6.163% *  8.3202% (0.98  1.00   0.02   0.02) =   1.258%  kept
    Distance limit 3.98 A violated in 15 structures by 2.05 A, eliminated.
    Peak unassigned.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.49, residual support = 42.2:
          HN    LYS+  74 - HB3   LEU   73   3.31 +/- 0.81  96.427% * 97.5186% (0.25   5.49  42.18) =  99.971%  kept
          HN    LYS+ 112 - HB3   LEU   73  20.85 +/- 3.99   1.082% *  1.0889% (0.76   0.02   0.02) =   0.013%
          HN    ASP-  78 - HB3   LEU   73  12.99 +/- 1.07   1.943% *  0.5858% (0.41   0.02   0.02) =   0.012%
          HN    MET   11 - HB3   LEU   73  22.42 +/- 5.05   0.547% *  0.8067% (0.57   0.02   0.02) =   0.005%
    Distance limit 4.16 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.705, support = 5.34, residual support = 155.7:
          HN    LEU   73 - HG    LEU   73   3.07 +/- 0.71  29.020% * 63.6920% (0.80   5.66 171.94) =  83.140%  kept
          HN    ILE   19 - HG12  ILE   19   2.97 +/- 0.85  32.169% *  5.0215% (0.06   6.24 170.05) =   7.266%  kept
          HN    VAL   42 - HG    LEU   73   7.19 +/- 2.54   4.489% * 13.1277% (0.80   1.17   1.04) =   2.651%  kept
          HN    ILE   19 - HG    LEU   73   6.88 +/- 3.66   7.938% *  7.0664% (0.18   2.87   5.82) =   2.523%  kept
          HN    LEU   73 - HG12  ILE   19   6.59 +/- 3.68   9.447% *  5.5659% (0.26   1.51   5.82) =   2.365%  kept
          HN    VAL   42 - HG    LEU   40   4.91 +/- 0.96   9.158% *  4.9527% (0.15   2.36   1.88) =   2.040%  kept
          HN    LEU   73 - HG    LEU   40   8.32 +/- 1.87   2.486% *  0.0420% (0.15   0.02   0.02) =   0.005%
          HN    VAL   42 - HG12  ILE   19  10.08 +/- 3.73   1.032% *  0.0735% (0.26   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG    LEU   73  16.94 +/- 3.72   0.326% *  0.2252% (0.80   0.02   0.02) =   0.003%
          HN    LEU   73 - HG    LEU   80  13.32 +/- 4.84   0.750% *  0.0274% (0.10   0.02   0.02) =   0.001%
          HN    VAL   42 - HG    LEU   80  14.63 +/- 4.07   0.513% *  0.0274% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  14.38 +/- 2.74   0.316% *  0.0420% (0.15   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  20.75 +/- 2.23   0.100% *  0.0735% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.45 +/- 3.88   0.195% *  0.0274% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.50 +/- 3.02   0.556% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.63 +/- 2.31   0.578% *  0.0062% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  16.16 +/- 7.46   0.404% *  0.0060% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  17.03 +/- 2.62   0.253% *  0.0062% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  16.62 +/- 1.83   0.169% *  0.0062% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  19.87 +/- 2.09   0.102% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2894 (8.13, 1.44, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.127, support = 1.3, residual support = 1.29:
          HN    LEU   71 - HG    LEU   40   4.91 +/- 1.33  42.387% * 21.2059% (0.05   1.73   1.56) =  49.283%  kept
          HN    LEU   71 - HG12  ILE   19   9.11 +/- 4.19  22.247% * 23.3889% (0.09   1.09   0.82) =  28.530%  kept
          HN    LEU   71 - HG    LEU   73   9.22 +/- 1.23   7.094% * 48.6367% (0.28   0.74   1.48) =  18.917%  kept
          HN    THR   26 - HG    LEU   73   9.52 +/- 2.52  11.845% *  3.9532% (0.84   0.02   0.02) =   2.568%  kept
          HN    THR   26 - HG12  ILE   19  10.70 +/- 2.01   6.746% *  1.2911% (0.27   0.02   0.02) =   0.478%  kept
          HN    THR   26 - HG    LEU   80  14.74 +/- 8.26   6.476% *  0.4810% (0.10   0.02   0.02) =   0.171%  kept
          HN    THR   26 - HG    LEU   40  17.44 +/- 1.81   1.028% *  0.7370% (0.16   0.02   0.02) =   0.042%
          HN    LEU   71 - HG    LEU   80  18.89 +/- 3.89   0.976% *  0.1601% (0.03   0.02   0.02) =   0.009%
          HN    THR   26 - HG    LEU  115  24.33 +/- 3.88   0.442% *  0.1096% (0.02   0.02   0.02) =   0.003%
          HN    LEU   71 - HG    LEU  115  19.45 +/- 2.06   0.758% *  0.0365% (0.01   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.53 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.98, residual support = 170.8:
          HN    LEU   73 - QD2   LEU   73   2.00 +/- 0.54  77.455% * 96.1005% (0.38   8.04 171.94) =  99.339%  kept
          HN    VAL   42 - QD2   LEU   73   5.22 +/- 2.07  16.779% *  2.8837% (0.38   0.24   1.04) =   0.646%  kept
          HN    LYS+ 106 - HG3   LYS+ 121  10.00 +/- 6.01   3.154% *  0.2168% (0.34   0.02   0.02) =   0.009%
          HN    LYS+ 106 - QD2   LEU   73  13.66 +/- 2.45   0.501% *  0.6359% (1.00   0.02   0.02) =   0.004%
          HN    VAL   42 - HG3   LYS+ 121  16.09 +/- 5.40   1.068% *  0.0816% (0.13   0.02   0.02) =   0.001%
          HN    LEU   73 - HG3   LYS+ 121  17.88 +/- 4.50   1.043% *  0.0816% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.96, residual support = 42.2:
          HN    LYS+  74 - QD2   LEU   73   3.92 +/- 0.69  87.825% * 96.8456% (0.25   5.96  42.18) =  99.926%  kept
          HN    LYS+ 112 - QD2   LEU   73  17.29 +/- 3.22   1.897% *  0.9960% (0.76   0.02   0.02) =   0.022%
          HN    ASP-  78 - QD2   LEU   73  11.66 +/- 1.70   3.498% *  0.5358% (0.41   0.02   0.02) =   0.022%
          HN    MET   11 - QD2   LEU   73  18.76 +/- 4.13   2.206% *  0.7379% (0.57   0.02   0.02) =   0.019%
          HN    LYS+ 112 - HG3   LYS+ 121  16.96 +/- 0.86   1.235% *  0.3396% (0.26   0.02   0.02) =   0.005%
          HN    ASP-  78 - HG3   LYS+ 121  23.40 +/- 4.03   1.358% *  0.1827% (0.14   0.02   0.02) =   0.003%
          HN    LYS+  74 - HG3   LYS+ 121  19.83 +/- 4.18   1.729% *  0.1108% (0.09   0.02   0.02) =   0.002%
          HN    MET   11 - HG3   LYS+ 121  34.92 +/- 6.08   0.252% *  0.2516% (0.19   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.8, residual support = 186.8:
      O   HN    LYS+  74 - HB2   LYS+  74   2.63 +/- 0.47  95.732% * 98.7735% (0.20  10.0   5.81 186.80) =  99.979%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.52 +/- 0.83   2.172% *  0.6995% (0.33   1.0   0.09   0.02) =   0.016%
          HN    MET   11 - HB2   LYS+  74  22.65 +/- 5.69   1.658% *  0.2243% (0.45   1.0   0.02   0.02) =   0.004%
          HN    LYS+ 112 - HB2   LYS+  74  20.60 +/- 3.17   0.439% *  0.3027% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.413, support = 4.46, residual support = 31.8:
          HN    VAL   75 - HB3   LYS+  74   4.29 +/- 0.14  84.883% * 95.6242% (0.41   4.48  31.94) =  99.649%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.02 +/- 0.79   6.948% *  3.8729% (0.87   0.09   0.02) =   0.330%  kept
          HN    MET   11 - HB3   LYS+  74  22.73 +/- 5.15   6.841% *  0.1820% (0.18   0.02   0.02) =   0.015%
          HN    LYS+ 112 - HB3   LYS+  74  20.51 +/- 3.30   1.329% *  0.3208% (0.31   0.02   0.02) =   0.005%
    Distance limit 3.73 A violated in 0 structures by 0.55 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.87, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.36 +/- 0.60  92.869% * 98.2378% (0.84   5.88  31.94) =  99.893%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.93 +/- 0.74   5.767% *  1.6845% (0.98   0.09   0.02) =   0.106%  kept
          HN    ASP-  78 - HG3   LYS+ 111  20.44 +/- 4.12   0.758% *  0.0419% (0.10   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 111  20.52 +/- 3.37   0.606% *  0.0357% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.717, residual support = 0.717:
          QG1   VAL   75 - HA    THR   77   3.98 +/- 0.24  94.832% * 97.8891% (0.84   0.72   0.72) =  99.883%  kept
          QD1   LEU  115 - HA    THR   77  12.92 +/- 2.60   5.168% *  2.1109% (0.65   0.02   0.02) =   0.117%  kept
    Distance limit 3.54 A violated in 0 structures by 0.44 A, kept.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 39.6:
      O   HN    ASP-  78 - HB3   ASP-  78   2.67 +/- 0.60  97.970% * 99.9053% (0.95  10.0   3.95  39.63) =  99.998%  kept
          HN    VAL   75 - HB3   ASP-  78  10.25 +/- 0.81   2.030% *  0.0947% (0.90   1.0   0.02   0.31) =   0.002%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.34, residual support = 39.6:
      O   HN    ASP-  78 - HB2   ASP-  78   2.76 +/- 0.46  97.920% * 99.9053% (0.95  10.0   5.34  39.63) =  99.998%  kept
          HN    VAL   75 - HB2   ASP-  78  10.28 +/- 0.76   2.080% *  0.0947% (0.90   1.0   0.02   0.31) =   0.002%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 56.6:
      O T HB3   GLU-  79 - HA    GLU-  79   2.72 +/- 0.22  97.392% * 99.1581% (1.00  10.0 10.00   4.40  56.65) =  99.991%  kept
        T HB2   GLN   90 - HA    GLU-  79  14.85 +/- 3.64   1.376% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.009%
          HB3   GLU-  29 - HA    GLU-  79  20.05 +/- 4.23   0.344% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  22.61 +/- 3.26   0.244% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  19.58 +/- 4.50   0.399% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  23.74 +/- 4.41   0.245% *  0.0221% (0.22   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 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 56.7:
      O   QG    GLU-  79 - HB3   GLU-  79   2.40 +/- 0.16  96.640% * 99.5936% (0.98  10.0   3.65  56.65) =  99.999%  kept
          QG    GLU-  79 - HB2   GLN   90  13.67 +/- 2.92   0.767% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  20.07 +/- 3.94   0.302% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  17.94 +/- 3.15   0.371% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  22.26 +/- 4.38   0.208% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  25.56 +/- 3.78   0.266% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  23.53 +/- 2.76   0.115% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  17.55 +/- 1.88   0.269% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  14.41 +/- 1.89   0.518% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  18.60 +/- 2.12   0.277% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  20.67 +/- 2.69   0.182% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  26.36 +/- 3.40   0.085% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.888, support = 3.25, residual support = 11.1:
          HB2   ASP-  76 - HB3   GLU-  79   3.28 +/- 1.29  61.096% * 34.6924% (1.00  1.00   1.97   2.70) =  53.173%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.20 +/- 0.95  29.349% * 63.5445% (0.76  1.00   4.71  20.59) =  46.786%  kept
        T HB2   ASN   28 - HB3   GLU-  79  16.88 +/- 4.60   1.182% *  0.6183% (0.18 10.00   0.02   0.02) =   0.018%
          HB2   ASP-  78 - HB2   GLN   90  14.40 +/- 4.62   2.551% *  0.1003% (0.28  1.00   0.02   0.02) =   0.006%
          HB2   ASP-  76 - HB2   GLN   90  14.92 +/- 3.23   1.439% *  0.1309% (0.37  1.00   0.02   0.02) =   0.005%
          HB2   ASN   69 - HB3   GLU-  79  22.42 +/- 3.33   0.457% *  0.3407% (0.97  1.00   0.02   0.02) =   0.004%
          QE    LYS+  66 - HB3   GLU-  79  18.15 +/- 3.55   1.406% *  0.0699% (0.20  1.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   GLU-  79  18.27 +/- 3.53   0.987% *  0.0880% (0.25  1.00   0.02   0.02) =   0.002%
        T HB2   ASN   28 - HB2   GLN   90  25.26 +/- 4.94   0.199% *  0.2297% (0.07 10.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB2   GLN   90  22.37 +/- 4.86   0.972% *  0.0260% (0.07  1.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HB2   GLN   90  27.42 +/- 3.74   0.181% *  0.1266% (0.36  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HB2   GLN   90  25.42 +/- 2.17   0.183% *  0.0327% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 4.4, residual support = 56.6:
      O T HA    GLU-  79 - HB3   GLU-  79   2.72 +/- 0.22  74.848% * 97.6601% (0.80  10.0 10.00   4.40  56.65) =  99.915%  kept
          HB    THR   77 - HB3   GLU-  79   7.85 +/- 0.92   4.208% *  1.2499% (0.31   1.0  1.00   0.66   0.02) =   0.072%
        T HA    GLU-  79 - HB2   GLN   90  14.85 +/- 3.64   1.051% *  0.3629% (0.30   1.0 10.00   0.02   0.02) =   0.005%
          HA1   GLY   51 - HB3   GLU-  79  18.69 +/- 5.44   1.188% *  0.1154% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HB2   GLN   90  12.09 +/- 5.95   6.724% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLN   90   7.61 +/- 1.68   5.799% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   GLU-  79  17.59 +/- 4.52   0.675% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  12.62 +/- 1.63   1.117% *  0.0376% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  11.93 +/- 1.66   1.184% *  0.0304% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  18.23 +/- 4.06   0.627% *  0.0501% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  17.07 +/- 4.17   0.507% *  0.0429% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  21.47 +/- 2.18   0.173% *  0.1058% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  19.79 +/- 3.31   0.276% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.89 +/- 1.48   0.664% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  18.84 +/- 2.46   0.323% *  0.0186% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  28.00 +/- 5.57   0.194% *  0.0272% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  24.89 +/- 2.52   0.142% *  0.0339% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  26.96 +/- 2.16   0.086% *  0.0393% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  22.26 +/- 3.02   0.173% *  0.0126% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.30 +/- 4.94   0.038% *  0.0101% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.268, support = 3.94, residual support = 88.1:
      O T HA    GLN   90 - HB2   GLN   90   2.56 +/- 0.17  78.234% * 87.0284% (0.27  10.0 10.00   3.96  89.29) =  97.906%  kept
          HA    ALA   91 - HB2   GLN   90   4.67 +/- 0.43  15.000% *  9.4608% (0.18   1.0  1.00   3.24  32.35) =   2.041%  kept
        T HA    GLN   90 - HB3   GLU-  79  13.05 +/- 3.71   1.324% *  2.3423% (0.73   1.0 10.00   0.02   0.02) =   0.045%
          HA    ALA  110 - HB2   GLN   90  13.34 +/- 3.73   2.169% *  0.1001% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HB3   GLU-  79  15.03 +/- 3.41   0.600% *  0.1570% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HB3   GLU-  79  13.68 +/- 4.40   1.010% *  0.0897% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   GLU-  79  19.08 +/- 2.31   0.248% *  0.2087% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLU-  79  21.01 +/- 4.05   0.301% *  0.1697% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB2   GLN   90  14.38 +/- 2.62   0.580% *  0.0775% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB3   GLU-  79  20.70 +/- 2.20   0.165% *  0.2694% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB2   GLN   90  20.09 +/- 3.48   0.223% *  0.0631% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  22.83 +/- 3.80   0.147% *  0.0333% (0.10   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 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.895, support = 3.03, residual support = 10.6:
          HB2   ASP-  76 - HB2   GLU-  79   3.06 +/- 1.18  68.503% * 33.4406% (1.00   1.79   2.70) =  56.064%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.34 +/- 0.93  27.207% * 65.9645% (0.76   4.61  20.59) =  43.924%  kept
          HB2   ASN   69 - HB2   GLU-  79  22.20 +/- 3.10   0.568% *  0.3616% (0.97   0.02   0.02) =   0.005%
          QE    LYS+  66 - HB2   GLU-  79  17.99 +/- 3.44   2.075% *  0.0742% (0.20   0.02   0.02) =   0.004%
          QE    LYS+  33 - HB2   GLU-  79  18.22 +/- 3.51   0.906% *  0.0934% (0.25   0.02   0.02) =   0.002%
          HB2   ASN   28 - HB2   GLU-  79  16.78 +/- 4.60   0.741% *  0.0656% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.7, residual support = 49.3:
          HN    LEU   80 - HB2   GLU-  79   2.99 +/- 0.46  93.411% * 98.5998% (0.61   5.70  49.30) =  99.979%  kept
          HN    SER   85 - HB2   GLU-  79   9.91 +/- 1.43   3.554% *  0.2776% (0.49   0.02   0.02) =   0.011%
          HN    CYS   53 - HB2   GLU-  79  17.04 +/- 4.36   1.825% *  0.2140% (0.38   0.02   0.02) =   0.004%
          HN    GLN   32 - HB2   GLU-  79  18.77 +/- 4.16   0.563% *  0.4946% (0.87   0.02   0.02) =   0.003%
          HN    ALA   34 - HB2   GLU-  79  19.31 +/- 3.45   0.647% *  0.4141% (0.73   0.02   0.02) =   0.003%
    Distance limit 3.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 5.87, residual support = 49.3:
          HN    LEU   80 - HB3   GLU-  79   3.29 +/- 0.77  79.902% * 98.0233% (0.61   5.88  49.30) =  99.953%  kept
          HN    SER   85 - HB3   GLU-  79  10.24 +/- 1.49   3.720% *  0.2678% (0.49   0.02   0.02) =   0.013%
          HN    SER   85 - HB2   GLN   90   8.82 +/- 2.10   7.569% *  0.0995% (0.18   0.02   0.02) =   0.010%
          HN    GLN   32 - HB3   GLU-  79  18.90 +/- 4.25   1.127% *  0.4772% (0.87   0.02   0.02) =   0.007%
          HN    CYS   53 - HB3   GLU-  79  17.23 +/- 4.57   2.250% *  0.2065% (0.38   0.02   0.02) =   0.006%
          HN    ALA   34 - HB3   GLU-  79  19.50 +/- 3.55   1.061% *  0.3994% (0.73   0.02   0.02) =   0.005%
          HN    LEU   80 - HB2   GLN   90  13.35 +/- 3.22   2.236% *  0.1240% (0.23   0.02   0.02) =   0.004%
          HN    CYS   53 - HB2   GLN   90  16.12 +/- 4.08   1.673% *  0.0767% (0.14   0.02   0.02) =   0.002%
          HN    GLN   32 - HB2   GLN   90  26.36 +/- 3.60   0.239% *  0.1773% (0.32   0.02   0.02) =   0.001%
          HN    ALA   34 - HB2   GLN   90  26.60 +/- 2.32   0.222% *  0.1484% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.58, residual support = 89.2:
      O   HN    GLN   90 - HB2   GLN   90   3.85 +/- 0.21  78.012% * 97.9749% (0.23  10.0   5.59  89.29) =  99.880%  kept
          HN    GLY  109 - HB2   GLN   90  11.00 +/- 4.06   8.089% *  0.8021% (0.33   1.0   0.11   0.02) =   0.085%
          HN    GLN   90 - HB3   GLU-  79  13.48 +/- 2.93   3.630% *  0.2637% (0.61   1.0   0.02   0.02) =   0.013%
          HN    ILE  103 - HB3   GLU-  79  19.37 +/- 5.01   2.628% *  0.3481% (0.80   1.0   0.02   0.02) =   0.012%
          HE1   HIS   22 - HB3   GLU-  79  13.57 +/- 5.15   5.544% *  0.0671% (0.15   1.0   0.02   0.02) =   0.005%
          HN    GLY  109 - HB3   GLU-  79  18.73 +/- 2.34   0.776% *  0.3899% (0.90   1.0   0.02   0.02) =   0.004%
          HN    ILE  103 - HB2   GLN   90  19.63 +/- 2.64   0.777% *  0.1293% (0.30   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB2   GLN   90  25.06 +/- 5.26   0.544% *  0.0249% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 49.3:
          HN    LEU   80 - QG    GLU-  79   3.51 +/- 0.84  76.356% * 98.4793% (0.61   5.24  49.30) =  99.909%  kept
          HN    SER   85 - QG    GLU-  79   9.08 +/- 1.67  10.346% *  0.3014% (0.49   0.02   0.02) =   0.041%
          HN    CYS   53 - QG    GLU-  79  16.28 +/- 4.32  10.932% *  0.2324% (0.38   0.02   0.02) =   0.034%
          HN    GLN   32 - QG    GLU-  79  16.97 +/- 3.89   1.241% *  0.5372% (0.87   0.02   0.02) =   0.009%
          HN    ALA   34 - QG    GLU-  79  17.55 +/- 3.10   1.125% *  0.4497% (0.73   0.02   0.02) =   0.007%
    Distance limit 3.68 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.6, residual support = 49.3:
      O   HN    LEU   80 - HA    GLU-  79   3.46 +/- 0.27  93.202% * 99.2120% (0.28  10.0   5.60  49.30) =  99.979%  kept
          HN    SER   85 - HA    GLU-  79  10.13 +/- 0.90   4.414% *  0.2980% (0.84   1.0   0.02   0.02) =   0.014%
          HN    GLN   32 - HA    GLU-  79  19.71 +/- 4.20   1.365% *  0.3560% (1.00   1.0   0.02   0.02) =   0.005%
          HN    ALA   34 - HA    GLU-  79  20.44 +/- 3.69   1.019% *  0.1339% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.683, support = 4.51, residual support = 85.8:
      O   HB2   LEU   80 - QD2   LEU   80   2.42 +/- 0.38  38.853% * 71.2691% (0.87  10.0  1.00   4.27  85.83) =  64.970%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.02  53.245% * 28.0259% (0.34  10.0  1.00   4.96  85.83) =  35.014%  kept
        T HB3   LEU   73 - QD2   LEU   80  10.08 +/- 4.20   1.433% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LYS+  74 - QD2   LEU   80   9.53 +/- 3.38   2.108% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QD2   LEU   80  20.43 +/- 4.78   1.373% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QB    LEU   98 - QD2   LEU   80  11.98 +/- 3.06   0.560% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD2   LEU   80  13.90 +/- 5.80   0.409% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  15.55 +/- 6.30   0.440% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  13.41 +/- 3.17   0.316% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  15.32 +/- 2.92   0.313% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  19.30 +/- 4.88   0.105% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.77 +/- 2.27   0.352% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  15.70 +/- 2.23   0.156% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  17.98 +/- 4.70   0.252% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  19.60 +/- 3.00   0.084% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.871, support = 5.66, residual support = 76.3:
          HA    LEU   80 - QD2   LEU   80   2.61 +/- 0.66  63.460% * 60.4847% (0.87   6.21  85.83) =  88.680%  kept
          HA    THR   23 - QD2   LEU   80  10.29 +/- 6.90  18.377% * 15.6359% (0.99   1.40   0.65) =   6.639%  kept
          HA    ASP-  78 - QD2   LEU   80   6.90 +/- 1.54  11.182% * 10.2421% (0.80   1.14   6.21) =   2.646%  kept
          HB    THR   23 - QD2   LEU   80  11.36 +/- 6.87   6.503% * 13.5367% (0.73   1.66   0.65) =   2.034%  kept
          HA    ASP- 105 - QD2   LEU   80  17.28 +/- 3.37   0.478% *  0.1007% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.78 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.528, support = 4.41, residual support = 26.7:
          HN    LYS+  81 - QD2   LEU   80   4.04 +/- 1.15  46.836% * 46.7953% (0.38   5.97  40.48) =  61.871%  kept
          HE3   TRP   27 - QD2   LEU   80  10.00 +/- 6.44  27.850% * 34.5651% (0.92   1.79   5.86) =  27.175%  kept
          HN    THR   23 - QD2   LEU   80  10.15 +/- 6.40  21.474% * 18.0329% (0.41   2.10   0.65) =  10.931%  kept
          QD    PHE   55 - QD2   LEU   80  17.28 +/- 3.09   1.249% *  0.3626% (0.87   0.02   0.02) =   0.013%
          QE    PHE   95 - QD2   LEU   80  12.56 +/- 1.47   1.764% *  0.1874% (0.45   0.02   0.02) =   0.009%
          HN    LEU   67 - QD2   LEU   80  16.18 +/- 2.07   0.828% *  0.0566% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 2.0, residual support = 4.24:
          HN    VAL   24 - QD2   LEU   80   9.63 +/- 6.93  58.848% * 99.2860% (0.31   2.01   4.26) =  99.500%  kept
          HN    VAL   43 - QD2   LEU   80  11.22 +/- 2.82  41.152% *  0.7140% (0.22   0.02   0.02) =   0.500%  kept
    Distance limit 3.54 A violated in 11 structures by 4.26 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.273, support = 4.81, residual support = 36.3:
          HN    LYS+  81 - QD1   LEU   80   3.65 +/- 0.99  45.606% * 72.8975% (0.24   5.37  40.48) =  88.455%  kept
          HE3   TRP   27 - QD1   LEU   80  11.02 +/- 6.28  16.466% * 19.3474% (0.60   0.58   5.86) =   8.476%  kept
          HN    THR   23 - QD1   LEU   80  10.69 +/- 6.80  20.536% *  5.3932% (0.27   0.36   0.65) =   2.947%  kept
          HE3   TRP   27 - QD2   LEU   98   9.85 +/- 3.21   4.657% *  0.3830% (0.34   0.02   0.02) =   0.047%
          QD    PHE   55 - QD1   LEU   80  17.01 +/- 3.26   1.052% *  0.6279% (0.56   0.02   0.02) =   0.018%
          QE    PHE   95 - QD2   LEU   98  10.40 +/- 1.72   2.940% *  0.1860% (0.17   0.02   0.02) =   0.015%
          QE    PHE   95 - QD1   LEU   80  12.53 +/- 1.70   1.510% *  0.3245% (0.29   0.02   0.02) =   0.013%
          HN    THR   23 - QD2   LEU   98  14.18 +/- 4.10   2.553% *  0.1706% (0.15   0.02   0.02) =   0.012%
          HN    LYS+  81 - QD2   LEU   98  13.98 +/- 2.93   1.756% *  0.1557% (0.14   0.02   0.02) =   0.007%
          QD    PHE   55 - QD2   LEU   98  16.79 +/- 2.09   0.661% *  0.3599% (0.32   0.02   0.02) =   0.006%
          HN    LEU   67 - QD2   LEU   98  13.15 +/- 2.39   1.558% *  0.0562% (0.05   0.02   0.02) =   0.002%
          HN    LEU   67 - QD1   LEU   80  16.56 +/- 2.64   0.704% *  0.0980% (0.09   0.02   0.02) =   0.002%
    Distance limit 3.42 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.18, residual support = 105.0:
          HN    LYS+  81 - QG    LYS+  81   2.79 +/- 0.61  86.237% * 97.0685% (0.87   5.18 104.99) =  99.963%  kept
          HE3   TRP   27 - QG    LYS+  81  15.81 +/- 4.50   1.078% *  1.7734% (0.45   0.18   0.02) =   0.023%
          HE3   TRP   27 - HG2   LYS+  33   8.81 +/- 1.32   3.846% *  0.0927% (0.21   0.02   0.02) =   0.004%
          QD    PHE   60 - QG    LYS+  81  15.03 +/- 3.05   1.140% *  0.2273% (0.53   0.02   0.02) =   0.003%
          QD    PHE   55 - QG    LYS+  81  17.51 +/- 3.54   0.834% *  0.1621% (0.38   0.02   0.02) =   0.002%
          QD    PHE   60 - HG2   LYS+  33  15.42 +/- 3.05   0.790% *  0.1088% (0.25   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+ 106  13.79 +/- 2.19   1.310% *  0.0500% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+  33  22.37 +/- 5.26   0.358% *  0.1794% (0.42   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+ 106  18.14 +/- 2.76   0.484% *  0.0825% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  16.94 +/- 3.74   1.382% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  16.83 +/- 2.65   0.723% *  0.0426% (0.10   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.31 +/- 2.25   0.738% *  0.0357% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  19.40 +/- 2.52   0.387% *  0.0585% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  24.20 +/- 3.61   0.209% *  0.0776% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.30 +/- 2.71   0.486% *  0.0129% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.655, residual support = 1.29:
          HN    GLU-  79 - QG    LYS+  81   6.22 +/- 1.27  49.354% * 93.1338% (0.65   0.66   1.30) =  99.181%  kept
          HN    THR   94 - QG    LYS+  81  11.73 +/- 2.27   9.781% *  1.0877% (0.25   0.02   0.02) =   0.230%  kept
          HN    VAL   70 - HG2   LYS+  33  13.68 +/- 2.99  11.382% *  0.8586% (0.20   0.02   0.02) =   0.211%  kept
          HN    GLU-  79 - HG2   LYS+  33  20.17 +/- 3.99   5.001% *  1.3510% (0.31   0.02   0.02) =   0.146%  kept
          HN    THR   94 - HG2   LYS+ 106  10.66 +/- 1.45  14.709% *  0.2393% (0.05   0.02   0.02) =   0.076%
          HN    VAL   70 - QG    LYS+  81  21.34 +/- 1.83   1.674% *  1.7933% (0.41   0.02   0.02) =   0.065%
          HN    GLU-  79 - HG2   LYS+ 106  17.74 +/- 3.06   3.777% *  0.6209% (0.14   0.02   0.02) =   0.051%
          HN    VAL   70 - HG2   LYS+ 106  18.37 +/- 2.86   2.717% *  0.3946% (0.09   0.02   0.02) =   0.023%
          HN    THR   94 - HG2   LYS+  33  21.02 +/- 1.77   1.604% *  0.5208% (0.12   0.02   0.02) =   0.018%
    Distance limit 3.87 A violated in 12 structures by 2.22 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.76, residual support = 104.9:
      O   HN    LYS+  81 - QB    LYS+  81   2.23 +/- 0.23  78.667% * 98.5917% (0.38  10.0   5.76 104.99) =  99.909%  kept
          QD    PHE   55 - HB3   PRO   52   5.16 +/- 1.01  11.018% *  0.6075% (0.10   1.0   0.46   0.37) =   0.086%
          QE    PHE   95 - HB3   PRO   52   9.95 +/- 2.54   7.900% *  0.0135% (0.05   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - QB    LYS+  81  15.62 +/- 4.41   0.410% *  0.2425% (0.92   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    LYS+  81  18.16 +/- 3.20   0.226% *  0.2279% (0.87   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - QB    LYS+  81  15.14 +/- 5.21   0.476% *  0.1080% (0.41   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - QB    LYS+  81  14.20 +/- 1.61   0.387% *  0.1178% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    LYS+  81  20.32 +/- 2.42   0.172% *  0.0356% (0.14   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  21.45 +/- 3.95   0.161% *  0.0278% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  22.54 +/- 4.92   0.228% *  0.0124% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  19.80 +/- 4.11   0.172% *  0.0113% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  19.15 +/- 3.10   0.183% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.38, residual support = 105.0:
      O   HN    LYS+  81 - HA    LYS+  81   2.80 +/- 0.05  97.313% * 99.8291% (0.87  10.0   5.38 104.99) =  99.999%  kept
          QD    PHE   60 - HA    LYS+  81  15.51 +/- 2.98   0.837% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HA    LYS+  81  15.94 +/- 4.67   0.935% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  18.79 +/- 3.37   0.489% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  20.31 +/- 2.94   0.426% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.617, support = 3.55, residual support = 24.5:
          HA    LEU   80 - QG    LYS+  81   4.79 +/- 0.75  37.662% * 58.4291% (0.38   5.07  40.48) =  59.891%  kept
          HA    ASP-  78 - QG    LYS+  81   5.13 +/- 2.06  38.200% * 38.3475% (0.98   1.27   0.52) =  39.868%  kept
          HA    THR   23 - QG    LYS+  81  15.29 +/- 6.04   2.925% *  1.8932% (0.76   0.08   0.02) =   0.151%  kept
          HA    ASP-  78 - HG2   LYS+  33  22.64 +/- 4.73   6.718% *  0.2881% (0.47   0.02   0.02) =   0.053%
          HA    PHE   45 - QG    LYS+  81  10.28 +/- 2.85   3.680% *  0.0947% (0.15   0.02   0.02) =   0.009%
          HB    THR   23 - QG    LYS+  81  16.35 +/- 6.06   2.037% *  0.1531% (0.25   0.02   0.02) =   0.008%
          HA    THR   23 - HG2   LYS+  33  14.30 +/- 1.15   1.064% *  0.2246% (0.37   0.02   0.02) =   0.007%
          HA    LEU   80 - HG2   LYS+  33  20.56 +/- 5.51   1.052% *  0.1103% (0.18   0.02   0.02) =   0.003%
          HA    ASP-  78 - HG2   LYS+ 106  18.87 +/- 3.35   0.760% *  0.1324% (0.22   0.02   0.02) =   0.003%
          HB    THR   23 - HG2   LYS+  33  13.34 +/- 1.73   1.363% *  0.0733% (0.12   0.02   0.02) =   0.003%
          HA    LEU   80 - HG2   LYS+ 106  17.74 +/- 3.42   0.957% *  0.0507% (0.08   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+ 106  12.38 +/- 1.85   2.284% *  0.0208% (0.03   0.02   0.02) =   0.001%
          HA    THR   23 - HG2   LYS+ 106  22.32 +/- 3.79   0.447% *  0.1032% (0.17   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+  33  18.89 +/- 1.12   0.469% *  0.0453% (0.07   0.02   0.02) =   0.001%
          HB    THR   23 - HG2   LYS+ 106  23.05 +/- 3.47   0.382% *  0.0337% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.4, residual support = 33.2:
      O   HN    SER   82 - HB3   SER   82   2.73 +/- 0.57  99.465% * 99.5254% (0.41  10.0   3.40  33.24) =  99.999%  kept
          HN    SER  117 - HB3   SER   82  26.12 +/- 3.26   0.274% *  0.2373% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - HB3   SER   82  25.61 +/- 6.53   0.260% *  0.2373% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 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 = 0.374, support = 3.29, residual support = 14.5:
      O   HN    TRP   49 - HA    SER   48   3.53 +/- 0.06  31.249% * 84.6064% (0.40  10.0   3.25  14.40) =  83.337%  kept
          HN    VAL   83 - HB2   SER   82   3.28 +/- 0.52  40.892% * 10.2811% (0.24   1.0   4.09  19.05) =  13.252%  kept
          HN    CYS   50 - HA    SER   48   4.30 +/- 1.09  23.785% *  4.5428% (0.36   1.0   1.19   0.02) =   3.406%  kept
          HN    TRP   49 - HB2   SER   82  18.69 +/- 3.62   0.273% *  0.1541% (0.72   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    VAL   70  10.84 +/- 1.90   1.449% *  0.0239% (0.11   1.0   0.02   0.02) =   0.001%
          HN    CYS   50 - HB2   SER   82  20.11 +/- 4.03   0.233% *  0.1385% (0.65   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HB2   SER   82  19.19 +/- 5.93   0.371% *  0.0688% (0.32   1.0   0.02   0.02) =   0.001%
          HN    VAL   83 - HA    SER   48  15.29 +/- 4.16   0.758% *  0.0276% (0.13   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    SER   48  19.86 +/- 3.76   0.375% *  0.0378% (0.18   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  21.67 +/- 3.74   0.206% *  0.0535% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  20.98 +/- 3.39   0.229% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  20.83 +/- 2.74   0.180% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.0, residual support = 33.2:
      O   HN    SER   82 - HB2   SER   82   2.80 +/- 0.53  89.844% * 99.0159% (0.39  10.0   4.00  33.24) =  99.990%  kept
          HN    GLY   16 - HA    VAL   70  10.91 +/- 5.64   5.937% *  0.0820% (0.32   1.0   0.02   0.02) =   0.005%
          HN    SER   82 - HA    SER   48  15.23 +/- 4.79   2.482% *  0.0544% (0.21   1.0   0.02   0.02) =   0.002%
          HN    GLY   16 - HB2   SER   82  25.73 +/- 6.61   0.324% *  0.2361% (0.93   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    SER   48  20.26 +/- 3.40   0.451% *  0.1296% (0.51   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HB2   SER   82  26.40 +/- 3.15   0.141% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  20.61 +/- 2.91   0.333% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  24.56 +/- 5.07   0.205% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  22.76 +/- 2.47   0.282% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 40.2:
          HN    ALA   84 - HB    VAL   83   3.40 +/- 0.29  97.886% * 98.8134% (0.44   5.33  40.18) =  99.991%  kept
          HE21  GLN   32 - HB    VAL   83  21.24 +/- 6.67   0.912% *  0.6827% (0.80   0.02   0.02) =   0.006%
          HN    LYS+ 111 - HB    VAL   83  20.07 +/- 2.91   0.539% *  0.3706% (0.44   0.02   0.02) =   0.002%
          HN    ILE   56 - HB    VAL   83  19.85 +/- 2.95   0.663% *  0.1333% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 85.4:
      O   HN    VAL   83 - HB    VAL   83   2.34 +/- 0.55  98.754% * 99.8243% (0.65  10.0   4.77  85.37) =  99.999%  kept
          HN    CYS   50 - HB    VAL   83  17.23 +/- 3.68   0.574% *  0.1375% (0.90   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HB    VAL   83  16.24 +/- 3.06   0.672% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.881, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   7.59 +/- 1.29  54.275% * 31.7530% (0.96   0.02   0.02) =  64.715%  kept
          HD21  ASN   28 - HA    ALA   84  15.95 +/- 6.16  17.947% * 30.7120% (0.93   0.02   0.02) =  20.698%  kept
          QE    PHE   60 - HA    ALA   84  13.96 +/- 3.23  16.056% * 16.7431% (0.51   0.02   0.02) =  10.095%  kept
          HN    LEU   63 - HA    ALA   84  17.17 +/- 1.08   5.144% * 11.9438% (0.36   0.02   0.02) =   2.307%  kept
          HN    ILE   56 - HA    ALA   84  18.01 +/- 2.41   6.578% *  8.8482% (0.27   0.02   0.02) =   2.185%  kept
    Distance limit 3.56 A violated in 19 structures by 3.74 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.254, residual support = 0.435:
          QE    PHE   45 - HA    ALA   84   4.60 +/- 2.63  82.212% * 88.6568% (0.81   0.26   0.44) =  98.583%  kept
          QD    PHE   72 - HA    ALA   84  13.40 +/- 1.56   9.735% *  7.9546% (0.93   0.02   0.02) =   1.047%  kept
          HZ    PHE   72 - HA    ALA   84  15.41 +/- 1.57   8.053% *  3.3886% (0.40   0.02   0.02) =   0.369%  kept
    Distance limit 4.12 A violated in 5 structures by 1.13 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 = 1.5, residual support = 13.3:
          HB    ILE   89 - HA    ALA   84   3.49 +/- 2.06  85.204% * 98.5902% (0.91   1.50  13.35) =  99.871%  kept
          HB3   LYS+  99 - HA    ALA   84  18.21 +/- 2.76   9.999% *  0.7867% (0.55   0.02   0.02) =   0.094%
          QG1   ILE   56 - HA    ALA   84  14.81 +/- 2.16   4.797% *  0.6230% (0.43   0.02   0.02) =   0.036%
    Distance limit 3.90 A violated in 2 structures by 0.57 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.778, support = 3.21, residual support = 26.6:
          QD1   ILE   89 - HA    ALA   84   3.57 +/- 1.33  46.605% * 53.3559% (0.89   2.96  13.35) =  50.466%  kept
          QG2   VAL   83 - HA    ALA   84   3.33 +/- 0.65  52.435% * 46.5466% (0.66   3.47  40.18) =  49.532%  kept
          QD2   LEU   31 - HA    ALA   84  13.70 +/- 3.83   0.960% *  0.0975% (0.24   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.96, residual support = 13.4:
          HG13  ILE   89 - HA    ALA   84   3.98 +/- 2.14 100.000% *100.0000% (0.55   2.96  13.35) = 100.000%  kept
    Distance limit 3.89 A violated in 4 structures by 0.90 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.775, support = 3.75, residual support = 26.9:
          QG2   VAL   83 - QB    ALA   84   3.71 +/- 0.68  55.491% * 43.5414% (0.66  1.00   3.85  40.18) =  50.556%  kept
          QD1   ILE   89 - QB    ALA   84   4.25 +/- 1.17  42.441% * 55.6365% (0.89  1.00   3.66  13.35) =  49.408%  kept
        T QD2   LEU   31 - QB    ALA   84  12.41 +/- 3.20   2.068% *  0.8221% (0.24 10.00   0.02   0.02) =   0.036%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.66, residual support = 13.4:
          HG13  ILE   89 - QB    ALA   84   4.44 +/- 1.75 100.000% *100.0000% (0.55   3.66  13.35) = 100.000%  kept
    Distance limit 3.82 A violated in 4 structures by 0.87 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.862, support = 0.196, residual support = 0.439:
          QD    PHE   45 - QB    ALA   84   5.08 +/- 2.18  80.931% * 96.4070% (0.87   0.20   0.44) =  99.547%  kept
          HD2   HIS  122 - QB    ALA   84  17.77 +/- 2.40  15.183% *  1.9101% (0.17   0.02   0.02) =   0.370%  kept
          HE22  GLN  116 - QB    ALA   84  20.27 +/- 2.06   3.885% *  1.6829% (0.15   0.02   0.02) =   0.083%
    Distance limit 4.04 A violated in 5 structures by 1.12 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 = 0.715, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  11.29 +/- 3.43  57.665% * 28.9138% (0.59   0.02   0.02) =  50.047%  kept
          HE22  GLN   30 - QB    ALA   84  15.93 +/- 3.06  28.789% * 46.0056% (0.93   0.02   0.02) =  39.755%  kept
          HD22  ASN   69 - QB    ALA   84  20.40 +/- 2.02  13.546% * 25.0806% (0.51   0.02   0.02) =  10.198%  kept
    Distance limit 4.26 A violated in 19 structures by 6.28 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.0:
      O   HN    SER   85 - QB    SER   85   2.17 +/- 0.10  94.565% * 99.7822% (0.99  10.0   3.15  18.03) =  99.999%  kept
          HN    SER   85 - QB    SER   48  13.63 +/- 4.18   1.423% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.00 +/- 4.68   0.856% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  20.56 +/- 5.40   0.183% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  12.56 +/- 0.90   0.520% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  10.72 +/- 1.07   0.885% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  21.43 +/- 4.00   0.128% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  20.83 +/- 2.67   0.146% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  22.08 +/- 4.47   0.505% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.82 +/- 1.82   0.550% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.17 +/- 4.01   0.108% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  23.31 +/- 4.23   0.132% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 13.5:
          HN    ASP-  86 - QB    SER   85   2.95 +/- 0.08  88.646% * 97.6160% (0.87   3.33  13.45) =  99.983%  kept
          HN    GLU-  29 - QB    SER   85  19.73 +/- 5.82   0.548% *  0.6629% (0.98   0.02   0.02) =   0.004%
          HN    ASP-  86 - QB    SER   48  14.78 +/- 3.81   1.949% *  0.1430% (0.21   0.02   0.02) =   0.003%
          HN    GLN   30 - QB    SER   85  19.62 +/- 4.98   0.477% *  0.5415% (0.80   0.02   0.02) =   0.003%
          HN    GLU-  29 - QB    SER   48  20.92 +/- 4.69   1.060% *  0.1616% (0.24   0.02   0.02) =   0.002%
          HN    GLN   30 - QB    SER   48  20.16 +/- 4.44   1.249% *  0.1321% (0.20   0.02   0.02) =   0.002%
          HE1   HIS  122 - QB    SER   85  21.68 +/- 4.44   0.436% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  20.52 +/- 2.87   0.390% *  0.0905% (0.13   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  22.44 +/- 4.54   0.383% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  11.06 +/- 0.72   1.773% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  27.41 +/- 4.18   0.163% *  0.1506% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  19.25 +/- 4.24   1.076% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  23.60 +/- 3.48   0.242% *  0.0836% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  24.98 +/- 3.42   0.186% *  0.1023% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  18.83 +/- 5.57   0.804% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  25.17 +/- 5.29   0.234% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  21.81 +/- 2.21   0.247% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  27.41 +/- 3.62   0.136% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.4:
      O   HN    SER  117 - QB    SER  117   2.17 +/- 0.09  99.009% * 98.5738% (0.12  10.0   2.79  15.39) =  99.998%  kept
          HN    SER  117 - QB    SER   48  19.12 +/- 3.61   0.507% *  0.1558% (0.20   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   85  21.81 +/- 2.51   0.120% *  0.6389% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - QB    SER   85  25.17 +/- 4.89   0.134% *  0.4517% (0.57   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - QB    SER   48  22.81 +/- 5.15   0.145% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  24.25 +/- 2.88   0.085% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 +/- 0.02  98.249% * 99.8725% (0.99  10.0   3.65  18.03) =  99.999%  kept
          HN    THR   94 - HA    SER   85  12.31 +/- 1.21   1.279% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  23.05 +/- 5.20   0.268% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  23.75 +/- 3.72   0.204% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.55, residual support = 42.5:
      O   HN    ASP-  86 - HB3   ASP-  86   2.77 +/- 0.60  95.261% * 99.6620% (0.95  10.0   3.55  42.54) =  99.997%  kept
          HE1   HIS  122 - HB3   ASP-  86  20.98 +/- 6.15   1.634% *  0.0554% (0.53   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB3   ASP-  86  17.94 +/- 5.96   0.867% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   ASP-  86  18.26 +/- 6.75   0.992% *  0.0596% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   ASP-  86  15.17 +/- 1.95   1.047% *  0.0472% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB3   ASP-  86  26.85 +/- 5.43   0.199% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.03, residual support = 42.5:
      O   HN    ASP-  86 - HB2   ASP-  86   2.48 +/- 0.36  97.258% * 99.2641% (0.49  10.0   5.03  42.54) =  99.996%  kept
          HN    LYS+  99 - HB2   ASP-  86  14.96 +/- 2.12   0.614% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASP-  86  20.37 +/- 5.76   0.446% *  0.1968% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB2   ASP-  86  17.84 +/- 5.53   0.692% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   ASP-  86  26.57 +/- 5.27   0.230% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  18.26 +/- 6.26   0.759% *  0.0315% (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 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.428, support = 3.6, residual support = 22.7:
          HD1   TRP   87 - HB2   ASP-  86   2.99 +/- 0.37  81.653% * 37.5874% (0.38   3.60  22.69) =  77.139%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.91 +/- 0.97  14.976% * 60.6217% (0.61   3.59  22.69) =  22.819%  kept
          HN    ALA   91 - HB2   ASP-  86  11.38 +/- 0.58   1.625% *  0.5263% (0.95   0.02   0.02) =   0.022%
          HN    TRP   27 - HB2   ASP-  86  16.65 +/- 5.82   1.062% *  0.5369% (0.97   0.02   0.02) =   0.014%
          HN    ALA   61 - HB2   ASP-  86  19.34 +/- 2.04   0.350% *  0.4990% (0.90   0.02   0.02) =   0.004%
          HN    THR   39 - HB2   ASP-  86  20.98 +/- 3.29   0.333% *  0.2287% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.25, residual support = 10.8:
        T HA    VAL   83 - HB2   ASP-  86   2.60 +/- 0.53  92.260% * 95.5138% (0.22 10.00   2.25  10.79) =  99.809%  kept
          HB3   SER   82 - HB2   ASP-  86   6.82 +/- 0.86   5.546% *  2.9458% (0.41  1.00   0.33   0.02) =   0.185%  kept
          HA    GLN   30 - HB2   ASP-  86  19.24 +/- 4.87   0.493% *  0.4140% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HB2   ASP-  86  19.53 +/- 2.86   0.300% *  0.3848% (0.90  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HB2   ASP-  86  20.79 +/- 2.37   0.236% *  0.3960% (0.92  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - HB2   ASP-  86  17.70 +/- 2.28   0.437% *  0.0849% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  22.18 +/- 2.54   0.205% *  0.1193% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  20.17 +/- 3.04   0.296% *  0.0662% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  24.82 +/- 5.03   0.227% *  0.0751% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.16, residual support = 42.5:
      O   HN    ASP-  86 - HA    ASP-  86   2.73 +/- 0.02  97.925% * 99.2641% (0.49  10.0   4.16  42.54) =  99.997%  kept
          HN    LYS+  99 - HA    ASP-  86  16.44 +/- 1.91   0.515% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASP-  86  22.49 +/- 5.74   0.447% *  0.1968% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    ASP-  86  20.02 +/- 5.77   0.442% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    ASP-  86  28.95 +/- 5.32   0.160% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  20.26 +/- 6.68   0.512% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.54, residual support = 70.6:
          HE3   TRP   87 - HA    TRP   87   3.52 +/- 0.33  92.148% * 98.5737% (0.99   3.54  70.64) =  99.962%  kept
          HN    ALA   91 - HA    TRP   87   9.78 +/- 0.66   5.460% *  0.4872% (0.87   0.02   0.02) =   0.029%
          HN    ALA   61 - HA    TRP   87  19.24 +/- 2.04   0.777% *  0.5185% (0.92   0.02   0.02) =   0.004%
          HN    TRP   27 - HA    TRP   87  19.14 +/- 4.53   0.940% *  0.2955% (0.53   0.02   5.59) =   0.003%
          HN    GLN   17 - HA    TRP   87  24.32 +/- 4.67   0.676% *  0.1251% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.13 A violated in 1 structures by 0.39 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 70.6:
      O   HE3   TRP   87 - HB2   TRP   87   2.44 +/- 0.17  97.073% * 99.7445% (0.99  10.0   3.23  70.64) =  99.998%  kept
          HN    ALA   91 - HB2   TRP   87   9.22 +/- 0.87   1.959% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB2   TRP   87  17.45 +/- 1.99   0.315% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  18.42 +/- 4.31   0.355% *  0.0529% (0.53   1.0   0.02   5.59) =   0.000%
          HN    GLN   17 - HB2   TRP   87  22.96 +/- 4.64   0.298% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 70.6:
      O   HE3   TRP   87 - HB3   TRP   87   3.89 +/- 0.29  85.064% * 99.7445% (0.99  10.0   3.23  70.64) =  99.986%  kept
          HN    ALA   91 - HB3   TRP   87   7.99 +/- 0.81  11.239% *  0.0873% (0.87   1.0   0.02   0.02) =   0.012%
          HN    ALA   61 - HB3   TRP   87  16.96 +/- 1.77   1.213% *  0.0929% (0.92   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   TRP   87  18.03 +/- 4.28   1.415% *  0.0529% (0.53   1.0   0.02   5.59) =   0.001%
          HN    GLN   17 - HB3   TRP   87  22.85 +/- 4.42   1.069% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.62 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.912, support = 2.29, residual support = 18.5:
          QD1   ILE   89 - HB2   TRP   87   3.62 +/- 0.62  75.194% * 61.5529% (0.90   2.45  18.93) =  85.064%  kept
          QG2   VAL   83 - HB2   TRP   87   5.92 +/- 0.47  21.326% * 38.0407% (1.00   1.36  16.35) =  14.910%  kept
          QD2   LEU   31 - HB2   TRP   87  13.35 +/- 4.01   3.480% *  0.4064% (0.73   0.02   1.72) =   0.026%
    Distance limit 3.87 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 3.96, residual support = 18.9:
        T QD1   ILE   89 - HB3   TRP   87   2.52 +/- 0.62  81.130% * 95.6576% (0.45 10.00   3.97  18.93) =  99.222%  kept
          QG2   VAL   83 - HB3   TRP   87   5.10 +/- 0.50  14.283% *  4.2457% (0.22  1.00   1.79  16.35) =   0.775%  kept
          QG2   VAL   75 - HB3   TRP   87   9.48 +/- 2.92   2.708% *  0.0593% (0.28  1.00   0.02   0.02) =   0.002%
          QG2   VAL   42 - HB3   TRP   87  10.92 +/- 1.49   1.879% *  0.0374% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.234, support = 0.735, residual support = 18.5:
          HG12  ILE   89 - HB3   TRP   87   3.30 +/- 1.02  80.864% * 54.8868% (0.22   0.75  18.93) =  97.943%  kept
          QB    ALA   91 - HB3   TRP   87   8.62 +/- 0.69   7.291% *  5.7027% (0.87   0.02   0.02) =   0.917%  kept
          HG2   LYS+  74 - HB3   TRP   87  14.46 +/- 2.78   3.313% *  5.8960% (0.90   0.02   0.02) =   0.431%  kept
          QG2   THR   39 - HB3   TRP   87  16.81 +/- 2.13   1.076% *  5.7027% (0.87   0.02   0.02) =   0.135%  kept
          QG2   ILE   56 - HB3   TRP   87  14.23 +/- 2.49   2.206% *  2.7027% (0.41   0.02   0.02) =   0.132%  kept
          HG3   LYS+  99 - HB3   TRP   87  17.43 +/- 2.02   0.911% *  6.0688% (0.92   0.02   0.02) =   0.122%  kept
          HG    LEU   71 - HB3   TRP   87  19.97 +/- 3.78   0.930% *  5.7027% (0.87   0.02   0.02) =   0.117%  kept
          HG13  ILE   19 - HB3   TRP   87  19.99 +/- 3.11   0.641% *  6.5596% (1.00   0.02   0.02) =   0.093%
          QB    ALA   34 - HB3   TRP   87  15.39 +/- 2.64   1.505% *  1.6393% (0.25   0.02   0.02) =   0.054%
          HG3   LYS+  38 - HB3   TRP   87  23.92 +/- 2.78   0.365% *  3.9875% (0.61   0.02   0.02) =   0.032%
          HG3   LYS+ 111 - HB3   TRP   87  16.86 +/- 3.32   0.899% *  1.1513% (0.18   0.02   0.02) =   0.023%
    Distance limit 3.96 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.1:
      O   HN    ALA   88 - HA    ALA   88   2.26 +/- 0.14  99.389% * 99.0353% (0.38  10.0   1.63  12.06) =  99.999%  kept
          HN    LEU   31 - HA    ALA   88  21.91 +/- 4.28   0.146% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  21.07 +/- 2.68   0.146% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  21.33 +/- 2.18   0.149% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  20.45 +/- 3.00   0.170% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 2.07, residual support = 12.1:
      O   HN    ALA   88 - QB    ALA   88   2.89 +/- 0.18  97.655% * 99.2112% (0.38  10.0   2.07  12.06) =  99.995%  kept
          HN    PHE   55 - QB    ALA   88  17.52 +/- 2.37   0.594% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    ALA   88  18.64 +/- 3.36   0.511% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - QB    ALA   88  17.79 +/- 2.33   0.544% *  0.2117% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - QB    ALA   88  17.16 +/- 2.70   0.695% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 216.4:
          QD1   ILE   89 - HA    ILE   89   3.28 +/- 0.60  88.226% * 99.6619% (0.92   5.98 216.49) =  99.969%  kept
          QG2   VAL   83 - HA    ILE   89   7.17 +/- 0.75  10.416% *  0.2481% (0.69   0.02   0.02) =   0.029%
          QD2   LEU   31 - HA    ILE   89  15.71 +/- 2.94   1.358% *  0.0901% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.20 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.35, residual support = 40.1:
      O   HN    GLN   90 - HA    ILE   89   2.46 +/- 0.26  92.173% * 99.8365% (0.99  10.0   6.35  40.06) =  99.997%  kept
          HN    GLY  109 - HA    ILE   89   8.79 +/- 3.56   6.385% *  0.0280% (0.28   1.0   0.02   0.02) =   0.002%
          HN    SER   82 - HA    ILE   89  11.44 +/- 0.89   1.003% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  15.25 +/- 1.87   0.439% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.0, residual support = 216.5:
      O   HN    ILE   89 - HA    ILE   89   2.67 +/- 0.18  98.963% * 99.6601% (0.76  10.0   6.00 216.49) =  99.999%  kept
          HN    ILE  119 - HA    ILE   89  17.49 +/- 2.36   0.423% *  0.1234% (0.95   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    ILE   89  19.21 +/- 3.07   0.346% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  25.64 +/- 2.00   0.116% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  23.59 +/- 2.15   0.152% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.914, support = 2.4, residual support = 8.33:
          HN    ALA   91 - HA    ILE   89   3.77 +/- 0.37  69.660% * 78.2107% (0.95   2.49   7.66) =  94.030%  kept
          HD1   TRP   87 - HA    ILE   89   6.16 +/- 0.73  20.199% * 14.8173% (0.38   1.19  18.93) =   5.165%  kept
          HE3   TRP   87 - HA    ILE   89   8.09 +/- 0.73   8.361% *  5.4596% (0.61   0.27  18.93) =   0.788%  kept
          HN    ALA   61 - HA    ILE   89  16.93 +/- 1.71   0.869% *  0.5967% (0.90   0.02   0.02) =   0.009%
          HN    TRP   27 - HA    ILE   89  20.23 +/- 3.32   0.571% *  0.6421% (0.97   0.02   0.02) =   0.006%
          HN    THR   39 - HA    ILE   89  23.57 +/- 1.91   0.339% *  0.2735% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.729, support = 5.23, residual support = 212.5:
      O T QD1   ILE   89 - HB    ILE   89   2.66 +/- 0.45  58.969% * 90.7898% (0.74  10.0 10.00   5.31 216.49) =  98.163%  kept
        T QD1   ILE   89 - HB    VAL   43   5.08 +/- 1.20  14.311% *  5.1509% (0.16   1.0 10.00   0.52   0.02) =   1.352%  kept
          QG2   VAL   83 - HB    ILE   89   5.52 +/- 1.38   9.538% *  1.6885% (0.55   1.0  1.00   0.50   0.02) =   0.295%  kept
        T QD2   LEU   31 - HB    VAL   43   9.07 +/- 2.80   2.832% *  2.0084% (0.04   1.0 10.00   0.75   0.02) =   0.104%  kept
          QG2   VAL   83 - HB    VAL   43   6.05 +/- 1.66  13.863% *  0.3379% (0.12   1.0  1.00   0.46   0.02) =   0.086%
          QD2   LEU   31 - HB    ILE   89  14.43 +/- 3.40   0.488% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 216.5:
      O T HG13  ILE   89 - HB    ILE   89   2.55 +/- 0.34  94.576% * 99.7821% (0.78  10.0 10.00   4.97 216.49) =  99.987%  kept
        T HG13  ILE   89 - HB    VAL   43   7.76 +/- 1.32   5.424% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.013%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.57, residual support = 216.5:
      O   HN    ILE   89 - HB    ILE   89   2.77 +/- 0.60  89.840% * 99.5645% (0.61  10.0   5.57 216.49) =  99.996%  kept
          HN    ILE   89 - HB    VAL   43   9.25 +/- 1.66   4.239% *  0.0217% (0.13   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB    ILE   89  17.97 +/- 1.97   0.508% *  0.1232% (0.76   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    VAL   43  12.16 +/- 3.93   2.279% *  0.0255% (0.16   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    ILE   89  17.58 +/- 3.63   0.478% *  0.1168% (0.72   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB    VAL   43  15.46 +/- 2.53   0.822% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  24.52 +/- 1.97   0.180% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  17.27 +/- 1.05   0.552% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  22.25 +/- 2.69   0.238% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  15.51 +/- 2.06   0.863% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   8.30 +/- 1.42 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.58 A violated in 19 structures by 4.72 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 1.09, residual support = 18.9:
          HD1   TRP   87 - QG2   ILE   89   4.39 +/- 0.19  91.288% * 94.5070% (0.95   1.10  18.93) =  99.875%  kept
          HN    LYS+ 102 - QG2   ILE   89  14.82 +/- 1.72   3.510% *  1.4608% (0.80   0.02   0.02) =   0.059%
          HN    THR   39 - QG2   ILE   89  18.57 +/- 0.97   1.280% *  1.6841% (0.92   0.02   0.02) =   0.025%
          HN    TRP   27 - QG2   ILE   89  15.14 +/- 2.96   2.979% *  0.6223% (0.34   0.02   0.02) =   0.021%
          HN    GLU-  36 - QG2   ILE   89  20.57 +/- 1.49   0.943% *  1.7258% (0.95   0.02   0.02) =   0.019%
    Distance limit 3.63 A violated in 0 structures by 0.76 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 7.21, residual support = 40.0:
          HN    GLN   90 - QG2   ILE   89   2.84 +/- 0.72  91.238% * 99.1845% (0.61   7.21  40.06) =  99.970%  kept
          HN    SER   82 - QG2   ILE   89   8.33 +/- 1.15   5.258% *  0.4189% (0.92   0.02   0.02) =   0.024%
          HN    ILE  103 - QG2   ILE   89  12.54 +/- 1.69   1.682% *  0.1865% (0.41   0.02   0.02) =   0.003%
          HN    SER  117 - QG2   ILE   89  14.16 +/- 1.56   1.354% *  0.0700% (0.15   0.02   0.02) =   0.001%
          HN    GLY   16 - QG2   ILE   89  20.03 +/- 3.37   0.467% *  0.1401% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 14.5:
        T HB2   PHE   45 - QG2   ILE   89   3.69 +/- 1.25  84.421% * 99.5807% (0.97 10.00   0.75  14.47) =  99.956%  kept
          QE    LYS+ 111 - QG2   ILE   89  10.98 +/- 2.98  11.455% *  0.2745% (1.00  1.00   0.02   0.02) =   0.037%
          HB2   CYS   21 - QG2   ILE   89  13.65 +/- 3.14   4.123% *  0.1448% (0.53  1.00   0.02   0.02) =   0.007%
    Distance limit 4.03 A violated in 3 structures by 0.34 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.187, support = 5.35, residual support = 36.9:
          QG    GLN   90 - QG2   ILE   89   4.15 +/- 0.23  53.904% * 67.3723% (0.15   5.77  40.06) =  92.190%  kept
          HG2   MET   92 - QG2   ILE   89   7.07 +/- 1.18  14.745% * 13.0055% (0.73   0.24   0.02) =   4.868%  kept
          HB2   ASP-  44 - QG2   ILE   89   8.43 +/- 0.77   7.085% * 13.8439% (0.28   0.66   0.02) =   2.490%  kept
          HB2   GLU-  79 - QG2   ILE   89   8.81 +/- 2.04   9.815% *  0.8565% (0.57   0.02   0.02) =   0.213%  kept
          QG    GLU- 114 - QG2   ILE   89  10.06 +/- 1.92   5.938% *  0.9786% (0.65   0.02   0.02) =   0.148%  kept
          HG2   PRO   52 - QG2   ILE   89  11.20 +/- 2.56   4.334% *  0.3368% (0.22   0.02   0.02) =   0.037%
          HB3   PHE   72 - QG2   ILE   89  12.96 +/- 1.31   1.989% *  0.2994% (0.20   0.02   0.02) =   0.015%
          QB    MET   11 - QG2   ILE   89  24.78 +/- 3.29   0.357% *  1.2636% (0.84   0.02   0.02) =   0.011%
          HG3   GLU-  36 - QG2   ILE   89  22.29 +/- 1.69   0.378% *  1.0985% (0.73   0.02   0.02) =   0.011%
          QG    GLU-  15 - QG2   ILE   89  19.55 +/- 2.99   0.700% *  0.5678% (0.38   0.02   0.02) =   0.010%
          QG    GLU-  14 - QG2   ILE   89  19.08 +/- 2.70   0.755% *  0.3772% (0.25   0.02   0.02) =   0.007%
    Distance limit 3.67 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.494, support = 1.13, residual support = 14.2:
        T HB3   PHE   45 - QG2   ILE   89   3.96 +/- 0.98  52.924% * 94.2541% (0.49 10.00   1.15  14.47) =  98.489%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.04 +/- 1.10  15.242% *  4.7722% (1.00  1.00   0.28   0.02) =   1.436%  kept
          HG3   MET   96 - QG2   ILE   89   7.20 +/- 1.31  14.217% *  0.1151% (0.34  1.00   0.02   5.08) =   0.032%
          QE    LYS+ 112 - QG2   ILE   89  11.39 +/- 2.54   4.796% *  0.1642% (0.49  1.00   0.02   0.02) =   0.016%
          HB3   ASP-  62 - QG2   ILE   89  13.06 +/- 2.44   2.505% *  0.2578% (0.76  1.00   0.02   0.02) =   0.013%
          HB    VAL  107 - QG2   ILE   89   8.45 +/- 1.39   9.346% *  0.0520% (0.15  1.00   0.02   0.02) =   0.010%
          HG2   GLU-  29 - QG2   ILE   89  19.31 +/- 2.88   0.664% *  0.3255% (0.97  1.00   0.02   0.02) =   0.004%
          HG2   GLU-  36 - QG2   ILE   89  22.72 +/- 1.81   0.305% *  0.0591% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.423, support = 3.14, residual support = 10.4:
          QB    ALA   84 - QG2   ILE   89   3.32 +/- 1.48  48.124% * 25.0890% (0.49   1.91  13.35) =  50.280%  kept
          QB    ALA   88 - QG2   ILE   89   5.09 +/- 0.34  21.839% * 43.9146% (0.31   5.26   9.34) =  39.938%  kept
          HB3   PRO   93 - QG2   ILE   89   6.98 +/- 1.22  13.278% * 11.9661% (0.45   0.99   0.02) =   6.617%  kept
          HB3   ASP-  44 - QG2   ILE   89   8.12 +/- 0.90   4.547% * 15.4408% (0.87   0.66   0.02) =   2.924%  kept
          HB3   LEU   80 - QG2   ILE   89   7.79 +/- 1.44   4.087% *  0.5360% (0.99   0.02   0.02) =   0.091%
          HG2   LYS+ 111 - QG2   ILE   89  11.96 +/- 3.02   2.123% *  0.5219% (0.97   0.02   0.02) =   0.046%
          HG    LEU   98 - QG2   ILE   89  10.52 +/- 1.82   2.483% *  0.3280% (0.61   0.02   0.02) =   0.034%
          HB2   LEU   63 - QG2   ILE   89  12.35 +/- 1.36   1.456% *  0.5116% (0.95   0.02   0.02) =   0.031%
          HB2   LEU   31 - QG2   ILE   89  16.05 +/- 3.27   0.749% *  0.5360% (0.99   0.02   0.02) =   0.017%
          HG2   LYS+  99 - QG2   ILE   89  16.29 +/- 2.03   0.640% *  0.4133% (0.76   0.02   0.02) =   0.011%
          QB    ALA  124 - QG2   ILE   89  19.07 +/- 1.57   0.422% *  0.3927% (0.73   0.02   0.02) =   0.007%
          HG2   LYS+  38 - QG2   ILE   89  21.00 +/- 1.19   0.251% *  0.3499% (0.65   0.02   0.02) =   0.004%
    Distance limit 3.44 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.86, residual support = 216.5:
      O T HG13  ILE   89 - QG2   ILE   89   2.62 +/- 0.33 100.000% *100.0000% (0.98  10.0 10.00   5.86 216.49) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.918, support = 6.35, residual support = 211.6:
        T QD1   ILE   89 - QG2   ILE   89   1.99 +/- 0.40  84.999% * 88.0229% (0.92 10.00   6.48 216.49) =  97.760%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.64 +/- 0.82  14.339% * 11.9533% (0.69 10.00   0.36   0.02) =   2.239%  kept
          QD2   LEU   31 - QG2   ILE   89  11.92 +/- 2.49   0.662% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 5.57, residual support = 216.5:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.01  92.183% * 99.4549% (0.92  10.0 10.00   5.57 216.49) =  99.993%  kept
          QG2   VAL   83 - HG12  ILE   89   5.95 +/- 1.08   5.848% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.005%
        T QD1   ILE   89 - HG3   LYS+  99  14.56 +/- 1.83   0.389% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - HG12  ILE   89  14.46 +/- 3.06   0.432% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  15.13 +/- 2.29   0.353% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  12.63 +/- 2.69   0.796% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.15, residual support = 216.5:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00  99.850% * 99.5961% (0.98  10.0 10.00   5.15 216.49) =  99.999%  kept
        T HG13  ILE   89 - HG3   LYS+  99  18.89 +/- 2.75   0.150% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.89 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 = 0.897, support = 5.25, residual support = 215.2:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.01  89.930% * 94.6221% (0.90  10.0 10.00   5.27 216.49) =  99.401%  kept
          QG2   VAL   83 - HG13  ILE   89   5.62 +/- 1.52   9.665% *  5.3013% (1.00   1.0  1.00   1.00   0.02) =   0.599%  kept
          QD2   LEU   31 - HG13  ILE   89  14.23 +/- 2.69   0.404% *  0.0766% (0.73   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 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.85, residual support = 216.5:
      O T QG2   ILE   89 - HG13  ILE   89   2.62 +/- 0.33  92.099% * 99.9734% (0.84  10.0 10.00   5.86 216.49) =  99.998%  kept
          QG1   VAL   83 - HG13  ILE   89   7.31 +/- 1.46   7.901% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.57 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 = 216.4:
      O T HB    ILE   89 - HG13  ILE   89   2.55 +/- 0.34  92.044% * 98.8208% (0.49  10.0 10.00   4.97 216.49) =  99.941%  kept
        T HB    VAL   43 - HG13  ILE   89   7.76 +/- 1.32   5.279% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.057%
          QD    LYS+  81 - HG13  ILE   89  10.15 +/- 1.87   1.796% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HG13  ILE   89  16.90 +/- 2.29   0.434% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  17.18 +/- 2.62   0.447% *  0.0313% (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 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 216.5:
          HN    ILE   89 - HG13  ILE   89   3.53 +/- 0.57  96.570% * 98.7800% (0.76   5.52 216.49) =  99.987%  kept
          HN    ILE  119 - HG13  ILE   89  17.11 +/- 2.38   1.306% *  0.4427% (0.95   0.02   0.02) =   0.006%
          HN    CYS   21 - HG13  ILE   89  17.29 +/- 3.27   1.228% *  0.4197% (0.90   0.02   0.02) =   0.005%
          HN    SER   37 - HG13  ILE   89  24.14 +/- 1.94   0.378% *  0.2650% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG13  ILE   89  22.00 +/- 2.07   0.517% *  0.0926% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.76, residual support = 216.5:
          HN    ILE   89 - HG12  ILE   89   2.40 +/- 0.52  92.640% * 98.2258% (0.76   5.76 216.49) =  99.988%  kept
          HN    SER   37 - HG3   LYS+  99  14.48 +/- 6.60   3.603% *  0.1025% (0.23   0.02   0.02) =   0.004%
          HN    ILE  119 - HG12  ILE   89  17.52 +/- 2.68   0.534% *  0.4223% (0.95   0.02   0.02) =   0.002%
          HN    CYS   21 - HG12  ILE   89  18.06 +/- 3.20   0.402% *  0.4004% (0.90   0.02   0.02) =   0.002%
          HN    CYS   21 - HG3   LYS+  99  19.32 +/- 3.88   0.577% *  0.1624% (0.36   0.02   0.02) =   0.001%
          HN    ILE  119 - HG3   LYS+  99  19.17 +/- 4.16   0.365% *  0.1713% (0.38   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  99  19.56 +/- 2.81   0.370% *  0.1384% (0.31   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG3   LYS+  99  16.07 +/- 4.36   1.199% *  0.0358% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  24.19 +/- 2.09   0.132% *  0.2528% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  22.14 +/- 2.41   0.177% *  0.0884% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 216.5:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.27 216.49) = 100.000%  kept
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.834, support = 6.47, residual support = 215.9:
        T QG2   ILE   89 - QD1   ILE   89   1.99 +/- 0.40  94.588% * 95.5173% (0.84 10.00   6.48 216.49) =  99.732%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.68 +/- 0.97   5.412% *  4.4827% (0.22 10.00   0.35   0.02) =   0.268%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.57, residual support = 216.5:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.01  95.761% * 99.2664% (1.00  10.0 10.00   5.57 216.49) =  99.996%  kept
        T HG3   LYS+  99 - QD1   ILE   89  14.56 +/- 1.83   0.405% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - QD1   ILE   89  12.69 +/- 2.45   0.975% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QD1   ILE   89  10.58 +/- 2.08   1.011% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD1   ILE   89  13.45 +/- 3.18   0.823% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  15.84 +/- 2.51   0.326% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  15.19 +/- 2.43   0.393% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  15.57 +/- 2.53   0.307% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.03, residual support = 203.5:
      O T HB    ILE   89 - QD1   ILE   89   2.66 +/- 0.45  76.579% * 79.2565% (0.49  10.0 10.00   5.31 216.49) =  94.013%  kept
        T HB    VAL   43 - QD1   ILE   89   5.08 +/- 1.20  18.759% * 20.5904% (0.49   1.0 10.00   0.52   0.02) =   5.983%  kept
          QD    LYS+  81 - QD1   ILE   89   9.16 +/- 1.28   2.920% *  0.0669% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - QD1   ILE   89  12.87 +/- 1.57   0.838% *  0.0611% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD1   ILE   89  13.10 +/- 1.77   0.904% *  0.0251% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 1.5, residual support = 5.07:
        T HB3   MET   96 - QD1   ILE   89   4.28 +/- 1.62  80.134% * 99.2551% (0.53 10.00   1.50   5.08) =  99.961%  kept
          HB3   ARG+  54 - QD1   ILE   89  14.97 +/- 2.23   4.575% *  0.2182% (0.87  1.00   0.02   0.02) =   0.013%
          HB2   LEU   40 - QD1   ILE   89  14.29 +/- 1.47   3.874% *  0.2256% (0.90  1.00   0.02   0.02) =   0.011%
          HB    VAL   18 - QD1   ILE   89  14.98 +/- 4.05   4.912% *  0.1526% (0.61  1.00   0.02   0.02) =   0.009%
          HB2   LEU   67 - QD1   ILE   89  14.15 +/- 1.93   4.255% *  0.0858% (0.34  1.00   0.02   0.02) =   0.005%
          HB3   GLU-  14 - QD1   ILE   89  20.73 +/- 3.47   2.250% *  0.0627% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 3.60 A violated in 5 structures by 1.00 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.761, support = 3.96, residual support = 18.9:
        T HB3   TRP   87 - QD1   ILE   89   2.52 +/- 0.62  74.878% * 98.3621% (0.76 10.00   3.97  18.93) =  99.505%  kept
          HG3   MET   96 - QD1   ILE   89   5.34 +/- 1.53  24.471% *  1.4946% (0.14  1.00   1.72   5.08) =   0.494%  kept
          HG3   GLN  116 - QD1   ILE   89  15.56 +/- 1.69   0.475% *  0.1075% (0.84  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - QD1   ILE   89  21.15 +/- 1.85   0.177% *  0.0358% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  11.06 +/- 1.27  52.551% * 62.4025% (0.57   0.02   0.02) =  64.767%  kept
          HB    THR  118 - QD1   ILE   89  11.70 +/- 2.21  47.449% * 37.5975% (0.34   0.02   0.02) =  35.233%  kept
    Distance limit 2.97 A violated in 20 structures by 6.86 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.12, residual support = 14.5:
          QD    PHE   45 - QD1   ILE   89   2.54 +/- 0.90  95.677% * 96.8059% (0.45   3.13  14.47) =  99.950%  kept
          HD2   HIS  122 - QD1   ILE   89  13.88 +/- 2.59   1.903% *  1.3690% (0.99   0.02   0.02) =   0.028%
          HE22  GLN  116 - QD1   ILE   89  17.11 +/- 1.81   1.025% *  1.3539% (0.98   0.02   0.02) =   0.015%
          HE22  GLN   17 - QD1   ILE   89  19.43 +/- 3.89   1.394% *  0.4712% (0.34   0.02   0.02) =   0.007%
    Distance limit 3.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.877, support = 2.41, residual support = 18.9:
          HN    TRP   87 - QD1   ILE   89   4.18 +/- 0.86  60.448% * 79.4826% (0.97   2.46  18.93) =  87.180%  kept
          HE3   TRP   87 - QD1   ILE   89   5.17 +/- 0.46  36.671% * 19.2157% (0.28   2.07  18.93) =  12.786%  kept
          HN    GLN   17 - QD1   ILE   89  17.99 +/- 3.39   1.467% *  0.6689% (1.00   0.02   0.02) =   0.018%
          HD21  ASN   69 - QD1   ILE   89  16.79 +/- 2.14   1.414% *  0.6328% (0.95   0.02   0.02) =   0.016%
    Distance limit 3.95 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 216.4:
          HN    ILE   89 - QD1   ILE   89   3.05 +/- 0.64  94.942% * 98.8560% (0.76   5.90 216.49) =  99.982%  kept
          HN    CYS   21 - QD1   ILE   89  13.40 +/- 2.69   2.059% *  0.3936% (0.90   0.02   0.02) =   0.009%
          HN    ILE  119 - QD1   ILE   89  13.57 +/- 1.78   1.658% *  0.4151% (0.95   0.02   0.02) =   0.007%
          HN    SER   37 - QD1   ILE   89  18.69 +/- 1.42   0.553% *  0.2484% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - QD1   ILE   89  16.93 +/- 1.77   0.789% *  0.0868% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.67, residual support = 89.2:
          HN    GLN   90 - QG    GLN   90   2.72 +/- 0.65  92.370% * 97.6812% (0.69   5.68  89.29) =  99.851%  kept
          HN    GLY  109 - QG    GLN   90   9.00 +/- 4.34   6.917% *  1.9035% (0.69   0.11   0.02) =   0.146%  kept
          HN    ILE  103 - QG    GLN   90  16.16 +/- 2.13   0.714% *  0.4153% (0.83   0.02   0.02) =   0.003%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 89.3:
      O   HN    GLN   90 - HB3   GLN   90   3.28 +/- 0.49  87.618% * 99.8365% (0.83  10.0   5.59  89.29) =  99.995%  kept
          HN    GLY  109 - HB3   GLN   90  10.58 +/- 4.11   7.762% *  0.0280% (0.23   1.0   0.02   0.02) =   0.002%
          HN    SER   82 - HB3   GLN   90  12.01 +/- 2.90   3.832% *  0.0452% (0.37   1.0   0.02   0.02) =   0.002%
          HN    ILE  103 - HB3   GLN   90  18.61 +/- 2.63   0.788% *  0.0903% (0.75   1.0   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.04 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   2.79 +/- 0.57  84.084% * 94.8686% (0.16  10.0   4.13  56.65) =  99.836%  kept
          HN    THR   94 - HB2   GLN   90  10.34 +/- 0.73   2.448% *  3.8398% (0.55   1.0   0.24   0.02) =   0.118%  kept
          HN    SER   85 - HB2   GLN   90   8.82 +/- 2.10   6.188% *  0.3603% (0.61   1.0   0.02   0.02) =   0.028%
          HN    SER   85 - HB3   GLU-  79  10.24 +/- 1.49   2.924% *  0.2608% (0.44   1.0   0.02   0.02) =   0.010%
          HN    THR   94 - HB3   GLU-  79  12.63 +/- 2.33   1.469% *  0.2344% (0.40   1.0   0.02   0.02) =   0.004%
          HN    GLU-  79 - HB2   GLN   90  14.02 +/- 3.83   1.831% *  0.1311% (0.22   1.0   0.02   0.02) =   0.003%
          HN    GLN   32 - HB3   GLU-  79  18.90 +/- 4.25   0.901% *  0.1281% (0.22   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  26.36 +/- 3.60   0.155% *  0.1770% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.39, residual support = 56.5:
      O T HA    GLU-  79 - HB3   GLU-  79   2.72 +/- 0.22  75.085% * 94.7498% (0.57  10.0 10.00   4.40  56.65) =  99.801%  kept
          HB    THR   77 - HB3   GLU-  79   7.85 +/- 0.92   4.221% *  2.5700% (0.46   1.0  1.00   0.66   0.02) =   0.152%  kept
        T HA    GLU-  79 - HB2   GLN   90  14.85 +/- 3.64   1.055% *  1.3092% (0.78   1.0 10.00   0.02   0.02) =   0.019%
          HB    THR   77 - HB2   GLN   90  12.09 +/- 5.95   6.745% *  0.1070% (0.64   1.0  1.00   0.02   0.02) =   0.010%
          HA    SER   85 - HB2   GLN   90   7.61 +/- 1.68   5.817% *  0.1070% (0.64   1.0  1.00   0.02   0.02) =   0.009%
          HA1   GLY   51 - HB3   GLU-  79  18.69 +/- 5.44   1.192% *  0.0838% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  12.62 +/- 1.63   1.120% *  0.0774% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  11.93 +/- 1.66   1.188% *  0.0702% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLN   90  13.89 +/- 1.48   0.666% *  0.0970% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLN   90  17.07 +/- 4.17   0.509% *  0.1159% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   GLU-  79  18.23 +/- 4.06   0.629% *  0.0867% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   GLN   90  18.84 +/- 2.46   0.324% *  0.1198% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   GLU-  79  17.59 +/- 4.52   0.678% *  0.0547% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   GLN   90  19.79 +/- 3.31   0.277% *  0.0756% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  21.47 +/- 2.18   0.174% *  0.0914% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  28.00 +/- 5.57   0.195% *  0.0664% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  26.96 +/- 2.16   0.087% *  0.1264% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.30 +/- 4.94   0.038% *  0.0917% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.619, support = 0.808, residual support = 0.782:
          QB    ALA   88 - QG    GLN   90   4.65 +/- 0.92  66.829% * 93.5391% (0.62   0.82   0.79) =  98.450%  kept
          QG2   THR   77 - QG    GLN   90   9.11 +/- 3.97  28.853% *  3.2544% (0.88   0.02   0.02) =   1.479%  kept
          QG2   THR   23 - QG    GLN   90  17.60 +/- 3.70   1.948% *  1.2461% (0.34   0.02   0.02) =   0.038%
          HG2   LYS+  99 - QG    GLN   90  20.85 +/- 3.14   1.945% *  0.8279% (0.22   0.02   0.02) =   0.025%
          HG2   LYS+  38 - QG    GLN   90  26.02 +/- 2.25   0.425% *  1.1325% (0.31   0.02   0.02) =   0.008%
    Distance limit 3.52 A violated in 3 structures by 0.83 A, kept.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.683, support = 0.02, residual support = 0.02:
          HB3   LYS+ 111 - QG    GLN   90  13.63 +/- 3.91  15.916% * 17.3580% (0.90   0.02   0.02) =  33.896%  kept
          HG    LEU  104 - QG    GLN   90  17.85 +/- 2.22   7.203% * 17.0143% (0.88   0.02   0.02) =  15.037%  kept
          QG    LYS+  81 - QG    GLN   90   8.45 +/- 2.96  35.343% *  3.4351% (0.18   0.02   0.02) =  14.896%  kept
          HD3   LYS+  74 - QG    GLN   90  16.77 +/- 3.25   4.865% * 17.3194% (0.89   0.02   0.02) =  10.338%  kept
          HB3   LYS+ 121 - QG    GLN   90  19.61 +/- 3.26   3.965% * 17.0143% (0.88   0.02   0.02) =   8.276%  kept
          QD    LYS+  66 - QG    GLN   90  19.45 +/- 4.00   5.317% *  9.8273% (0.51   0.02   0.02) =   6.410%  kept
          HG2   LYS+ 106 - QG    GLN   90  11.82 +/- 2.17  17.611% *  2.6782% (0.14   0.02   0.02) =   5.787%  kept
          HD2   LYS+ 121 - QG    GLN   90  19.56 +/- 3.29   4.379% *  3.8645% (0.20   0.02   0.02) =   2.076%  kept
          HG2   LYS+  33 - QG    GLN   90  23.34 +/- 1.92   1.911% *  8.4490% (0.44   0.02   0.02) =   1.981%  kept
          HG2   LYS+  65 - QG    GLN   90  19.82 +/- 3.86   3.491% *  3.0399% (0.16   0.02   0.02) =   1.302%  kept
    Distance limit 3.76 A violated in 17 structures by 3.35 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 = 60.4:
      O   HG3   MET   92 - HB2   MET   92   2.64 +/- 0.24  90.948% * 77.9280% (0.73  10.0  1.00   2.96  61.29) =  98.523%  kept
        T QG    GLN   90 - HB2   MET   92   7.85 +/- 1.20   5.260% * 20.1163% (0.80   1.0 10.00   0.47   0.11) =   1.471%  kept
        T HB2   ASP- 105 - HB2   MET   92  17.15 +/- 1.49   0.392% *  0.3661% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HB2   MET   92  26.35 +/- 2.95   0.104% *  0.6942% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   MET   92  12.77 +/- 1.52   1.043% *  0.0651% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB2   MET   92  15.67 +/- 2.14   0.543% *  0.1071% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HB2   MET   92  26.75 +/- 3.68   0.111% *  0.5224% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   MET   92  19.14 +/- 2.22   0.323% *  0.0779% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  14.26 +/- 3.43   1.056% *  0.0188% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  26.58 +/- 2.33   0.101% *  0.0896% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.25 +/- 2.81   0.118% *  0.0145% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.74 +/- 0.62  84.798% * 99.7272% (0.92  10.0   3.65  61.29) =  99.989%  kept
          HN    THR   46 - HB2   MET   92   8.90 +/- 2.29   5.989% *  0.1078% (1.00   1.0   0.02   0.02) =   0.008%
          HN    LYS+ 112 - HB2   MET   92  10.53 +/- 3.04   8.680% *  0.0300% (0.28   1.0   0.02   0.02) =   0.003%
          HN    LYS+  74 - HB2   MET   92  17.82 +/- 2.60   0.481% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  37.69 +/- 5.16   0.051% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 61.3:
      O T HA    MET   92 - HB2   MET   92   2.82 +/- 0.24  99.345% * 99.8006% (0.61  10.0 10.00   3.87  61.29) =  99.999%  kept
          HA    HIS  122 - HB2   MET   92  22.60 +/- 2.30   0.228% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  19.85 +/- 2.46   0.427% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.28, residual support = 61.2:
      O   HG3   MET   92 - HB3   MET   92   2.71 +/- 0.29  89.202% * 96.8502% (0.73  10.0   3.29  61.29) =  99.832%  kept
          QG    GLN   90 - HB3   MET   92   8.57 +/- 1.24   5.698% *  2.4895% (0.80   1.0   0.47   0.11) =   0.164%  kept
          HB2   ASP-  44 - HB3   MET   92  11.66 +/- 1.53   1.581% *  0.0809% (0.61   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   MET   92  14.55 +/- 2.36   0.713% *  0.1331% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   MET   92  18.01 +/- 2.25   0.532% *  0.0969% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   MET   92  13.79 +/- 3.36   1.120% *  0.0234% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  16.36 +/- 1.54   0.536% *  0.0455% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  25.80 +/- 2.54   0.133% *  0.1114% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  25.39 +/- 2.89   0.153% *  0.0863% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  25.73 +/- 3.55   0.161% *  0.0649% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.52 +/- 2.74   0.171% *  0.0181% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 61.3:
      O T HA    MET   92 - HB3   MET   92   2.82 +/- 0.18  98.959% * 99.8006% (0.61  10.0 10.00   4.22  61.29) =  99.999%  kept
          HA    VAL   41 - HB3   MET   92  18.90 +/- 2.52   0.795% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB3   MET   92  21.54 +/- 2.45   0.245% *  0.1318% (0.80   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 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 +/- 0.52  98.243% * 99.8006% (0.61  10.0 10.00   2.49  61.29) =  99.999%  kept
          HA    VAL   41 - HG2   MET   92  19.73 +/- 3.18   1.486% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HG2   MET   92  23.06 +/- 2.33   0.270% *  0.1318% (0.80   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 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.381, support = 0.592, residual support = 2.91:
          HB2   SER   37 - QG2   THR   39   3.20 +/- 0.89  67.384% * 44.4239% (0.30   0.69   4.04) =  71.101%  kept
          HA1   GLY   16 - QG2   THR   39   9.71 +/- 5.89  25.418% * 47.4812% (0.60   0.36   0.12) =  28.665%  kept
          HA    LYS+  66 - QG2   THR   39  12.74 +/- 2.38   2.037% *  1.9975% (0.46   0.02   0.02) =   0.097%
          HA1   GLY   16 - QG2   THR   23  15.99 +/- 2.76   1.544% *  1.4634% (0.33   0.02   0.02) =   0.054%
          HA    LYS+  66 - QG2   THR   23  16.91 +/- 3.82   1.331% *  1.1209% (0.26   0.02   0.02) =   0.035%
          HA    LYS+  66 - QB    ALA   91  18.80 +/- 3.54   1.151% *  0.9433% (0.22   0.02   0.02) =   0.026%
          HB2   SER   37 - QG2   THR   23  17.04 +/- 1.79   0.608% *  0.7267% (0.17   0.02   0.02) =   0.010%
          HA1   GLY   16 - QB    ALA   91  23.54 +/- 3.71   0.304% *  1.2315% (0.28   0.02   0.02) =   0.009%
          HB2   SER   37 - QB    ALA   91  23.60 +/- 1.90   0.223% *  0.6116% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.99, residual support = 61.1:
      O   HN    MET   92 - HB3   MET   92   3.61 +/- 0.30  80.827% * 97.5163% (0.92  10.0   4.00  61.29) =  99.639%  kept
          HN    THR   46 - HB3   MET   92   8.07 +/- 2.19  11.725% *  2.4213% (0.76   1.0   0.60   0.02) =   0.359%  kept
          HN    ASP- 113 - HB3   MET   92  11.71 +/- 3.05   6.512% *  0.0263% (0.25   1.0   0.02   0.02) =   0.002%
          HN    LYS+  74 - HB3   MET   92  16.88 +/- 2.66   0.936% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.697, support = 0.02, residual support = 0.0267:
          HA    THR   46 - HB3   MET   92   6.80 +/- 2.60  42.202% * 16.4223% (0.80   0.02   0.02) =  63.967%  kept
          HA    VAL   42 - HB3   MET   92  15.84 +/- 1.98   6.971% * 18.3930% (0.90   0.02   0.02) =  11.835%  kept
          HA    PHE   55 - HB3   MET   92  12.93 +/- 3.91  15.248% *  6.3300% (0.31   0.02   0.02) =   8.908%  kept
          HA    GLN   90 - HB3   MET   92   8.74 +/- 0.53  22.222% *  3.5917% (0.18   0.02   0.11) =   7.367%  kept
          HA    PRO   58 - HB3   MET   92  15.60 +/- 3.18   6.182% *  5.1139% (0.25   0.02   0.02) =   2.918%  kept
          HA    GLN   17 - HB3   MET   92  23.65 +/- 4.59   1.283% * 17.7900% (0.87   0.02   0.02) =   2.107%  kept
          HA    LEU   40 - HB3   MET   92  21.72 +/- 3.04   3.978% *  3.1644% (0.15   0.02   0.02) =   1.162%  kept
          HA    SER   37 - HB3   MET   92  29.51 +/- 2.81   0.653% * 17.7900% (0.87   0.02   0.02) =   1.072%  kept
          HA    GLU-  15 - HB3   MET   92  27.37 +/- 3.50   0.785% *  5.7022% (0.28   0.02   0.02) =   0.413%  kept
          HA    SER   13 - HB3   MET   92  31.11 +/- 3.72   0.477% *  5.7022% (0.28   0.02   0.02) =   0.251%  kept
    Distance limit 4.25 A violated in 11 structures by 1.61 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   3.09 +/- 0.70  98.648% * 99.9198% (0.99  10.0 10.00   3.97  61.29) =  99.999%  kept
          HA    LYS+  74 - HG3   MET   92  16.75 +/- 3.63   0.968% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  23.17 +/- 2.31   0.384% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 3.74, residual support = 61.2:
          HN    MET   92 - HG3   MET   92   3.68 +/- 0.63  77.878% * 99.2221% (0.92   3.74  61.29) =  99.922%  kept
          HN    THR   46 - HG3   MET   92   9.27 +/- 2.25   9.398% *  0.4388% (0.76   0.02   0.02) =   0.053%
          HN    ASP- 113 - HG3   MET   92  12.87 +/- 3.61  11.816% *  0.1432% (0.25   0.02   0.02) =   0.022%
          HN    LYS+  74 - HG3   MET   92  18.07 +/- 3.00   0.908% *  0.1959% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.385, support = 0.02, residual support = 0.0975:
          QD    PHE   45 - HB2   PRO   93   6.73 +/- 1.37  59.526% * 67.4545% (0.41   0.02   0.11) =  90.674%  kept
          HN    LYS+  65 - HB2   PRO   93  13.60 +/- 2.27  13.047% * 25.3164% (0.15   0.02   0.02) =   7.459%  kept
          QD    PHE   45 - HG3   GLN   30  14.14 +/- 2.51   8.698% *  5.2564% (0.03   0.02   0.02) =   1.032%  kept
          HN    LYS+  65 - HG3   GLN   30  13.27 +/- 3.15  18.729% *  1.9728% (0.01   0.02   0.02) =   0.834%  kept
    Distance limit 4.35 A violated in 17 structures by 2.16 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.37, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.67 +/- 0.37  90.190% * 99.8806% (1.00  10.0   4.37  15.58) =  99.996%  kept
          HN    GLU-  79 - HB2   PRO   93  13.63 +/- 2.76   3.994% *  0.0727% (0.73   1.0   0.02   0.02) =   0.003%
          HN    SER   85 - HB2   PRO   93  14.35 +/- 1.50   1.591% *  0.0309% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG3   GLN   30  16.32 +/- 3.52   2.714% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  17.99 +/- 2.15   0.835% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  20.63 +/- 4.17   0.675% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.389, support = 0.02, residual support = 0.0981:
          QD    PHE   45 - HG2   PRO   93   8.05 +/- 1.26  79.928% * 72.7108% (0.41   0.02   0.11) =  91.387%  kept
          HN    LYS+  65 - HG2   PRO   93  15.30 +/- 2.43  20.072% * 27.2892% (0.15   0.02   0.02) =   8.613%  kept
    Distance limit 4.19 A violated in 18 structures by 3.76 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   2.56 +/- 0.26  90.813% * 98.6893% (0.84  10.0  1.00   5.30 132.33) =  99.987%  kept
          HB2   ARG+  54 - HG3   PRO   93  11.20 +/- 3.95   5.661% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.007%
          HB    VAL  108 - HG3   PRO   93  11.13 +/- 2.20   1.509% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HG3   PRO   93  22.04 +/- 2.83   0.198% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HG3   PRO   93  13.79 +/- 3.06   0.820% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   PRO   93  21.56 +/- 2.53   0.221% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.28 +/- 2.95   0.174% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  22.41 +/- 4.20   0.554% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  35.48 +/- 4.62   0.050% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.3:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  95.022% * 96.9677% (0.99  10.0 10.00   3.97 132.33) =  99.993%  kept
        T QB    LYS+  65 - HG3   PRO   93  14.31 +/- 2.46   0.259% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HG3   PRO   93  18.21 +/- 2.96   0.197% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HG3   PRO   93   8.65 +/- 3.90   3.893% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   PRO   93  20.67 +/- 1.95   0.071% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HG3   PRO   93  18.26 +/- 2.49   0.096% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  15.71 +/- 2.59   0.194% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  21.11 +/- 3.44   0.108% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.16 +/- 1.94   0.107% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  23.47 +/- 3.91   0.053% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.93, residual support = 128.8:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  84.158% * 74.0536% (0.95  10.0 10.00   3.97 132.33) =  97.344%  kept
          HB3   MET   92 - HG2   PRO   93   4.34 +/- 0.39   6.078% * 15.9289% (0.92   1.0  1.00   4.41   1.86) =   1.512%  kept
        T HD2   LYS+ 111 - HG2   PRO   93   9.66 +/- 3.74   8.474% *  8.6273% (0.98   1.0 10.00   0.22   0.02) =   1.142%  kept
        T QD    LYS+  65 - HG2   PRO   93  15.04 +/- 3.22   0.312% *  0.1743% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   PRO   93  20.87 +/- 1.80   0.056% *  0.6269% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG2   PRO   93  11.78 +/- 1.18   0.311% *  0.0475% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  24.90 +/- 3.53   0.040% *  0.3218% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  17.32 +/- 2.64   0.117% *  0.0627% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  18.79 +/- 2.68   0.081% *  0.0755% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.26 +/- 2.44   0.101% *  0.0443% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  15.49 +/- 1.78   0.144% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.19 +/- 2.64   0.128% *  0.0155% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.3:
      O   HD3   PRO   93 - HG3   PRO   93   2.54 +/- 0.29  72.265% * 99.5358% (0.97  10.0   3.97 132.33) =  99.964%  kept
          HB3   CYS   53 - HG3   PRO   93   8.71 +/- 4.19  13.596% *  0.0861% (0.84   1.0   0.02   0.02) =   0.016%
          QB    PHE   55 - HG3   PRO   93   8.30 +/- 3.75   8.603% *  0.1029% (1.00   1.0   0.02   0.02) =   0.012%
          HB2   PHE   59 - HG3   PRO   93  10.48 +/- 3.79   3.037% *  0.0952% (0.92   1.0   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HG3   PRO   93  12.33 +/- 3.57   1.795% *  0.0788% (0.76   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - HG3   PRO   93  19.83 +/- 4.05   0.704% *  0.1011% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.3:
      O   HD2   PRO   93 - HG3   PRO   93   2.64 +/- 0.28  97.414% * 99.4436% (0.25  10.0   3.97 132.33) =  99.992%  kept
          HA    THR   77 - HG3   PRO   93  12.69 +/- 4.07   2.087% *  0.3681% (0.92   1.0   0.02   0.02) =   0.008%
          HB2   TRP   27 - HG3   PRO   93  20.41 +/- 2.40   0.288% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.37 +/- 2.87   0.211% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  15.37 +/- 2.35 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.24 A violated in 20 structures by 11.14 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.697, support = 2.59, residual support = 5.0:
          HN    ALA  110 - HD2   PRO   93   7.87 +/- 3.63  47.346% * 83.0947% (0.71   2.89   5.76) =  86.575%  kept
          HN    PHE   45 - HD2   PRO   93   8.50 +/- 1.06  36.878% * 16.3758% (0.61   0.67   0.11) =  13.290%  kept
          HN    ASP-  44 - HD2   PRO   93  12.26 +/- 1.10  13.933% *  0.4267% (0.11   0.09   0.02) =   0.131%  kept
          HN    GLU-  25 - HD2   PRO   93  23.83 +/- 2.69   1.844% *  0.1028% (0.13   0.02   0.02) =   0.004%
    Distance limit 4.29 A violated in 13 structures by 2.14 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.387, support = 0.887, residual support = 0.761:
          HA1   GLY  109 - HD2   PRO   93   8.94 +/- 3.89  40.269% * 88.2723% (0.38   0.92   0.79) =  96.387%  kept
          HA    CYS   50 - HD2   PRO   93  10.81 +/- 3.81  25.699% *  1.7761% (0.35   0.02   0.02) =   1.238%  kept
          HA    TRP   49 - HD2   PRO   93  12.96 +/- 2.90  13.714% *  2.5065% (0.50   0.02   0.02) =   0.932%  kept
          HA    LYS+ 102 - HD2   PRO   93  21.98 +/- 1.70   7.526% *  3.6409% (0.72   0.02   0.02) =   0.743%  kept
          HA    CYS   21 - HD2   PRO   93  20.87 +/- 3.39   6.990% *  3.1652% (0.63   0.02   0.02) =   0.600%  kept
          HA    ALA   20 - HD2   PRO   93  20.37 +/- 2.71   5.801% *  0.6390% (0.13   0.02   0.02) =   0.101%  kept
    Distance limit 4.25 A violated in 14 structures by 3.10 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.684, support = 2.27, residual support = 5.7:
          QB    ALA  110 - HD2   PRO   93   6.77 +/- 3.46  34.225% * 93.7732% (0.69   2.29   5.76) =  99.041%  kept
          QB    ALA   61 - HD2   PRO   93  12.63 +/- 1.99   9.245% *  0.8645% (0.72   0.02   0.02) =   0.247%  kept
          QG    LYS+  66 - HD2   PRO   93  16.36 +/- 3.10   7.549% *  0.6938% (0.58   0.02   0.02) =   0.162%  kept
          HB3   LEU   67 - HD2   PRO   93  18.81 +/- 3.89   5.921% *  0.8196% (0.69   0.02   0.02) =   0.150%  kept
          HG    LEU   80 - HD2   PRO   93  16.49 +/- 2.04   3.530% *  0.8362% (0.70   0.02   0.02) =   0.091%
          HB3   LEU  115 - HD2   PRO   93  10.05 +/- 2.60  17.395% *  0.1517% (0.13   0.02   0.02) =   0.081%
          HB2   LEU   80 - HD2   PRO   93  15.24 +/- 1.95   4.705% *  0.4218% (0.35   0.02   0.02) =   0.061%
          HB3   LYS+  74 - HD2   PRO   93  16.87 +/- 2.65   4.736% *  0.2674% (0.22   0.02   0.02) =   0.039%
          HG    LEU   73 - HD2   PRO   93  18.44 +/- 2.27   2.198% *  0.5255% (0.44   0.02   0.02) =   0.036%
          HG12  ILE   19 - HD2   PRO   93  22.68 +/- 2.75   1.397% *  0.7771% (0.65   0.02   0.02) =   0.033%
          HG    LEU   40 - HD2   PRO   93  19.42 +/- 2.83   6.348% *  0.1517% (0.13   0.02   0.02) =   0.030%
          HD3   LYS+ 121 - HD2   PRO   93  19.13 +/- 2.98   1.666% *  0.2956% (0.25   0.02   0.02) =   0.015%
          HG2   LYS+ 102 - HD2   PRO   93  24.05 +/- 1.93   1.083% *  0.4218% (0.35   0.02   0.02) =   0.014%
    Distance limit 3.84 A violated in 13 structures by 2.57 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.475, support = 1.76, residual support = 10.7:
          QB    ALA  110 - HD3   PRO   93   7.21 +/- 3.55  21.512% * 56.5683% (0.78   0.75   5.76) =  56.820%  kept
          HB3   LEU   67 - HD3   PRO   68   4.21 +/- 0.57  32.294% * 25.4980% (0.08   3.39  19.40) =  38.448%  kept
          QG    LYS+  66 - HD3   PRO   68   5.18 +/- 1.28  21.301% *  4.0593% (0.05   0.85   0.02) =   4.037%  kept
          QB    ALA   61 - HD3   PRO   93  12.34 +/- 2.09   2.046% *  1.1250% (0.58   0.02   0.02) =   0.107%  kept
          HB2   LEU   80 - HD3   PRO   93  15.18 +/- 2.28   1.211% *  1.6451% (0.85   0.02   0.02) =   0.093%
          HB3   LYS+  74 - HD3   PRO   93  16.55 +/- 2.98   1.245% *  1.3925% (0.72   0.02   0.02) =   0.081%
          QG    LYS+  66 - HD3   PRO   93  16.20 +/- 3.27   2.726% *  0.5367% (0.28   0.02   0.02) =   0.068%
          HG    LEU   80 - HD3   PRO   93  16.42 +/- 2.40   0.854% *  1.4526% (0.75   0.02   0.02) =   0.058%
          HB3   LEU   67 - HD3   PRO   93  18.73 +/- 4.06   1.257% *  0.8465% (0.44   0.02   0.02) =   0.050%
          QB    LEU   98 - HD3   PRO   93  16.87 +/- 1.96   1.054% *  0.9149% (0.47   0.02   0.02) =   0.045%
          HD3   LYS+ 121 - HD3   PRO   68  17.28 +/- 5.69   3.364% *  0.2585% (0.13   0.02   0.02) =   0.041%
          HD3   LYS+ 121 - HD3   PRO   93  19.50 +/- 2.80   0.393% *  1.4526% (0.75   0.02   0.02) =   0.027%
          QB    ALA  110 - HD3   PRO   68  19.38 +/- 4.54   2.030% *  0.2685% (0.14   0.02   0.02) =   0.025%
          QB    ALA   61 - HD3   PRO   68  10.14 +/- 0.85   2.120% *  0.2002% (0.10   0.02   0.02) =   0.020%
          HG12  ILE   19 - HD3   PRO   93  22.46 +/- 2.85   0.252% *  1.6053% (0.83   0.02   0.02) =   0.019%
          HG12  ILE   19 - HD3   PRO   68  13.76 +/- 2.20   1.101% *  0.2857% (0.15   0.02   0.02) =   0.015%
          HB3   LYS+  74 - HD3   PRO   68  14.23 +/- 2.72   1.262% *  0.2478% (0.13   0.02   0.02) =   0.015%
          QB    LEU   98 - HD3   PRO   68  15.10 +/- 3.37   1.407% *  0.1628% (0.08   0.02   0.02) =   0.011%
          HG    LEU   73 - HD3   PRO   93  18.27 +/- 2.25   0.459% *  0.3046% (0.16   0.02   0.02) =   0.007%
          HB2   LEU   80 - HD3   PRO   68  20.91 +/- 2.58   0.303% *  0.2928% (0.15   0.02   0.02) =   0.004%
          HG    LEU   80 - HD3   PRO   68  21.73 +/- 3.10   0.268% *  0.2585% (0.13   0.02   0.02) =   0.003%
          QB    ALA   12 - HD3   PRO   93  28.47 +/- 3.58   0.118% *  0.4835% (0.25   0.02   0.02) =   0.003%
          QB    ALA   12 - HD3   PRO   68  17.44 +/- 3.34   0.628% *  0.0861% (0.04   0.02   0.02) =   0.003%
          HG    LEU   73 - HD3   PRO   68  14.59 +/- 1.50   0.793% *  0.0542% (0.03   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.46:
          QG2   ILE   89 - HB    THR   94   3.06 +/- 0.83 100.000% *100.0000% (0.28   2.00   5.46) = 100.000%  kept
    Distance limit 3.36 A violated in 1 structures by 0.23 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 2.0, residual support = 5.45:
          QD1   ILE   89 - HB    THR   94   3.16 +/- 0.80  84.067% * 98.9959% (0.77   2.00   5.46) =  99.872%  kept
          QG2   VAL   83 - HB    THR   94   7.11 +/- 1.31  13.648% *  0.7366% (0.57   0.02   0.02) =   0.121%  kept
          QD2   LEU   31 - HB    THR   94  13.60 +/- 2.54   2.284% *  0.2674% (0.21   0.02   0.02) =   0.007%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.1:
        T HB2   PHE   45 - HB    THR   94   2.73 +/- 0.68  89.029% * 99.8423% (0.81 10.00   2.96  27.12) =  99.988%  kept
          QE    LYS+ 111 - HB    THR   94  11.92 +/- 2.90   9.856% *  0.1032% (0.83  1.00   0.02   0.02) =   0.011%
          HB2   CYS   21 - HB    THR   94  15.41 +/- 3.47   1.115% *  0.0544% (0.44  1.00   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.05 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  13.45 +/- 2.67 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.01 A violated in 20 structures by 10.44 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 = 24.5:
      O   HN    THR   94 - HB    THR   94   2.84 +/- 0.25  94.978% * 99.8964% (0.83  10.0   3.08  24.53) =  99.997%  kept
          HN    GLU-  79 - HB    THR   94  11.20 +/- 2.25   2.411% *  0.0727% (0.61   1.0   0.02   0.02) =   0.002%
          HN    SER   85 - HB    THR   94  10.17 +/- 1.34   2.611% *  0.0309% (0.26   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.805, support = 3.41, residual support = 26.9:
          HN    PHE   45 - HB    THR   94   3.73 +/- 0.58  92.633% * 90.3589% (0.81   3.43  27.12) =  99.159%  kept
          HN    ALA  110 - HB    THR   94  10.07 +/- 2.19   7.367% *  9.6411% (0.67   0.44   0.02) =   0.841%  kept
    Distance limit 4.26 A violated in 0 structures by 0.05 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   5.67 +/- 0.87 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.52 A violated in 17 structures by 2.15 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.3, residual support = 14.5:
          HN    PHE   95 - QG2   THR   94   2.52 +/- 0.45 100.000% *100.0000% (0.97   4.30  14.54) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.642, support = 0.02, residual support = 0.02:
          HA    TRP   87 - HA    PHE   95  10.94 +/- 1.39  25.272% * 25.3593% (0.76   0.02   0.02) =  37.589%  kept
          HA    LEU  104 - HA    PHE   95  11.98 +/- 1.04  19.014% * 27.7167% (0.84   0.02   0.02) =  30.910%  kept
          HA    PHE   59 - HA    PHE   95   9.45 +/- 2.58  38.997% *  8.2742% (0.25   0.02   0.02) =  18.925%  kept
          HA    ASP-  86 - HA    PHE   95  14.09 +/- 1.21  11.479% * 12.4539% (0.38   0.02   0.02) =   8.385%  kept
          HA    GLU-  14 - HA    PHE   95  22.42 +/- 2.84   3.414% * 14.8769% (0.45   0.02   0.02) =   2.979%  kept
          HA    ALA   12 - HA    PHE   95  27.98 +/- 3.67   1.825% * 11.3190% (0.34   0.02   0.02) =   1.212%  kept
    Distance limit 3.56 A violated in 20 structures by 4.54 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   2.61 +/- 0.41  95.003% * 99.8140% (0.87   3.44  73.43) =  99.990%  kept
          HN    ALA   47 - HA    PHE   95   9.85 +/- 1.84   4.997% *  0.1860% (0.28   0.02   0.24) =   0.010%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.21 +/- 0.03  99.304% * 99.9753% (0.80  10.0   3.99  11.96) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  12.18 +/- 1.61   0.696% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.32, residual support = 73.4:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.02 100.000% *100.0000% (0.53  10.0   4.32  73.43) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.4:
      O   QD    PHE   95 - HB2   PHE   95   2.45 +/- 0.17  95.053% * 99.9680% (0.87  10.0   3.00  73.43) =  99.998%  kept
          HN    ALA   47 - HB2   PHE   95  11.06 +/- 2.35   4.947% *  0.0320% (0.28   1.0   0.02   0.24) =   0.002%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.4:
      O   QD    PHE   95 - HB3   PHE   95   2.52 +/- 0.16  86.387% * 99.3170% (0.87  10.0   3.31  73.43) =  99.892%  kept
          HN    ALA   47 - HB3   PHE   95  10.69 +/- 2.61  13.613% *  0.6830% (0.28   1.0   0.43   0.24) =   0.108%  kept
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.19, residual support = 73.4:
      O   HN    PHE   95 - HB3   PHE   95   3.46 +/- 0.41 100.000% *100.0000% (0.53  10.0   4.19  73.43) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.85, residual support = 73.4:
      O   HN    PHE   95 - HB2   PHE   95   2.64 +/- 0.31 100.000% *100.0000% (0.53  10.0   3.85  73.43) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.832, support = 2.07, residual support = 45.7:
          QG2   VAL  107 - HB3   PHE   95   3.57 +/- 0.73  71.487% * 91.1921% (0.84   2.09  46.01) =  99.251%  kept
          HG13  ILE  103 - HB3   PHE   95  10.22 +/- 1.55   5.726% *  6.0233% (0.38   0.31   0.02) =   0.525%  kept
          HG2   LYS+ 121 - HB3   PHE   95  12.37 +/- 4.03   6.661% *  1.0248% (0.98   0.02   0.02) =   0.104%  kept
          HG13  ILE  119 - HB3   PHE   95   8.71 +/- 2.39  12.797% *  0.4298% (0.41   0.02   0.02) =   0.084%
          QB    ALA   20 - HB3   PHE   95  14.96 +/- 2.08   2.002% *  0.9376% (0.90   0.02   0.02) =   0.029%
          HB3   LEU   31 - HB3   PHE   95  16.48 +/- 2.50   1.327% *  0.3924% (0.38   0.02   0.02) =   0.008%
    Distance limit 3.97 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.7, support = 1.45, residual support = 4.09:
          QD1   LEU   63 - HB3   PHE   95   6.98 +/- 3.28  31.655% * 42.5339% (0.57   1.80   2.45) =  51.236%  kept
          QD2   LEU  115 - HB3   PHE   95   6.59 +/- 1.56  24.900% * 44.5087% (0.90   1.19   6.72) =  42.174%  kept
          QD1   LEU   73 - HB3   PHE   95  10.88 +/- 3.12  15.654% *  7.6885% (0.57   0.33   0.02) =   4.580%  kept
          QG2   ILE   89 - HB3   PHE   95   7.93 +/- 0.88  13.907% *  3.0562% (0.15   0.47   0.02) =   1.617%  kept
          QD1   LEU  104 - HB3   PHE   95   9.65 +/- 1.70   6.791% *  0.8352% (1.00   0.02   0.02) =   0.216%  kept
          QG1   VAL   83 - HB3   PHE   95  11.78 +/- 1.93   4.993% *  0.6065% (0.73   0.02   0.02) =   0.115%  kept
          QD2   LEU   80 - HB3   PHE   95  13.99 +/- 1.82   2.101% *  0.7710% (0.92   0.02   0.02) =   0.062%
    Distance limit 3.74 A violated in 4 structures by 0.76 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 0.743, residual support = 0.667:
          QG1   VAL   42 - HB3   PHE   95   5.49 +/- 2.41  52.220% * 33.3396% (0.65   0.73   0.81) =  63.118%  kept
          QB    ALA   47 - HB3   PHE   95  10.20 +/- 2.61  16.495% * 30.9439% (0.76   0.58   0.24) =  18.504%  kept
          QB    ALA   64 - HB3   PHE   95   8.96 +/- 1.58  14.156% * 35.2830% (0.53   0.96   0.55) =  18.108%  kept
          HG2   LYS+ 112 - HB3   PHE   95  10.49 +/- 2.39  17.129% *  0.4334% (0.31   0.02   3.68) =   0.269%  kept
    Distance limit 3.75 A violated in 7 structures by 1.06 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 4.03, residual support = 45.9:
          QG2   VAL  107 - HB2   PHE   95   2.62 +/- 0.55  87.955% * 94.8569% (0.34   4.03  46.01) =  99.863%  kept
          HG13  ILE  119 - HB2   PHE   95   8.99 +/- 2.33   5.311% *  1.2368% (0.90   0.02   0.02) =   0.079%
          HG2   LYS+ 121 - HB2   PHE   95  12.44 +/- 3.99   2.828% *  0.7808% (0.57   0.02   0.02) =   0.026%
          QB    ALA   20 - HB2   PHE   95  15.70 +/- 2.01   0.926% *  1.2730% (0.92   0.02   0.02) =   0.014%
          HD3   LYS+ 112 - HB2   PHE   95  10.83 +/- 2.25   1.870% *  0.3834% (0.28   0.02   3.68) =   0.009%
          HB3   LEU   31 - HB2   PHE   95  17.37 +/- 2.49   0.515% *  1.1962% (0.87   0.02   0.02) =   0.007%
          QG1   VAL   24 - HB2   PHE   95  16.65 +/- 2.38   0.595% *  0.2729% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.21, residual support = 46.0:
        T HB    VAL  107 - HB2   PHE   95   2.30 +/- 0.55  90.189% * 99.6841% (0.80 10.00   4.21  46.01) =  99.995%  kept
          QE    LYS+ 112 - HB2   PHE   95   9.56 +/- 2.01   5.329% *  0.0467% (0.38  1.00   0.02   3.68) =   0.003%
          HB3   PHE   45 - HB2   PHE   95   7.61 +/- 1.24   3.501% *  0.0467% (0.38  1.00   0.02   1.89) =   0.002%
          QG    GLU-  79 - HB2   PHE   95  14.74 +/- 1.99   0.535% *  0.0855% (0.69  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HB2   PHE   95  20.98 +/- 1.77   0.165% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.99 +/- 0.61   0.281% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.922, support = 0.748, residual support = 5.44:
          QD1   ILE   89 - QG2   THR   94   2.50 +/- 1.02  84.388% * 97.3666% (0.92   0.75   5.46) =  99.684%  kept
          QG2   VAL   83 - QG2   THR   94   6.10 +/- 1.37  12.277% *  1.9321% (0.69   0.02   0.02) =   0.288%  kept
          QD2   LEU   31 - QG2   THR   94  11.53 +/- 2.32   3.335% *  0.7014% (0.25   0.02   0.02) =   0.028%
    Distance limit 3.14 A violated in 1 structures by 0.19 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.07, residual support = 2.14:
        T HA    LYS+ 106 - HA    MET   96   3.00 +/- 0.69 100.000% *100.0000% (0.97 10.00   1.07   2.14) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 44.5:
      O   HN    PHE   97 - HA    MET   96   2.28 +/- 0.08  98.767% * 99.8692% (0.88  10.0   6.07  44.54) =  99.999%  kept
          HN    LEU  115 - HA    MET   96  12.11 +/- 1.23   0.734% *  0.0999% (0.88   1.0   0.02   0.11) =   0.001%
          HN    ASP- 113 - HA    MET   96  15.09 +/- 1.94   0.499% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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   4.09 115.43) = 100.000%  kept
    Distance limit 3.77 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 = 1.95, residual support = 8.33:
        T QE    PHE   45 - HB2   MET   96   4.17 +/- 1.89  72.011% * 98.2803% (0.49 10.00   1.96   8.35) =  99.722%  kept
        T HZ    PHE   72 - HB2   MET   96  10.67 +/- 2.29  10.964% *  1.5779% (0.76 10.00   0.02   0.02) =   0.244%  kept
          QD    PHE   72 - HB2   MET   96   9.23 +/- 1.54  17.025% *  0.1418% (0.69  1.00   0.02   0.02) =   0.034%
    Distance limit 3.84 A violated in 5 structures by 0.80 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 44.5:
          HN    PHE   97 - HB2   MET   96   4.13 +/- 0.27  95.023% * 99.4517% (0.92   6.07  44.54) =  99.988%  kept
          HN    LEU  115 - HB2   MET   96  13.72 +/- 1.36   3.100% *  0.3276% (0.92   0.02   0.11) =   0.011%
          HN    ALA   12 - HB2   MET   96  28.29 +/- 4.40   0.444% *  0.1727% (0.49   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   MET   96  17.72 +/- 2.42   1.433% *  0.0480% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.04, residual support = 115.4:
      O   HN    MET   96 - HB2   MET   96   2.75 +/- 0.37 100.000% *100.0000% (0.65  10.0   4.04 115.43) = 100.000%  kept
    Distance limit 3.75 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 = 0.809, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  10.90 +/- 2.51  42.007% * 81.6578% (0.99   0.02   0.02) =  76.330%  kept
          QD    PHE   72 - HB3   MET   96   9.44 +/- 1.78  57.993% * 18.3422% (0.22   0.02   0.02) =  23.670%  kept
    Distance limit 3.69 A violated in 20 structures by 5.03 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.97, residual support = 115.4:
      O   HN    MET   96 - HB3   MET   96   2.85 +/- 0.36 100.000% *100.0000% (0.65  10.0   3.97 115.43) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.752, support = 1.86, residual support = 13.9:
          QG1   VAL   43 - HB2   MET   96   3.33 +/- 1.07  65.983% * 63.3599% (0.73   2.00  15.57) =  88.999%  kept
          QG2   THR   46 - HB2   MET   96   9.30 +/- 1.74  14.879% * 33.8714% (0.98   0.79   0.14) =  10.729%  kept
          QD2   LEU  104 - HB2   MET   96   8.05 +/- 1.13   8.751% *  0.6987% (0.80   0.02   0.02) =   0.130%  kept
          QG2   VAL   18 - HB2   MET   96  12.96 +/- 3.68   3.019% *  0.8055% (0.92   0.02   0.02) =   0.052%
          QG1   VAL   41 - HB2   MET   96   9.31 +/- 1.54   4.911% *  0.4591% (0.53   0.02   0.02) =   0.048%
          QD1   ILE   19 - HB2   MET   96  13.89 +/- 2.56   2.458% *  0.8055% (0.92   0.02   0.02) =   0.042%
    Distance limit 4.00 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.747, support = 1.34, residual support = 3.93:
          QD1   ILE   89 - HB2   MET   96   4.38 +/- 1.27  61.916% * 55.8682% (0.69   1.50   5.08) =  74.708%  kept
          QG2   VAL   83 - HB2   MET   96   6.98 +/- 1.83  26.891% * 43.1308% (0.92   0.86   0.56) =  25.050%  kept
          QD2   LEU   31 - HB2   MET   96  10.97 +/- 2.83  11.193% *  1.0011% (0.92   0.02   0.02) =   0.242%  kept
    Distance limit 3.95 A violated in 2 structures by 0.38 A, kept.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.682, support = 1.49, residual support = 5.0:
        T QD1   ILE   89 - HB3   MET   96   4.28 +/- 1.62  68.151% * 96.2244% (0.69 10.00   1.50   5.08) =  98.199%  kept
          QG2   VAL   83 - HB3   MET   96   6.83 +/- 1.90  31.849% *  3.7756% (0.41  1.00   0.98   0.56) =   1.801%  kept
    Distance limit 3.94 A violated in 2 structures by 0.50 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 44.5:
          HN    PHE   97 - HG2   MET   96   2.82 +/- 0.69  94.367% * 99.1282% (0.92   5.59  44.54) =  99.991%  kept
          HN    LEU  115 - HG2   MET   96  14.40 +/- 1.44   1.296% *  0.3545% (0.92   0.02   0.11) =   0.005%
          HN    LEU  115 - HB2   PRO   52  11.59 +/- 2.66   2.812% *  0.1041% (0.27   0.02   0.02) =   0.003%
          HN    PHE   97 - HB2   PRO   52  18.00 +/- 2.58   0.625% *  0.1041% (0.27   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   96  18.05 +/- 2.81   0.541% *  0.0520% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  29.19 +/- 5.29   0.145% *  0.1869% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  34.61 +/- 5.25   0.081% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  28.60 +/- 3.74   0.132% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 5.99, residual support = 44.5:
          HN    PHE   97 - HG3   MET   96   3.77 +/- 0.44  96.848% * 99.5648% (0.54   5.99  44.54) =  99.992%  kept
          HN    LEU  115 - HG3   MET   96  14.70 +/- 1.38   1.954% *  0.3322% (0.54   0.02   0.11) =   0.007%
          HN    ASP- 113 - HG3   MET   96  17.52 +/- 2.04   1.198% *  0.1030% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.616, support = 1.73, residual support = 4.9:
          HG13  ILE  103 - HG2   MET   96   4.09 +/- 2.04  42.695% * 27.2768% (0.25   2.18   6.81) =  49.895%  kept
          QG2   THR   94 - HG2   MET   96   5.80 +/- 0.87  17.704% * 64.9588% (0.99   1.31   3.06) =  49.272%  kept
          QG2   THR   94 - HB2   PRO   52  11.11 +/- 2.50   6.691% *  1.1992% (0.29   0.08   0.02) =   0.344%  kept
          HB3   LYS+ 112 - HB2   PRO   52   9.15 +/- 4.09  14.368% *  0.2887% (0.29   0.02   0.02) =   0.178%  kept
          HD2   LYS+ 112 - HB2   PRO   52   9.34 +/- 3.62  11.968% *  0.2555% (0.25   0.02   0.02) =   0.131%  kept
          HB3   LYS+ 112 - HG2   MET   96  17.32 +/- 2.36   0.646% *  3.8389% (0.98   0.08   0.02) =   0.106%  kept
          HD2   LYS+ 112 - HG2   MET   96  17.16 +/- 2.92   0.842% *  0.8698% (0.87   0.02   0.02) =   0.031%
          HB3   LEU   71 - HG2   MET   96  16.23 +/- 2.74   0.811% *  0.8029% (0.80   0.02   0.02) =   0.028%
          HG3   LYS+ 111 - HB2   PRO   52  11.54 +/- 4.05   2.836% *  0.0454% (0.05   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HG2   MET   96  17.06 +/- 2.56   0.674% *  0.1547% (0.15   0.02   0.02) =   0.004%
          HB3   LEU   71 - HB2   PRO   52  23.13 +/- 4.57   0.401% *  0.2359% (0.24   0.02   0.02) =   0.004%
          HG13  ILE  103 - HB2   PRO   52  21.31 +/- 2.90   0.364% *  0.0734% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.909, support = 2.6, residual support = 6.75:
          QG2   ILE  103 - HG2   MET   96   3.75 +/- 1.14  38.219% * 71.9091% (1.00   2.83   6.81) =  82.188%  kept
          QD1   ILE  103 - HG2   MET   96   4.44 +/- 1.80  28.712% * 19.7607% (0.49   1.59   6.81) =  16.967%  kept
          QD2   LEU   40 - HG2   MET   96   9.34 +/- 2.42   3.887% *  5.8256% (0.95   0.24   0.02) =   0.677%  kept
          HB    VAL   75 - HG2   MET   96  10.88 +/- 2.08   5.523% *  0.1913% (0.38   0.02   0.02) =   0.032%
          HG3   LYS+  74 - HB2   PRO   52  17.91 +/- 4.86   6.881% *  0.1484% (0.29   0.02   0.02) =   0.031%
          QD1   LEU   67 - HG2   MET   96  11.89 +/- 2.46   1.987% *  0.4918% (0.97   0.02   0.02) =   0.029%
          HG3   LYS+  74 - HG2   MET   96  14.78 +/- 2.82   1.549% *  0.5051% (0.99   0.02   0.02) =   0.023%
          QD1   LEU   67 - HB2   PRO   52  15.55 +/- 3.09   2.980% *  0.1445% (0.28   0.02   0.02) =   0.013%
          QD2   LEU   71 - HG2   MET   96  14.00 +/- 2.62   1.353% *  0.3091% (0.61   0.02   0.02) =   0.013%
          QG2   ILE  119 - HG2   MET   96  13.91 +/- 2.26   2.262% *  0.1573% (0.31   0.02   0.02) =   0.011%
          QD2   LEU   40 - HB2   PRO   52  17.85 +/- 3.30   1.432% *  0.1416% (0.28   0.02   0.02) =   0.006%
          QG2   ILE  103 - HB2   PRO   52  17.28 +/- 2.31   0.746% *  0.1494% (0.29   0.02   0.02) =   0.003%
          QG2   ILE  119 - HB2   PRO   52  12.51 +/- 2.32   2.145% *  0.0462% (0.09   0.02   0.02) =   0.003%
          HB    VAL   75 - HB2   PRO   52  15.63 +/- 3.33   1.114% *  0.0562% (0.11   0.02   0.02) =   0.002%
          QD2   LEU   71 - HB2   PRO   52  19.21 +/- 3.79   0.684% *  0.0908% (0.18   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB2   PRO   52  18.62 +/- 2.41   0.526% *  0.0729% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 1 structures by 0.26 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.34, support = 0.478, residual support = 0.613:
          HG    LEU   98 - HG3   MET   96   5.28 +/- 2.09  25.480% * 22.9791% (0.25   0.68   0.23) =  58.686%  kept
          HG3   LYS+ 106 - HG3   MET   96   5.15 +/- 2.08  25.835% *  8.1452% (0.61   0.10   2.14) =  21.092%  kept
          QB    LEU   98 - HG3   MET   96   4.91 +/- 1.21  20.981% *  4.3168% (0.14   0.24   0.23) =   9.078%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.31 +/- 1.60   1.539% * 36.4809% (0.59   0.46   0.02) =   5.627%  kept
          HB3   PRO   93 - HG3   MET   96  12.40 +/- 1.63   1.263% * 15.9987% (0.34   0.35   0.02) =   2.026%  kept
          HB3   LEU   73 - HG3   MET   96  12.31 +/- 3.69   9.410% *  1.5468% (0.57   0.02   0.02) =   1.459%  kept
          QB    ALA   84 - HG3   MET   96   9.54 +/- 1.96   7.436% *  0.8603% (0.32   0.02   0.02) =   0.641%  kept
          HB3   ASP-  44 - HG3   MET   96  10.03 +/- 1.29   2.315% *  2.5147% (0.12   0.16   0.02) =   0.583%  kept
          HB    VAL   42 - HG3   MET   96   9.15 +/- 2.27   3.891% *  1.4665% (0.54   0.02   0.02) =   0.572%  kept
          HB2   LYS+ 112 - HG3   MET   96  17.31 +/- 2.33   0.476% *  1.6207% (0.60   0.02   0.02) =   0.077%
          HG3   LYS+  65 - HG3   MET   96  17.24 +/- 2.39   0.520% *  1.4665% (0.54   0.02   0.02) =   0.076%
          HG3   LYS+  33 - HG3   MET   96  17.73 +/- 2.69   0.402% *  1.3658% (0.51   0.02   0.02) =   0.055%
          QB    ALA  124 - HG3   MET   96  19.80 +/- 3.31   0.271% *  0.5047% (0.19   0.02   0.02) =   0.014%
          QB    ALA   12 - HG3   MET   96  23.77 +/- 4.47   0.182% *  0.7331% (0.27   0.02   0.02) =   0.013%
    Distance limit 3.91 A violated in 0 structures by 0.05 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 = 0.413, support = 1.7, residual support = 4.61:
          QG2   THR   94 - HG3   MET   96   5.66 +/- 1.18  35.362% * 60.8093% (0.60  1.00   1.31   3.06) =  57.768%  kept
          HG13  ILE  103 - HG3   MET   96   4.59 +/- 1.90  58.473% * 26.5585% (0.15  1.00   2.27   6.81) =  41.720%  kept
        T HD2   LYS+ 112 - HG3   MET   96  17.21 +/- 3.06   1.520% *  8.1422% (0.53 10.00   0.02   0.02) =   0.333%  kept
          HB3   LYS+ 112 - HG3   MET   96  17.37 +/- 2.59   1.387% *  3.5936% (0.59  1.00   0.08   0.02) =   0.134%  kept
          HB3   LEU   71 - HG3   MET   96  15.71 +/- 3.19   2.002% *  0.7516% (0.49  1.00   0.02   0.02) =   0.040%
          HG3   LYS+ 111 - HG3   MET   96  17.22 +/- 2.69   1.256% *  0.1448% (0.09  1.00   0.02   0.02) =   0.005%
    Distance limit 3.78 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.541, support = 2.44, residual support = 6.71:
          QG2   ILE  103 - HG3   MET   96   4.55 +/- 0.92  37.553% * 72.9566% (0.61   2.73   6.81) =  78.207%  kept
          QD1   ILE  103 - HG3   MET   96   4.64 +/- 1.75  37.103% * 19.1887% (0.30   1.47   6.81) =  20.323%  kept
          QD2   LEU   40 - HG3   MET   96   9.26 +/- 2.35   7.490% *  6.1172% (0.57   0.24   0.02) =   1.308%  kept
          QD1   LEU   67 - HG3   MET   96  11.57 +/- 2.38   3.658% *  0.5165% (0.59   0.02   0.02) =   0.054%
          HB    VAL   75 - HG3   MET   96  10.33 +/- 2.36   6.346% *  0.2008% (0.23   0.02   0.02) =   0.036%
          HG3   LYS+  74 - HG3   MET   96  14.24 +/- 3.09   2.226% *  0.5304% (0.60   0.02   0.02) =   0.034%
          QD2   LEU   71 - HG3   MET   96  13.59 +/- 2.89   2.715% *  0.3246% (0.37   0.02   0.02) =   0.025%
          QG2   ILE  119 - HG3   MET   96  14.17 +/- 2.20   2.909% *  0.1652% (0.19   0.02   0.02) =   0.014%
    Distance limit 3.84 A violated in 1 structures by 0.43 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.37, residual support = 10.7:
      O   HN    LEU   98 - HA    PHE   97   2.22 +/- 0.04 100.000% *100.0000% (0.80  10.0   3.37  10.71) = 100.000%  kept
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.71, residual support = 62.3:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  98.454% * 99.8692% (0.90  10.0   4.71  62.27) =  99.999%  kept
          HN    LEU  115 - HA    PHE   97  14.27 +/- 1.54   0.941% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    PHE   97  17.44 +/- 2.15   0.605% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.3:
      O T QD    PHE   97 - HB2   PHE   97   2.44 +/- 0.14  97.933% * 99.9164% (0.45  10.0 10.00   2.44  62.27) =  99.998%  kept
          HZ3   TRP   87 - HB2   PHE   97  10.17 +/- 2.81   2.067% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.38 +/- 0.54  99.323% * 99.8984% (0.95   7.80  58.74) =  99.999%  kept
          HN    ALA   88 - HB2   PHE   97  14.69 +/- 1.86   0.677% *  0.1016% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.52 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 = 4.82, residual support = 62.3:
      O   HN    PHE   97 - HB2   PHE   97   2.86 +/- 0.58  98.008% * 99.8692% (0.90  10.0   4.82  62.27) =  99.998%  kept
          HN    LEU  115 - HB2   PHE   97  13.61 +/- 1.91   1.331% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB2   PHE   97  16.79 +/- 2.08   0.662% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.936, support = 3.4, residual support = 45.2:
        T HB3   ASP- 105 - HB2   PHE   97   3.54 +/- 1.05  45.420% * 52.6058% (0.99 10.00   3.84  58.74) =  71.387%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.07 +/- 0.98  21.041% * 42.4995% (0.80 10.00   2.33  11.86) =  26.717%  kept
          HB    ILE  103 - HB2   PHE   97   6.20 +/- 0.93  14.086% *  3.1385% (1.00  1.00   1.18   3.43) =   1.321%  kept
          HG12  ILE  103 - HB2   PHE   97   5.87 +/- 0.98  13.294% *  1.4313% (0.20  1.00   2.73   3.43) =   0.568%  kept
          HG3   PRO   68 - HB2   PHE   97  17.16 +/- 5.35   1.139% *  0.0530% (1.00  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HB2   PHE   97  17.92 +/- 2.81   0.744% *  0.0443% (0.84  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB2   PHE   97  17.04 +/- 3.16   0.594% *  0.0502% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HB2   PHE   97  17.43 +/- 2.09   0.553% *  0.0476% (0.90  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PHE   97  20.62 +/- 3.30   0.377% *  0.0530% (1.00  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB2   PHE   97  15.92 +/- 4.54   0.826% *  0.0218% (0.41  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   PHE   97  15.01 +/- 2.54   0.801% *  0.0199% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  17.90 +/- 3.79   0.701% *  0.0132% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  19.13 +/- 3.10   0.423% *  0.0218% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.302, support = 4.46, residual support = 14.0:
        T HB2   LEU  104 - HB2   PHE   97   3.71 +/- 1.27  34.382% * 81.5711% (0.31 10.00   4.67  16.23) =  83.105%  kept
          QG2   ILE  103 - HB2   PHE   97   3.38 +/- 0.84  38.871% * 12.5871% (0.25  1.00   3.82   3.43) =  14.498%  kept
          QD2   LEU   40 - HB2   PHE   97   7.76 +/- 3.79  15.216% *  5.2428% (0.38  1.00   1.06   0.71) =   2.364%  kept
          QD1   LEU   67 - HB2   PHE   97  11.15 +/- 3.71   4.585% *  0.0902% (0.34  1.00   0.02   0.02) =   0.012%
          QD1   ILE  119 - HB2   PHE   97  11.42 +/- 2.50   1.386% *  0.1603% (0.61  1.00   0.02   0.55) =   0.007%
          QG2   VAL  108 - HB2   PHE   97   8.51 +/- 0.95   4.244% *  0.0523% (0.20  1.00   0.02   0.02) =   0.007%
          HB    VAL   75 - HB2   PHE   97  12.68 +/- 1.24   0.863% *  0.2500% (0.95  1.00   0.02   0.02) =   0.006%
          HG3   LYS+  74 - HB2   PHE   97  16.43 +/- 2.25   0.452% *  0.0463% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.305, support = 2.14, residual support = 7.64:
          HB2   LEU  104 - HB3   PHE   97   3.59 +/- 1.41  41.961% * 22.1699% (0.29  1.00   3.23  16.23) =  41.127%  kept
        T QD2   LEU   40 - HB3   PHE   97   7.52 +/- 3.91  13.929% * 62.5434% (0.36 10.00   0.75   0.71) =  38.512%  kept
          QG2   ILE  103 - HB3   PHE   97   3.90 +/- 0.60  32.112% * 14.2794% (0.24  1.00   2.58   3.43) =  20.272%  kept
          QD1   ILE  119 - HB3   PHE   97  11.45 +/- 2.63   2.568% *  0.2695% (0.57  1.00   0.02   0.55) =   0.031%
          HB    VAL   75 - HB3   PHE   97  12.79 +/- 1.31   1.052% *  0.4204% (0.89  1.00   0.02   0.02) =   0.020%
          QG2   VAL  108 - HB3   PHE   97   8.76 +/- 1.09   4.878% *  0.0879% (0.19  1.00   0.02   0.02) =   0.019%
          QD1   LEU   67 - HB3   PHE   97  10.97 +/- 3.62   2.487% *  0.1516% (0.32  1.00   0.02   0.02) =   0.017%
          HG3   LYS+  74 - HB3   PHE   97  16.43 +/- 2.41   1.013% *  0.0778% (0.17  1.00   0.02   0.02) =   0.003%
    Distance limit 3.47 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.3:
      O T QD    PHE   97 - HB3   PHE   97   2.49 +/- 0.17  96.019% * 99.8821% (0.87  10.0 10.00   2.74  62.27) =  99.997%  kept
          HZ3   TRP   87 - HB3   PHE   97  10.21 +/- 3.06   3.267% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.003%
          HE3   TRP   49 - HB3   PHE   97  20.87 +/- 5.30   0.714% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.67, residual support = 58.7:
          HN    ASP- 105 - HB3   PHE   97   2.61 +/- 0.71  98.443% * 99.1072% (0.46   5.67  58.74) =  99.992%  kept
          HN    ALA   88 - HB3   PHE   97  14.95 +/- 2.05   1.132% *  0.6232% (0.82   0.02   0.02) =   0.007%
          HN    PHE   55 - HB3   PHE   97  18.65 +/- 2.45   0.425% *  0.2696% (0.36   0.02   0.02) =   0.001%
    Distance limit 3.85 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 = 5.17, residual support = 62.3:
      O   HN    PHE   97 - HB3   PHE   97   3.19 +/- 0.48  97.335% * 99.8692% (0.85  10.0   5.17  62.27) =  99.998%  kept
          HN    LEU  115 - HB3   PHE   97  13.79 +/- 2.01   1.665% *  0.0999% (0.85   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB3   PHE   97  16.98 +/- 2.27   0.999% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.777, support = 1.93, residual support = 42.4:
          HB3   ASP- 105 - HB3   PHE   97   3.78 +/- 0.96  51.049% * 44.1069% (0.72  1.00   2.25  58.74) =  66.065%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.40 +/- 1.34  28.302% * 34.8598% (0.93  1.00   1.39  11.86) =  28.948%  kept
          HB    ILE  103 - HB3   PHE   97   6.67 +/- 0.66   9.923% * 16.4943% (0.65  1.00   0.94   3.43) =   4.802%  kept
        T HB3   PRO   58 - HB3   PHE   97  16.13 +/- 4.40   2.860% *  1.1418% (0.21 10.00   0.02   0.02) =   0.096%
          QB    LYS+  33 - HB3   PHE   97  16.84 +/- 3.63   1.589% *  0.4449% (0.82  1.00   0.02   0.02) =   0.021%
          HB    ILE   56 - HB3   PHE   97  15.04 +/- 2.49   1.143% *  0.4449% (0.82  1.00   0.02   0.02) =   0.015%
          HG3   PRO   68 - HB3   PHE   97  16.81 +/- 5.11   1.450% *  0.3318% (0.61  1.00   0.02   0.02) =   0.014%
          HB3   GLN   90 - HB3   PHE   97  17.77 +/- 2.13   0.684% *  0.4734% (0.87  1.00   0.02   0.02) =   0.009%
          QB    LYS+  81 - HB3   PHE   97  18.17 +/- 2.91   0.639% *  0.4950% (0.91  1.00   0.02   0.02) =   0.009%
          HB3   LYS+  38 - HB3   PHE   97  17.66 +/- 3.94   0.623% *  0.3724% (0.69  1.00   0.02   0.02) =   0.007%
          HB3   GLN   30 - HB3   PHE   97  16.18 +/- 2.32   0.829% *  0.2698% (0.50  1.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - HB3   PHE   97  20.70 +/- 3.37   0.441% *  0.3724% (0.69  1.00   0.02   0.02) =   0.005%
          HB2   MET   92 - HB3   PHE   97  17.97 +/- 1.36   0.468% *  0.1925% (0.36  1.00   0.02   0.02) =   0.003%
    Distance limit 4.05 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 = 0.347, support = 3.95, residual support = 25.9:
          HG12  ILE  103 - HA    LEU   98   3.65 +/- 0.82  51.349% * 54.7007% (0.25   4.89  30.11) =  76.486%  kept
          HB    VAL   41 - HA    LEU   98   8.59 +/- 4.40  20.152% * 22.0625% (0.38   1.31  22.29) =  12.107%  kept
          QB    LYS+ 102 - HA    LEU   98   5.30 +/- 0.59  21.080% * 19.6420% (0.98   0.45   1.61) =  11.275%  kept
          QB    LYS+  66 - HA    LEU   98  15.52 +/- 3.88   3.678% *  0.5081% (0.57   0.02   0.02) =   0.051%
          HB2   LEU   71 - HA    LEU   98  14.64 +/- 4.16   1.503% *  0.8954% (1.00   0.02   0.02) =   0.037%
          QB    LYS+  65 - HA    LEU   98  16.04 +/- 2.22   0.818% *  0.8974% (1.00   0.02   0.02) =   0.020%
          HG2   PRO   93 - HA    LEU   98  18.17 +/- 2.12   0.659% *  0.7496% (0.84   0.02   0.02) =   0.013%
          HB3   GLN   17 - HA    LEU   98  19.28 +/- 4.36   0.761% *  0.5443% (0.61   0.02   0.02) =   0.011%
    Distance limit 3.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.701, support = 2.9, residual support = 29.0:
          HA    ILE  103 - HA    LEU   98   2.34 +/- 1.07  76.859% * 76.2154% (0.73   2.96  30.11) =  94.388%  kept
          HA    LEU  104 - HA    LEU   98   5.26 +/- 0.68  18.013% * 19.2096% (0.28   1.95   9.76) =   5.575%  kept
          HA    ASP-  44 - HA    LEU   98  11.96 +/- 1.26   0.913% *  0.6366% (0.90   0.02   0.02) =   0.009%
          HB    THR   77 - HA    LEU   98  17.48 +/- 4.16   0.756% *  0.5929% (0.84   0.02   0.02) =   0.007%
          HA    ASP-  86 - HA    LEU   98  15.00 +/- 1.77   0.636% *  0.5155% (0.73   0.02   0.02) =   0.005%
          HA    SER   85 - HA    LEU   98  16.65 +/- 2.54   0.443% *  0.5929% (0.84   0.02   0.02) =   0.004%
          HA    GLU-  79 - HA    LEU   98  18.77 +/- 4.05   0.893% *  0.2421% (0.34   0.02   0.02) =   0.003%
          HA    THR   39 - HA    LEU   98  13.90 +/- 4.74   0.766% *  0.1974% (0.28   0.02   0.02) =   0.002%
          HA    GLU-  14 - HA    LEU   98  21.47 +/- 5.19   0.250% *  0.4592% (0.65   0.02   0.02) =   0.002%
          HA    ALA   12 - HA    LEU   98  26.78 +/- 5.92   0.119% *  0.5425% (0.76   0.02   0.02) =   0.001%
          HA    MET   11 - HA    LEU   98  29.10 +/- 6.18   0.089% *  0.6553% (0.92   0.02   0.02) =   0.001%
          HA1   GLY   51 - HA    LEU   98  24.52 +/- 3.88   0.265% *  0.1405% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.99, residual support = 5.58:
          HN    ASP- 105 - HA    LEU   98   4.91 +/- 0.70  94.666% * 99.8016% (0.95   3.99   5.58) =  99.989%  kept
          HN    ALA   88 - HA    LEU   98  14.56 +/- 1.94   5.334% *  0.1984% (0.38   0.02   0.02) =   0.011%
    Distance limit 3.98 A violated in 4 structures by 0.93 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.23, residual support = 17.5:
      O   HN    LYS+  99 - HA    LEU   98   2.31 +/- 0.12  96.115% * 99.7964% (0.80  10.0   4.24  17.51) =  99.997%  kept
          HE1   HIS  122 - HA    LEU   98  13.32 +/- 6.85   2.877% *  0.0905% (0.73   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    LEU   98  22.11 +/- 5.50   0.502% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  15.59 +/- 4.17   0.506% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 3.52, residual support = 9.76:
          HN    LEU  104 - HA    LEU   98   3.08 +/- 0.72  98.432% * 99.6276% (0.92   3.52   9.76) =  99.994%  kept
          HN    PHE   72 - HA    LEU   98  13.94 +/- 2.48   1.568% *  0.3724% (0.61   0.02   0.02) =   0.006%
    Distance limit 3.44 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.08, residual support = 76.9:
      O   HN    LEU   98 - HA    LEU   98   2.90 +/- 0.03 100.000% *100.0000% (0.98  10.0   5.08  76.88) = 100.000%  kept
    Distance limit 3.64 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 = 0.466, support = 3.45, residual support = 24.6:
        T HB    VAL   41 - QB    LEU   98   6.24 +/- 4.06  30.518% * 67.1451% (0.42 10.00   3.38  22.29) =  68.838%  kept
          HG12  ILE  103 - QB    LEU   98   2.81 +/- 1.06  46.111% * 17.5688% (0.56  1.00   3.94  30.11) =  27.215%  kept
          HB    ILE  103 - QB    LEU   98   4.71 +/- 1.17  14.780% *  6.7693% (0.60  1.00   1.43  30.11) =   3.361%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.15 +/- 0.78   1.924% *  5.1358% (0.27 10.00   0.24   0.02) =   0.332%  kept
          HB3   ASP- 105 - QB    LEU   98   7.84 +/- 1.10   3.308% *  2.1263% (0.53  1.00   0.51   5.58) =   0.236%  kept
        T QB    LYS+  33 - QB    LEU   98  12.94 +/- 2.91   0.510% *  0.6715% (0.42 10.00   0.02   0.02) =   0.011%
          HB3   GLN   90 - QB    LEU   98  15.77 +/- 2.49   0.817% *  0.0567% (0.36  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - QB    LEU   98  15.00 +/- 2.42   0.630% *  0.0471% (0.30  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    LEU   98  13.85 +/- 2.98   0.683% *  0.0426% (0.27  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QB    LEU   98  16.07 +/- 3.80   0.267% *  0.1002% (0.63  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QB    LEU   98  18.25 +/- 3.69   0.197% *  0.1237% (0.78  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QB    LEU   98  20.01 +/- 2.77   0.135% *  0.1237% (0.78  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QB    LEU   98  21.23 +/- 2.83   0.119% *  0.0892% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.267, support = 3.85, residual support = 17.5:
          HN    LYS+  99 - QB    LEU   98   3.07 +/- 0.38  86.818% * 97.3546% (0.27   3.85  17.51) =  99.912%  kept
          HN    ASN   35 - QB    LEU   98  12.93 +/- 3.74   2.608% *  1.3688% (0.72   0.02   0.02) =   0.042%
          HE1   HIS  122 - QB    LEU   98  12.62 +/- 5.67   6.235% *  0.4086% (0.22   0.02   0.02) =   0.030%
          HN    GLU-  14 - QB    LEU   98  18.92 +/- 4.86   3.699% *  0.2529% (0.13   0.02   0.02) =   0.011%
          HN    ALA   12 - QB    LEU   98  23.80 +/- 5.18   0.640% *  0.6151% (0.33   0.02   0.02) =   0.005%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.71, residual support = 22.3:
          HN    VAL   41 - QB    LEU   98   6.85 +/- 4.00 100.000% *100.0000% (0.85   2.71  22.29) = 100.000%  kept
    Distance limit 4.04 A violated in 9 structures by 2.96 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.89, residual support = 76.9:
      O   HN    LEU   98 - QB    LEU   98   2.92 +/- 0.30 100.000% *100.0000% (0.85  10.0   4.89  76.88) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 76.9:
      O   HA    LEU   98 - HG    LEU   98   3.40 +/- 0.60 100.000% *100.0000% (0.69  10.0   4.04  76.88) = 100.000%  kept
    Distance limit 4.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.75, residual support = 76.9:
          HN    LEU   98 - HG    LEU   98   3.65 +/- 0.74 100.000% *100.0000% (0.98   3.75  76.88) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.379, support = 3.43, residual support = 25.0:
        T HA    ILE  103 - QD1   LEU   98   3.20 +/- 0.41  62.772% * 27.0895% (0.25 10.00   4.01  30.11) =  74.825%  kept
        T HA    LEU  104 - QD1   LEU   98   6.62 +/- 0.52   7.972% * 71.2556% (0.76 10.00   1.72   9.76) =  24.997%  kept
          HA    ASP-  86 - QD1   LEU   98  10.76 +/- 1.72   2.142% *  1.2713% (1.00  1.00   0.23   0.02) =   0.120%  kept
          HB    THR   77 - QD1   LEU   98  13.12 +/- 4.00  10.895% *  0.0371% (0.34  1.00   0.02   0.02) =   0.018%
          HA    GLU-  14 - QD1   LEU   98  17.75 +/- 4.66   3.064% *  0.1084% (1.00  1.00   0.02   0.02) =   0.015%
          HA    ASP-  44 - QD1   LEU   98   8.93 +/- 2.27   5.818% *  0.0447% (0.41  1.00   0.02   0.02) =   0.011%
          HA    SER   85 - QD1   LEU   98  12.10 +/- 2.42   6.292% *  0.0371% (0.34  1.00   0.02   0.02) =   0.010%
          HA    ALA   12 - QD1   LEU   98  22.26 +/- 4.91   0.608% *  0.1077% (0.99  1.00   0.02   0.02) =   0.003%
          HA    MET   11 - QD1   LEU   98  24.11 +/- 5.03   0.437% *  0.0487% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.718, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98  11.94 +/- 4.07  28.264% * 33.8723% (0.84   0.02   0.02) =  36.851%  kept
          QD    PHE   59 - QD1   LEU   98  12.06 +/- 2.39  26.410% * 33.8723% (0.84   0.02   0.02) =  34.433%  kept
          HE21  GLN   30 - QD1   LEU   98  12.41 +/- 3.30  24.740% * 19.7390% (0.49   0.02   0.02) =  18.797%  kept
          HH2   TRP   49 - QD1   LEU   98  16.62 +/- 4.94  20.586% * 12.5164% (0.31   0.02   0.02) =   9.918%  kept
    Distance limit 3.60 A violated in 20 structures by 5.00 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.686, support = 3.28, residual support = 18.8:
        T QD1   LEU  104 - HB2   LYS+  99   2.79 +/- 1.56  73.264% * 98.4796% (0.69 10.00   3.29  18.82) =  99.935%  kept
          QG1   VAL   83 - HB2   LYS+  99  14.06 +/- 2.79  15.308% *  0.1430% (1.00  1.00   0.02   0.02) =   0.030%
        T QG2   ILE   89 - HB2   LYS+  99  14.61 +/- 1.71   1.670% *  0.8117% (0.57 10.00   0.02   0.02) =   0.019%
        T QD1   LEU   73 - HB2   LYS+  99  12.28 +/- 3.00   2.161% *  0.2212% (0.15 10.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - HB2   LYS+  99  16.93 +/- 3.61   5.473% *  0.0643% (0.45  1.00   0.02   0.02) =   0.005%
        T QD1   LEU   63 - HB2   LYS+  99  12.77 +/- 3.49   1.367% *  0.2212% (0.15 10.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB2   LYS+  99  15.63 +/- 1.64   0.757% *  0.0589% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 1 structures by 0.29 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 2.27, residual support = 8.95:
        T QD2   LEU   40 - HB2   LYS+  99   6.21 +/- 5.64  43.429% * 91.4342% (0.95 10.00   2.31   9.29) =  96.024%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.83 +/- 0.72  20.632% *  6.6452% (1.00  1.00   1.38   0.53) =   3.316%  kept
          QD1   ILE  103 - HB2   LYS+  99   7.77 +/- 1.12  16.080% *  1.6068% (0.49  1.00   0.68   0.53) =   0.625%  kept
          QD1   LEU   67 - HB2   LYS+  99  11.86 +/- 4.51   8.059% *  0.0933% (0.97  1.00   0.02   0.02) =   0.018%
          HG3   LYS+  74 - HB2   LYS+  99  18.36 +/- 3.15   4.023% *  0.0958% (0.99  1.00   0.02   0.02) =   0.009%
          QD2   LEU   71 - HB2   LYS+  99  12.50 +/- 4.33   2.743% *  0.0586% (0.61  1.00   0.02   0.02) =   0.004%
          QG2   ILE  119 - HB2   LYS+  99  15.40 +/- 3.69   3.566% *  0.0298% (0.31  1.00   0.02   0.02) =   0.003%
          HB    VAL   75 - HB2   LYS+  99  15.41 +/- 2.10   1.466% *  0.0363% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 4 structures by 0.56 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.79, residual support = 174.6:
      O   HN    LYS+  99 - HB2   LYS+  99   3.25 +/- 0.30  87.560% * 99.4797% (0.31  10.0   4.79 174.65) =  99.984%  kept
          HE1   HIS  122 - HB2   LYS+  99  13.37 +/- 7.25   7.892% *  0.0804% (0.25   1.0   0.02   0.02) =   0.007%
          HN    ASN   35 - HB2   LYS+  99  14.57 +/- 5.12   2.353% *  0.2692% (0.84   1.0   0.02   0.02) =   0.007%
          HN    ALA   12 - HB2   LYS+  99  26.29 +/- 7.25   0.646% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   LYS+  99  20.88 +/- 6.57   1.549% *  0.0497% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.23, residual support = 174.6:
      O   HN    LYS+  99 - HA    LYS+  99   2.90 +/- 0.03  90.964% * 99.7964% (0.80  10.0   5.23 174.65) =  99.993%  kept
          HE1   HIS  122 - HA    LYS+  99  14.29 +/- 6.85   4.106% *  0.0905% (0.73   1.0   0.02   0.02) =   0.004%
          HN    GLU-  14 - HA    LYS+  99  19.92 +/- 6.61   2.627% *  0.0706% (0.57   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    LYS+  99  13.15 +/- 4.84   2.303% *  0.0425% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 39.7:
      O   HN    GLU- 100 - HA    LYS+  99   2.20 +/- 0.04 100.000% *100.0000% (0.84  10.0   6.83  39.71) = 100.000%  kept
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3095 (3.01, 1.33, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.855, support = 5.19, residual support = 183.1:
      O   QE    LYS+  99 - HG2   LYS+  99   2.60 +/- 0.51  45.780% * 79.1619% (0.99  10.0   5.33 174.65) =  81.384%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.73 +/- 0.52  40.218% * 20.5905% (0.26  10.0   4.58 220.04) =  18.597%  kept
          QE    LYS+  38 - HG2   LYS+  99  11.64 +/- 5.88   9.607% *  0.0756% (0.95   1.0   0.02   0.02) =   0.016%
          QE    LYS+ 102 - HG2   LYS+  99   9.30 +/- 1.08   1.038% *  0.0610% (0.76   1.0   0.02   1.38) =   0.001%
          QE    LYS+  99 - HG2   LYS+  38  11.36 +/- 6.21   1.458% *  0.0216% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG2   LYS+  99   9.33 +/- 0.76   1.027% *  0.0272% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  99  17.24 +/- 3.20   0.177% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  17.68 +/- 4.48   0.288% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  16.59 +/- 2.21   0.221% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  18.62 +/- 3.53   0.186% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.05, residual support = 174.4:
      O T HA    LYS+  99 - HG2   LYS+  99   2.78 +/- 0.42  52.832% * 98.2003% (0.84  10.0 10.00   7.06 174.65) =  99.832%  kept
          HA    LEU   40 - HG2   LYS+  99   8.85 +/- 6.79   8.387% *  0.8321% (0.57   1.0  1.00   0.25   9.29) =   0.134%  kept
          HA    ASN   35 - HG2   LYS+  38   4.41 +/- 1.64  25.379% *  0.0303% (0.26   1.0  1.00   0.02   0.02) =   0.015%
        T HA    LYS+  99 - HG2   LYS+  38  13.36 +/- 5.68   1.524% *  0.2676% (0.23   1.0 10.00   0.02   0.02) =   0.008%
          HA    ASN   35 - HG2   LYS+  99  12.99 +/- 6.44   2.664% *  0.1112% (0.95   1.0  1.00   0.02   0.02) =   0.006%
          HA    LEU   40 - HG2   LYS+  38   8.00 +/- 0.73   3.221% *  0.0181% (0.15   1.0  1.00   0.02   0.78) =   0.001%
          HA    SER   13 - HG2   LYS+  99  21.99 +/- 7.95   1.187% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG2   LYS+  99  20.48 +/- 7.05   0.383% *  0.1173% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG2   LYS+  38  24.69 +/- 8.01   0.890% *  0.0320% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   LYS+  38  14.53 +/- 3.07   1.682% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  18.06 +/- 5.86   0.457% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  23.43 +/- 2.58   0.107% *  0.1135% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  21.35 +/- 4.27   0.166% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  17.56 +/- 4.11   0.636% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  25.20 +/- 2.42   0.095% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.15 +/- 3.31   0.095% *  0.0309% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  23.85 +/- 4.46   0.217% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.96 +/- 3.86   0.077% *  0.0156% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.132, support = 4.65, residual support = 17.2:
          HA    SER   37 - HA    LYS+  38   5.20 +/- 0.06  24.610% * 42.9021% (0.05  1.00   5.54  20.57) =  83.374%  kept
          HA    LEU   40 - HA    LYS+  38   6.20 +/- 0.36  15.104% *  4.6314% (0.05  1.00   0.57   0.78) =   5.524%  kept
          HA    LEU   40 - HA    GLU- 100   9.72 +/- 6.26  17.352% *  2.6852% (0.80  1.00   0.02   0.02) =   3.679%  kept
          HA    SER   13 - HA    GLU- 100  21.97 +/- 8.47   9.538% *  3.1722% (0.95  1.00   0.02   0.02) =   2.389%  kept
          HA    SER   37 - HA    GLU- 100  14.14 +/- 7.47   8.107% *  2.5628% (0.76  1.00   0.02   0.02) =   1.641%  kept
          HA    GLN   17 - HA    GLU- 100  19.03 +/- 6.23   6.186% *  2.5628% (0.76  1.00   0.02   0.02) =   1.252%  kept
        T HA    PRO   58 - HA    GLU- 100  23.87 +/- 3.68   0.366% * 30.9557% (0.92 10.00   0.02   0.02) =   0.896%  kept
          HA    GLU-  15 - HA    GLU- 100  18.33 +/- 6.44   3.190% *  3.1722% (0.95  1.00   0.02   0.02) =   0.799%  kept
          HA    VAL   42 - HA    GLU- 100  12.12 +/- 3.15   2.584% *  0.7466% (0.22  1.00   0.02   0.02) =   0.152%  kept
          HA    THR   46 - HA    GLU- 100  22.53 +/- 2.45   0.407% *  2.8010% (0.84  1.00   0.02   0.02) =   0.090%
        T HA    PRO   58 - HA    LYS+  38  22.36 +/- 3.94   0.515% *  1.8705% (0.06 10.00   0.02   0.02) =   0.076%
          HA    GLU-  15 - HA    LYS+  38  14.00 +/- 2.86   2.638% *  0.1917% (0.06  1.00   0.02   0.02) =   0.040%
          HA    LEU  123 - HA    GLU- 100  23.72 +/- 6.70   0.421% *  0.6636% (0.20  1.00   0.02   0.02) =   0.022%
          HA    SER   13 - HA    LYS+  38  17.26 +/- 3.63   1.324% *  0.1917% (0.06  1.00   0.02   0.02) =   0.020%
          HA    GLN   17 - HA    LYS+  38  15.88 +/- 3.03   1.226% *  0.1549% (0.05  1.00   0.02   0.02) =   0.015%
          HA    LEU  123 - HA    LYS+  38  23.31 +/- 8.07   3.759% *  0.0401% (0.01  1.00   0.02   0.02) =   0.012%
          HA    ILE   56 - HA    GLU- 100  25.93 +/- 2.18   0.218% *  0.4538% (0.14  1.00   0.02   0.02) =   0.008%
          HA    VAL   42 - HA    LYS+  38  12.33 +/- 0.69   1.886% *  0.0451% (0.01  1.00   0.02   0.02) =   0.007%
          HA    THR   46 - HA    LYS+  38  23.50 +/- 2.08   0.320% *  0.1693% (0.05  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HA    LYS+  38  25.58 +/- 2.79   0.251% *  0.0274% (0.01  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.80 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   3.13 +/- 0.51  93.409% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38  12.96 +/- 5.98   6.591% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.38, residual support = 75.7:
      O   HN    GLU- 100 - HA    GLU- 100   2.24 +/- 0.10  92.379% * 99.9940% (0.84  10.0   6.38  75.70) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38  11.04 +/- 6.40   7.621% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3100 (4.00, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 0.825, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  16.37 +/- 5.75   8.111% * 28.3278% (1.00 10.00   0.02   0.02) =  32.012%  kept
        T HA    GLU-  29 - HB2   GLU- 100  18.44 +/- 4.95   7.145% * 27.8286% (0.98 10.00   0.02   0.02) =  27.700%  kept
        T HA    GLN   32 - HB2   GLU- 100  15.55 +/- 5.67  14.153% *  8.7627% (0.31 10.00   0.02   0.02) =  17.278%  kept
        T HA    GLN  116 - HB2   GLU- 100  24.66 +/- 2.92   2.360% * 23.7140% (0.84 10.00   0.02   0.02) =   7.798%  kept
          HA    VAL   70 - HB2   GLU- 100  15.59 +/- 5.51  13.750% *  2.3714% (0.84  1.00   0.02   0.02) =   4.543%  kept
          HA    VAL   18 - HB2   GLU- 100  18.78 +/- 4.87  11.055% *  2.7399% (0.97  1.00   0.02   0.02) =   4.220%  kept
          HB2   SER   82 - HB2   GLU- 100  22.75 +/- 3.99   7.544% *  2.6208% (0.92  1.00   0.02   0.02) =   2.754%  kept
          HB2   SER   37 - HB2   GLU- 100  14.40 +/- 7.47  20.483% *  0.5618% (0.20  1.00   0.02   0.02) =   1.603%  kept
          HA    ALA   88 - HB2   GLU- 100  21.68 +/- 3.40   8.655% *  0.9684% (0.34  1.00   0.02   0.02) =   1.168%  kept
          HA    SER   48 - HB2   GLU- 100  27.06 +/- 3.77   2.955% *  1.6074% (0.57  1.00   0.02   0.02) =   0.662%  kept
          HD2   PRO   52 - HB2   GLU- 100  28.59 +/- 3.92   3.789% *  0.4972% (0.18  1.00   0.02   0.02) =   0.262%  kept
    Distance limit 3.44 A violated in 19 structures by 5.59 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.26, residual support = 39.6:
          HG2   LYS+  99 - HG2   GLU- 100   3.24 +/- 1.15  61.470% * 97.4940% (0.45   5.27  39.71) =  99.756%  kept
          HG2   LYS+  38 - HG2   GLU- 100  12.41 +/- 7.94  25.556% *  0.4669% (0.57   0.02   0.02) =   0.199%  kept
          QG2   THR   23 - HG2   GLU- 100  19.96 +/- 5.43  10.352% *  0.1632% (0.20   0.02   0.02) =   0.028%
          QB    ALA   88 - HG2   GLU- 100  18.43 +/- 3.28   0.622% *  0.7396% (0.90   0.02   0.02) =   0.008%
          QG2   THR   77 - HG2   GLU- 100  18.88 +/- 3.42   0.397% *  0.8083% (0.98   0.02   0.02) =   0.005%
          HB2   LEU   31 - HG2   GLU- 100  14.79 +/- 4.21   1.511% *  0.1444% (0.18   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HG2   GLU- 100  28.76 +/- 3.49   0.092% *  0.1836% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.09, residual support = 39.6:
          HG2   LYS+  99 - HG3   GLU- 100   3.26 +/- 1.10  66.767% * 96.7978% (0.45   4.10  39.71) =  99.716%  kept
          HG2   LYS+  38 - HG3   GLU- 100  12.86 +/- 7.94  27.287% *  0.5966% (0.57   0.02   0.02) =   0.251%  kept
          QB    ALA   88 - HG3   GLU- 100  18.35 +/- 3.19   0.835% *  0.9450% (0.90   0.02   0.02) =   0.012%
          HB2   LEU   31 - HG3   GLU- 100  15.05 +/- 4.48   2.481% *  0.1845% (0.18   0.02   0.02) =   0.007%
          QG2   THR   23 - HG3   GLU- 100  19.98 +/- 5.47   2.096% *  0.2085% (0.20   0.02   0.02) =   0.007%
          QG2   THR   77 - HG3   GLU- 100  18.68 +/- 3.41   0.420% *  1.0329% (0.98   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HG3   GLU- 100  28.44 +/- 3.53   0.113% *  0.2346% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.7:
      O   HA    GLU- 100 - HG3   GLU- 100   3.34 +/- 0.54  83.856% * 99.7364% (1.00  10.0   4.46  75.70) =  99.995%  kept
          HA    LYS+  38 - HG3   GLU- 100  12.01 +/- 7.53  14.822% *  0.0198% (0.20   1.0   0.02   0.02) =   0.004%
          HA    VAL   83 - HG3   GLU- 100  20.35 +/- 3.14   0.763% *  0.1000% (1.00   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HG3   GLU- 100  25.57 +/- 3.45   0.292% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  26.49 +/- 3.32   0.266% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.29, residual support = 75.7:
          HN    GLU- 100 - HG3   GLU- 100   3.55 +/- 0.49 100.000% *100.0000% (0.97   4.29  75.70) = 100.000%  kept
    Distance limit 4.10 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 = 6.48, residual support = 75.7:
          HN    GLU- 100 - HG2   GLU- 100   3.18 +/- 0.74 100.000% *100.0000% (0.84   6.48  75.70) = 100.000%  kept
    Distance limit 4.20 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.81, residual support = 160.2:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.54 +/- 0.18  89.154% * 99.6342% (1.00  10.0   4.81 160.16) =  99.995%  kept
          HN    LYS+ 102 - HB    VAL   41  10.88 +/- 4.31   3.011% *  0.0448% (0.45   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HB    VAL   41   8.25 +/- 0.77   3.493% *  0.0272% (0.27   1.0   0.02   0.30) =   0.001%
          HD1   TRP   87 - QB    LYS+ 102  14.08 +/- 2.56   1.006% *  0.0646% (0.65   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - QB    LYS+ 102  16.70 +/- 4.46   0.559% *  0.0964% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB    VAL   41  11.17 +/- 1.31   1.199% *  0.0433% (0.43   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - QB    LYS+ 102  14.93 +/- 4.16   0.709% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  13.17 +/- 2.67   0.869% *  0.0290% (0.29   1.0   0.02   0.37) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 23.5:
          HN    ILE  103 - QB    LYS+ 102   2.90 +/- 0.31  93.447% * 98.9470% (1.00   5.46  23.49) =  99.989%  kept
          HN    ILE  103 - HB    VAL   41  11.32 +/- 3.50   3.380% *  0.1628% (0.45   0.02   0.02) =   0.006%
          HN    GLN   90 - QB    LYS+ 102  17.44 +/- 2.22   0.516% *  0.3428% (0.95   0.02   0.02) =   0.002%
          HN    GLN   90 - HB    VAL   41  17.08 +/- 1.75   0.551% *  0.1540% (0.43   0.02   0.02) =   0.001%
          HN    GLY  109 - QB    LYS+ 102  17.94 +/- 0.81   0.434% *  0.1907% (0.53   0.02   0.02) =   0.001%
          HN    SER   82 - QB    LYS+ 102  19.31 +/- 4.13   0.621% *  0.0807% (0.22   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    VAL   41  18.89 +/- 1.64   0.415% *  0.0857% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  18.09 +/- 3.18   0.635% *  0.0363% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 4.55, residual support = 159.7:
          HN    LYS+ 102 - HG2   LYS+ 102   3.47 +/- 0.44  89.743% * 95.7024% (0.73   4.57 160.16) =  99.710%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.69 +/- 1.29   6.424% *  3.7786% (0.38   0.35   0.02) =   0.282%  kept
          HN    GLU-  36 - HG2   LYS+ 102  18.65 +/- 5.46   1.303% *  0.3037% (0.53   0.02   0.02) =   0.005%
          HN    THR   39 - HG2   LYS+ 102  17.02 +/- 5.08   1.392% *  0.1011% (0.18   0.02   0.02) =   0.002%
          HD1   TRP   87 - HG2   LYS+ 102  16.52 +/- 2.54   1.138% *  0.1142% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.636, support = 0.02, residual support = 0.0224:
        T QB    SER   85 - HA    ILE  103  15.77 +/- 2.37   5.665% * 19.9520% (0.90 10.00   0.02   0.02) =  25.703%  kept
        T QB    SER   48 - HA    ILE  103  19.84 +/- 3.95   3.725% * 19.2979% (0.87 10.00   0.02   0.02) =  16.350%  kept
        T QB    SER  117 - HA    ILE  103  15.43 +/- 3.32   8.633% *  7.5887% (0.34 10.00   0.02   0.02) =  14.899%  kept
        T HA2   GLY   51 - HA    ILE  103  24.59 +/- 4.13   2.703% * 13.4936% (0.61 10.00   0.02   0.02) =   8.296%  kept
        T QB    SER   48 - HA    THR   39  22.40 +/- 4.81   3.710% *  6.3756% (0.29 10.00   0.02   0.02) =   5.380%  kept
        T HD2   PRO   52 - HA    ILE  103  22.35 +/- 3.29   3.968% *  5.5474% (0.25 10.00   0.02   0.02) =   5.006%  kept
          HA    LYS+ 121 - HA    ILE  103  15.88 +/- 6.21   9.935% *  1.5282% (0.69  1.00   0.02   0.02) =   3.453%  kept
          HB    THR   94 - HA    ILE  103  13.23 +/- 0.88   8.450% *  1.7002% (0.76  1.00   0.02   0.02) =   3.267%  kept
        T QB    SER   85 - HA    THR   39  22.77 +/- 2.30   1.927% *  6.5917% (0.30 10.00   0.02   0.02) =   2.889%  kept
          HA2   GLY   16 - HA    ILE  103  21.01 +/- 4.19   5.557% *  1.9952% (0.90  1.00   0.02   0.02) =   2.521%  kept
          HA2   GLY   16 - HA    THR   39  13.30 +/- 5.39  15.382% *  0.6592% (0.30  1.00   0.02   0.12) =   2.306%  kept
          HA    ALA  120 - HA    ILE  103  18.57 +/- 4.54   4.400% *  2.2050% (0.99  1.00   0.02   0.02) =   2.207%  kept
        T HA2   GLY   51 - HA    THR   39  27.25 +/- 4.99   1.745% *  4.4580% (0.20 10.00   0.02   0.02) =   1.769%  kept
          HA    LYS+  65 - HA    ILE  103  18.59 +/- 2.59   3.995% *  1.8582% (0.84  1.00   0.02   0.02) =   1.688%  kept
        T QB    SER  117 - HA    THR   39  22.14 +/- 3.79   2.378% *  2.5072% (0.11 10.00   0.02   0.02) =   1.356%  kept
          HA    LYS+  65 - HA    THR   39  15.17 +/- 1.74   5.803% *  0.6139% (0.28  1.00   0.02   0.02) =   0.810%  kept
        T HD2   PRO   52 - HA    THR   39  25.98 +/- 3.92   1.651% *  1.8327% (0.08 10.00   0.02   0.02) =   0.688%  kept
          HA    ALA  120 - HA    THR   39  22.69 +/- 6.13   3.682% *  0.7285% (0.33  1.00   0.02   0.02) =   0.610%  kept
          HA    LYS+ 121 - HA    THR   39  21.33 +/- 6.25   4.165% *  0.5049% (0.23  1.00   0.02   0.02) =   0.478%  kept
          HB    THR   94 - HA    THR   39  20.04 +/- 1.05   2.527% *  0.5617% (0.25  1.00   0.02   0.02) =   0.323%  kept
    Distance limit 3.17 A violated in 20 structures by 5.64 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.58, residual support = 39.4:
      O   HN    LEU  104 - HA    ILE  103   2.36 +/- 0.22  95.891% * 99.8797% (0.92  10.0   6.58  39.44) =  99.999%  kept
          HN    PHE   72 - HA    THR   39   9.26 +/- 1.65   3.049% *  0.0217% (0.20   1.0   0.02   0.02) =   0.001%
          HN    PHE   72 - HA    ILE  103  15.04 +/- 2.05   0.585% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  15.40 +/- 3.92   0.475% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.35, support = 3.74, residual support = 35.9:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.03  75.120% * 71.1549% (0.33  10.0   3.72  36.87) =  92.973%  kept
          HN    LYS+ 102 - HA    ILE  103   5.00 +/- 0.20  14.493% * 27.8109% (0.65   1.0   3.96  23.49) =   7.011%  kept
          HD1   TRP   87 - HA    ILE  103  12.36 +/- 1.97   1.233% *  0.2168% (1.00   1.0   0.02   0.51) =   0.005%
          HN    GLU-  36 - HA    THR   39   8.26 +/- 0.60   3.532% *  0.0600% (0.28   1.0   0.02   0.96) =   0.004%
          HN    THR   39 - HA    ILE  103  15.54 +/- 3.67   0.649% *  0.2154% (0.99   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    ILE  103  18.45 +/- 4.47   0.953% *  0.1058% (0.49   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    ILE  103  18.01 +/- 3.76   0.446% *  0.1815% (0.84   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    THR   39  14.57 +/- 5.35   1.173% *  0.0464% (0.21   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    THR   39  19.99 +/- 2.48   0.266% *  0.0716% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.08 +/- 1.79   0.408% *  0.0430% (0.20   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.12 +/- 1.58   0.477% *  0.0349% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  17.27 +/- 2.84   0.484% *  0.0335% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  17.42 +/- 3.39   0.635% *  0.0111% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  24.95 +/- 2.11   0.130% *  0.0142% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.01, residual support = 30.1:
        T QD1   LEU   98 - HA    ILE  103   3.20 +/- 0.41  88.889% * 99.6453% (0.41 10.00   4.01  30.11) =  99.984%  kept
          QG2   ILE   19 - HA    ILE  103  14.78 +/- 3.50   3.783% *  0.2418% (1.00  1.00   0.02   0.02) =   0.010%
          QG2   ILE   19 - HA    THR   39  10.94 +/- 2.48   4.714% *  0.0799% (0.33  1.00   0.02   0.02) =   0.004%
          QD1   LEU   98 - HA    THR   39  11.87 +/- 3.24   2.614% *  0.0329% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 2.76, residual support = 8.08:
          HN    ASP- 105 - QG2   ILE  103   2.69 +/- 0.64  84.354% * 28.5099% (0.38   2.59   3.49) =  77.050%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.43 +/- 0.22  10.084% * 70.9629% (0.73   3.33  23.49) =  22.926%  kept
          HD1   TRP   87 - QG2   ILE  103   9.50 +/- 2.15   4.058% *  0.1160% (0.20   0.02   0.51) =   0.015%
          HN    GLU-  36 - QG2   ILE  103  16.93 +/- 2.84   0.632% *  0.3085% (0.53   0.02   0.02) =   0.006%
          HN    THR   39 - QG2   ILE  103  14.82 +/- 2.63   0.872% *  0.1027% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.58, residual support = 39.4:
          HN    LEU  104 - QG2   ILE  103   2.26 +/- 0.53  99.312% * 99.9407% (0.90   6.58  39.44) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.53 +/- 1.59   0.688% *  0.0593% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.76, residual support = 139.0:
      O   HN    ILE  103 - HB    ILE  103   2.35 +/- 0.29  98.702% * 99.8308% (1.00  10.0   6.76 139.04) =  99.999%  kept
          HN    GLN   90 - HB    ILE  103  15.24 +/- 2.14   0.529% *  0.0944% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    ILE  103  15.35 +/- 1.40   0.410% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  18.70 +/- 3.58   0.359% *  0.0222% (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 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.216, support = 5.94, residual support = 135.2:
      O T HA    ILE  103 - HG12  ILE  103   2.35 +/- 0.22  91.202% * 56.1969% (0.20  10.0 10.00   5.98 139.04) =  96.131%  kept
          HA    LEU  104 - HG12  ILE  103   6.36 +/- 0.13   4.811% * 42.7826% (0.61   1.0  1.00   4.97  39.44) =   3.861%  kept
          HA    ASP-  86 - HG12  ILE  103  13.22 +/- 1.91   0.584% *  0.2249% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HG12  ILE  103  16.76 +/- 4.56   1.356% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HG12  ILE  103  11.87 +/- 2.22   1.026% *  0.0927% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  14 - HG12  ILE  103  23.15 +/- 5.52   0.246% *  0.2249% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HG12  ILE  103  14.76 +/- 2.42   0.616% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HG12  ILE  103  28.54 +/- 5.99   0.089% *  0.2234% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  30.73 +/- 6.24   0.070% *  0.1010% (0.36   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.93, residual support = 139.0:
          HN    ILE  103 - HG12  ILE  103   3.10 +/- 0.58  96.586% * 99.5135% (0.80   6.93 139.04) =  99.994%  kept
          HN    GLN   90 - HG12  ILE  103  14.53 +/- 2.05   1.354% *  0.2716% (0.76   0.02   0.02) =   0.004%
          HN    GLY  109 - HG12  ILE  103  15.53 +/- 1.59   1.074% *  0.1510% (0.42   0.02   0.02) =   0.002%
          HN    SER   82 - HG12  ILE  103  17.30 +/- 3.13   0.985% *  0.0639% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 139.0:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  98.360% * 99.2748% (0.58  10.0 10.00   4.30 139.04) =  99.998%  kept
          QG2   THR   94 - HG12  ILE  103   9.29 +/- 1.56   0.824% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   71 - HG12  ILE  103  16.76 +/- 3.33   0.156% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  103  10.67 +/- 1.39   0.507% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  20.91 +/- 2.43   0.072% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  20.71 +/- 3.07   0.080% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.587, support = 5.02, residual support = 139.0:
      O T QD1   ILE  103 - HG12  ILE  103   2.14 +/- 0.02  66.480% * 32.5765% (0.39  10.0 10.00   4.62 139.04) =  51.831%  kept
      O T QG2   ILE  103 - HG12  ILE  103   2.85 +/- 0.25  30.136% * 66.7776% (0.80  10.0 10.00   5.45 139.04) =  48.162%  kept
        T QD2   LEU   71 - HG12  ILE  103  14.50 +/- 2.81   0.351% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HG12  ILE  103   9.17 +/- 3.19   1.598% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HG12  ILE  103  13.35 +/- 2.80   0.435% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  103  17.17 +/- 3.90   0.381% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG12  ILE  103  13.78 +/- 2.51   0.401% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.81 +/- 2.84   0.218% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.48, residual support = 30.1:
          QD1   LEU   98 - HG12  ILE  103   2.30 +/- 0.45  98.812% * 99.7373% (0.72   5.48  30.11) =  99.997%  kept
          QG2   ILE   19 - HG12  ILE  103  14.85 +/- 3.56   1.188% *  0.2627% (0.52   0.02   0.02) =   0.003%
    Distance limit 3.76 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 = 0.734, support = 4.1, residual support = 139.0:
      O   QD1   ILE  103 - HG13  ILE  103   2.14 +/- 0.02  53.414% * 82.5087% (0.84  10.0   3.97 139.04) =  84.731%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.33 +/- 0.40  45.906% * 17.2996% (0.18  10.0   4.81 139.04) =  15.268%  kept
          QD2   LEU   71 - HG13  ILE  103  14.96 +/- 2.79   0.259% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  15.59 +/- 2.50   0.172% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.24 +/- 3.78   0.249% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3125 (0.70, 1.16, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.2, residual support = 30.1:
          QD1   LEU   98 - HG13  ILE  103   3.15 +/- 0.45  96.939% * 99.3490% (0.90   2.20  30.11) =  99.979%  kept
          QG2   ILE   19 - HG13  ILE  103  15.19 +/- 3.51   3.061% *  0.6510% (0.65   0.02   0.02) =   0.021%
    Distance limit 3.64 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 = 0.676, support = 0.02, residual support = 0.02:
          HH2   TRP   49 - QD1   ILE  103  16.72 +/- 6.05  22.661% * 34.7918% (0.89   0.02   0.02) =  32.847%  kept
          HE21  GLN   30 - QD1   ILE  103  15.12 +/- 3.10  20.272% * 30.1124% (0.77   0.02   0.02) =  25.432%  kept
          QD    PHE   59 - QD1   ILE  103  13.10 +/- 2.30  29.269% * 17.5479% (0.45   0.02   0.02) =  21.398%  kept
          HD1   TRP   27 - QD1   ILE  103  14.09 +/- 4.35  27.798% * 17.5479% (0.45   0.02   0.02) =  20.323%  kept
    Distance limit 4.07 A violated in 18 structures by 5.60 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.549, support = 0.384, residual support = 0.501:
          HE3   TRP   87 - QD1   ILE  103   6.66 +/- 2.90  52.120% * 59.3841% (0.52   0.44   0.51) =  80.908%  kept
          HN    TRP   87 - QD1   ILE  103   9.32 +/- 1.94  22.033% * 30.7190% (0.67   0.18   0.51) =  17.693%  kept
          HD21  ASN   69 - QD1   ILE  103  16.51 +/- 2.99   5.458% *  3.3081% (0.63   0.02   0.02) =   0.472%  kept
          HN    GLN   17 - QD1   ILE  103  18.26 +/- 3.91   3.847% *  4.1775% (0.80   0.02   0.02) =   0.420%  kept
          HN    ALA   91 - QD1   ILE  103  13.18 +/- 2.06  10.211% *  1.0722% (0.21   0.02   0.02) =   0.286%  kept
          HN    ALA   61 - QD1   ILE  103  15.78 +/- 2.30   6.332% *  1.3390% (0.26   0.02   0.02) =   0.222%  kept
    Distance limit 3.71 A violated in 13 structures by 2.56 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 = 5.69, residual support = 139.0:
          HN    ILE  103 - QD1   ILE  103   2.69 +/- 0.75  93.853% * 99.4079% (0.92   5.69 139.04) =  99.986%  kept
          HN    GLN   90 - QD1   ILE  103  11.89 +/- 2.01   2.782% *  0.3305% (0.87   0.02   0.02) =   0.010%
          HN    GLY  109 - QD1   ILE  103  12.86 +/- 1.41   1.551% *  0.1838% (0.49   0.02   0.02) =   0.003%
          HN    SER   82 - QD1   ILE  103  14.18 +/- 2.96   1.814% *  0.0778% (0.21   0.02   0.02) =   0.002%
    Distance limit 3.87 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   3.16 +/- 0.31  79.232% * 92.0141% (0.73  10.0   5.40 139.04) =  99.134%  kept
          HA    LEU  104 - HG13  ILE  103   6.70 +/- 0.26   8.730% *  7.1692% (0.28   1.0   4.07  39.44) =   0.851%  kept
          HB    THR   77 - HG13  ILE  103  16.30 +/- 4.41   3.586% *  0.1058% (0.84   1.0   0.02   0.02) =   0.005%
          HA    ASP-  44 - HG13  ILE  103  11.50 +/- 2.03   2.296% *  0.1136% (0.90   1.0   0.02   0.02) =   0.004%
          HA    ASP-  86 - HG13  ILE  103  12.57 +/- 2.35   1.834% *  0.0920% (0.73   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HG13  ILE  103  13.92 +/- 2.55   1.393% *  0.1058% (0.84   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HG13  ILE  103  17.77 +/- 4.28   1.066% *  0.0432% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HG13  ILE  103  23.90 +/- 5.15   0.493% *  0.0820% (0.65   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HG13  ILE  103  16.56 +/- 3.10   0.712% *  0.0352% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  29.33 +/- 5.65   0.193% *  0.0968% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  31.52 +/- 5.95   0.153% *  0.1170% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  23.43 +/- 3.89   0.313% *  0.0251% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 6.25, residual support = 139.0:
          HN    ILE  103 - HG13  ILE  103   3.76 +/- 0.48  93.245% * 99.4607% (1.00   6.25 139.04) =  99.986%  kept
          HN    GLN   90 - HG13  ILE  103  13.55 +/- 2.24   2.630% *  0.3010% (0.95   0.02   0.02) =   0.009%
          HN    GLY  109 - HG13  ILE  103  14.50 +/- 1.90   2.137% *  0.1674% (0.53   0.02   0.02) =   0.004%
          HN    SER   82 - HG13  ILE  103  16.84 +/- 2.90   1.987% *  0.0708% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.49, residual support = 139.0:
          HN    ILE  103 - QG2   ILE  103   3.67 +/- 0.11  90.687% * 99.2544% (0.69   6.49 139.04) =  99.973%  kept
          HN    GLY  109 - QG2   ILE  103  11.27 +/- 1.00   3.363% *  0.4297% (0.97   0.02   0.02) =   0.016%
          HN    GLN   90 - QG2   ILE  103  11.68 +/- 1.62   3.356% *  0.2167% (0.49   0.02   0.02) =   0.008%
          HE1   HIS   22 - QG2   ILE  103  20.03 +/- 4.35   2.594% *  0.0991% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.63 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 23.5:
          HA    LYS+ 102 - HB    ILE  103   4.56 +/- 0.17  93.539% * 98.7665% (0.38   4.78  23.49) =  99.943%  kept
          HA    ALA   20 - HB    ILE  103  20.73 +/- 4.59   4.840% *  1.0157% (0.92   0.02   0.02) =   0.053%
          HA    LEU   71 - HB    ILE  103  18.39 +/- 2.11   1.621% *  0.2178% (0.20   0.02   0.02) =   0.004%
    Distance limit 4.14 A violated in 0 structures by 0.42 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.62, residual support = 16.0:
        T HB2   PHE   97 - HB2   LEU  104   3.71 +/- 1.27  57.843% * 94.3281% (0.82 10.00   4.67  16.23) =  98.534%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.41 +/- 1.36  14.522% *  5.4826% (0.78  1.00   1.23   0.02) =   1.438%  kept
          HB3   TRP   27 - HB2   LEU  104  17.67 +/- 4.50  12.197% *  0.0921% (0.80  1.00   0.02   0.02) =   0.020%
          QE    LYS+  99 - HB2   LEU  104   7.20 +/- 0.97  14.559% *  0.0249% (0.22  1.00   0.02  18.82) =   0.007%
          HB3   PHE   60 - HB2   LEU  104  15.92 +/- 2.90   0.879% *  0.0724% (0.63  1.00   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 1 structures by 0.29 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.47, residual support = 36.9:
          HN    ASP- 105 - HB2   LEU  104   2.81 +/- 0.74  99.183% * 99.8774% (0.82   6.47  36.88) =  99.999%  kept
          HN    ALA   88 - HB2   LEU  104  17.12 +/- 2.13   0.817% *  0.1226% (0.33   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 217.2:
      O   HN    LEU  104 - HB2   LEU  104   2.95 +/- 0.42  99.101% * 99.7579% (0.36  10.0   7.38 217.23) =  99.998%  kept
          HN    PHE   72 - HB2   LEU  104  14.95 +/- 2.43   0.899% *  0.2421% (0.87   1.0   0.02   0.02) =   0.002%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.88, residual support = 217.2:
      O   HN    LEU  104 - HB3   LEU  104   3.71 +/- 0.14  98.584% * 99.9343% (0.71  10.0   6.88 217.23) =  99.999%  kept
          HN    PHE   72 - HB3   LEU  104  15.99 +/- 2.25   1.416% *  0.0657% (0.46   1.0   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.45, residual support = 217.2:
          HN    LEU  104 - HG    LEU  104   3.09 +/- 0.75  98.753% * 99.8238% (0.92   7.45 217.23) =  99.998%  kept
          HN    PHE   72 - HG    LEU  104  15.00 +/- 2.36   1.247% *  0.1762% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.12 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   4.09 +/- 1.03  69.324% * 96.7533% (0.98   1.70  18.82) =  99.500%  kept
          HE1   HIS  122 - HG    LEU  104  12.33 +/- 7.58  27.310% *  1.1563% (1.00   0.02   0.02) =   0.468%  kept
          HN    GLN   30 - HG    LEU  104  18.20 +/- 4.01   1.792% *  0.5196% (0.45   0.02   0.02) =   0.014%
          HN    GLU-  14 - HG    LEU  104  22.55 +/- 5.41   0.695% *  1.1359% (0.98   0.02   0.02) =   0.012%
          HN    ASP-  86 - HG    LEU  104  18.19 +/- 2.50   0.879% *  0.4349% (0.38   0.02   0.02) =   0.006%
    Distance limit 4.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.379, support = 6.66, residual support = 203.2:
          HN    LEU  104 - QD1   LEU  104   3.68 +/- 0.75  60.178% * 73.7255% (0.40   6.88 217.23) =  92.109%  kept
          HN    PHE   72 - QD1   LEU   73   6.34 +/- 0.72  15.466% * 21.7199% (0.18   4.54  43.24) =   6.974%  kept
          HN    PHE   72 - QD1   LEU   63   8.08 +/- 1.42  10.738% *  3.9556% (0.18   0.83  15.59) =   0.882%  kept
          HN    PHE   72 - QD1   LEU  104  11.88 +/- 2.63   2.430% *  0.5200% (0.96   0.02   0.02) =   0.026%
          HN    LEU  104 - QD1   LEU   73  12.51 +/- 3.52   7.906% *  0.0395% (0.07   0.02   0.02) =   0.006%
          HN    LEU  104 - QD1   LEU   63  12.15 +/- 2.69   3.282% *  0.0395% (0.07   0.02   0.02) =   0.003%
    Distance limit 3.97 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 3.27, residual support = 18.8:
        T HB2   LYS+  99 - QD1   LEU  104   2.79 +/- 1.56  65.345% * 96.7425% (0.40 10.00   3.29  18.82) =  99.624%  kept
        T HB    VAL   43 - QD1   LEU  104  10.08 +/- 2.53  14.826% *  1.2381% (0.51 10.00   0.02   0.02) =   0.289%  kept
          HB    VAL   43 - QD1   LEU   73   7.57 +/- 2.81  10.598% *  0.4021% (0.09  1.00   0.35   3.58) =   0.067%
        T HB    ILE   89 - QD1   LEU  104  14.39 +/- 1.85   0.596% *  1.0550% (0.43 10.00   0.02   0.02) =   0.010%
        T HB2   LYS+  99 - QD1   LEU   73  12.28 +/- 3.00   1.367% *  0.1782% (0.07 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+  99 - QD1   LEU   63  12.77 +/- 3.49   1.189% *  0.1782% (0.07 10.00   0.02   0.02) =   0.003%
          HB    VAL   43 - QD1   LEU   63   9.20 +/- 2.44   3.140% *  0.0228% (0.09  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD1   LEU  104  18.48 +/- 3.17   0.513% *  0.1055% (0.43  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QD1   LEU   63  13.35 +/- 2.62   0.827% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  12.98 +/- 2.60   0.715% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  14.52 +/- 2.42   0.486% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  16.34 +/- 2.18   0.398% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.873, support = 2.4, residual support = 19.4:
          HB2   LYS+  99 - QD2   LEU  104   2.75 +/- 1.04  53.508% * 82.4625% (0.90  1.00   2.38  18.82) =  96.537%  kept
          HB3   GLN   17 - QG2   VAL   18   4.83 +/- 0.96  18.064% *  6.1088% (0.04  1.00   4.13  50.34) =   2.414%  kept
        T HB    VAL   43 - QD2   LEU  104   9.68 +/- 2.12   3.923% *  7.4432% (0.97 10.00   0.02   0.02) =   0.639%  kept
          HB2   LYS+  99 - QG1   VAL   41   8.02 +/- 4.10   9.844% *  1.2734% (0.05  1.00   0.69   0.02) =   0.274%  kept
        T HB    VAL   43 - QG2   VAL   18  11.14 +/- 4.23   4.240% *  1.1437% (0.15 10.00   0.02   0.02) =   0.106%  kept
        T HB    VAL   43 - QG1   VAL   41   8.15 +/- 0.80   2.050% *  0.3998% (0.05 10.00   0.02   1.43) =   0.018%
          QD    LYS+  81 - QD2   LEU  104  17.94 +/- 3.31   0.369% *  0.7120% (0.92  1.00   0.02   0.02) =   0.006%
          HB2   LYS+  99 - QG2   VAL   18  14.78 +/- 3.57   0.857% *  0.1063% (0.14  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QD2   LEU  104  16.62 +/- 3.60   0.393% *  0.1923% (0.25  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QG1   VAL   41  11.92 +/- 3.71   6.086% *  0.0103% (0.01  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   18  16.64 +/- 3.88   0.337% *  0.1094% (0.14  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   41  17.19 +/- 2.84   0.329% *  0.0382% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.725, support = 3.48, residual support = 42.0:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  92.642% * 76.0629% (0.72  10.0 10.00   3.46  42.19) =  98.751%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.11 +/- 0.35   3.889% * 22.8511% (0.93   1.0  1.00   4.68  24.58) =   1.246%  kept
          HB    ILE  103 - HB2   ASP- 105   8.20 +/- 0.59   0.957% *  0.0684% (0.65   1.0  1.00   0.02   3.49) =   0.001%
        T HB2   MET   92 - HB2   ASP- 105  17.15 +/- 1.49   0.111% *  0.3735% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HB2   ASP- 105  15.30 +/- 5.12   1.109% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  17.44 +/- 3.05   0.258% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  13.96 +/- 3.05   0.261% *  0.0863% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  19.41 +/- 3.33   0.184% *  0.0961% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.41 +/- 3.42   0.167% *  0.0863% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  18.27 +/- 4.97   0.161% *  0.0644% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  20.34 +/- 3.39   0.086% *  0.0723% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.97 +/- 2.73   0.105% *  0.0524% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  20.33 +/- 2.94   0.070% *  0.0723% (0.69   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 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.65, residual support = 5.21:
        T QG2   THR  118 - HB2   ASP- 105   5.82 +/- 4.53 100.000% *100.0000% (0.54 10.00   1.65   5.21) = 100.000%  kept
    Distance limit 3.34 A violated in 7 structures by 2.75 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 2.36, residual support = 5.21:
        T QG2   THR  118 - HB3   ASP- 105   6.32 +/- 4.60 100.000% *100.0000% (0.57 10.00   2.36   5.21) = 100.000%  kept
    Distance limit 3.55 A violated in 9 structures by 2.98 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 4.67, residual support = 47.2:
          HB2   PHE   97 - HB2   ASP- 105   4.29 +/- 0.82  54.168% * 55.5344% (0.89   4.94  58.74) =  66.206%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.86 +/- 1.38  34.858% * 44.0145% (0.85   4.13  24.58) =  33.767%  kept
          QE    LYS+  99 - HB2   ASP- 105  10.71 +/- 1.76   7.034% *  0.0592% (0.24   0.02   0.39) =   0.009%
          HB3   TRP   27 - HB2   ASP- 105  18.69 +/- 3.21   1.868% *  0.2193% (0.87   0.02   0.02) =   0.009%
          HB3   PHE   60 - HB2   ASP- 105  14.05 +/- 2.26   2.073% *  0.1725% (0.69   0.02   0.02) =   0.008%
    Distance limit 4.00 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.8, support = 3.84, residual support = 53.7:
        T HB2   PHE   97 - HB3   ASP- 105   3.54 +/- 1.05  59.134% * 67.7091% (0.87 10.00   3.84  58.74) =  85.254%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.30 +/- 1.23  21.553% * 32.0903% (0.41 10.00   3.82  24.58) =  14.727%  kept
          QE    LYS+  99 - HB3   ASP- 105   9.71 +/- 1.79  10.581% *  0.0567% (0.73  1.00   0.02   0.39) =   0.013%
          HB3   TRP   27 - HB3   ASP- 105  18.12 +/- 3.33   2.858% *  0.0700% (0.90  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HB3   ASP- 105  10.52 +/- 1.84   3.283% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HB3   ASP- 105  17.55 +/- 2.69   0.995% *  0.0350% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   ASP- 105  13.99 +/- 2.56   1.596% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 42.2:
      O T HA    ASP- 105 - HB3   ASP- 105   2.95 +/- 0.15  98.451% * 99.8608% (0.87  10.0 10.00   3.25  42.19) =  99.999%  kept
          HA    LEU   80 - HB3   ASP- 105  20.24 +/- 3.74   0.764% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  23.38 +/- 3.97   0.372% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  22.74 +/- 4.07   0.413% *  0.0178% (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 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.65, residual support = 42.2:
      O   HN    ASP- 105 - HB3   ASP- 105   2.92 +/- 0.35  99.121% * 99.9603% (0.95  10.0   4.65  42.19) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  16.04 +/- 2.41   0.879% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.88, residual support = 24.6:
          HN    LYS+ 106 - HB3   ASP- 105   3.80 +/- 0.39  95.034% * 99.5475% (0.18   3.88  24.58) =  99.976%  kept
          HN    VAL   41 - HB3   ASP- 105  11.95 +/- 3.10   4.966% *  0.4525% (0.15   0.02   0.02) =   0.024%
    Distance limit 3.94 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.59, residual support = 58.7:
          QD    PHE   97 - HB2   ASP- 105   3.64 +/- 0.61  94.782% * 99.3474% (0.87   3.60  58.74) =  99.976%  kept
          HZ3   TRP   87 - HB2   ASP- 105  12.31 +/- 2.49   4.026% *  0.5193% (0.82   0.02   0.02) =   0.022%
          HE3   TRP   49 - HB2   ASP- 105  20.78 +/- 5.36   1.192% *  0.1333% (0.21   0.02   0.02) =   0.002%
    Distance limit 4.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.71, residual support = 42.2:
      O   HN    ASP- 105 - HB2   ASP- 105   3.67 +/- 0.25  98.232% * 99.9603% (0.89  10.0   4.71  42.19) =  99.999%  kept
          HN    ALA   88 - HB2   ASP- 105  15.78 +/- 2.69   1.768% *  0.0397% (0.36   1.0   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.82, residual support = 24.6:
          HN    LYS+ 106 - HB2   ASP- 105   2.85 +/- 0.35  98.256% * 99.5414% (0.17   3.82  24.58) =  99.992%  kept
          HN    VAL   41 - HB2   ASP- 105  12.87 +/- 2.78   1.744% *  0.4586% (0.15   0.02   0.02) =   0.008%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.07, residual support = 2.14:
        T HA    MET   96 - HA    LYS+ 106   3.00 +/- 0.69  98.587% * 99.9193% (0.87 10.00   1.07   2.14) =  99.999%  kept
          HA    PHE   72 - HA    LYS+ 106  14.50 +/- 2.05   1.413% *  0.0807% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.19, residual support = 11.9:
          QD    PHE   97 - HA    LYS+ 106   3.14 +/- 0.69  92.120% * 99.6026% (0.45   4.20  11.86) =  99.966%  kept
          HZ3   TRP   87 - HA    LYS+ 106   9.90 +/- 2.97   7.880% *  0.3974% (0.38   0.02   0.02) =   0.034%
    Distance limit 3.91 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.14, residual support = 11.8:
          HN    PHE   97 - HA    LYS+ 106   3.54 +/- 0.55  90.356% * 91.1590% (0.90   3.15  11.86) =  99.436%  kept
          HN    LEU  115 - HA    LYS+ 106  10.34 +/- 1.50   5.307% *  8.6617% (0.90   0.30   0.02) =   0.555%  kept
          HN    ASP- 113 - HA    LYS+ 106  13.42 +/- 1.72   4.337% *  0.1792% (0.28   0.02   0.02) =   0.009%
    Distance limit 3.77 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 134.7:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.87 +/- 0.04 100.000% *100.0000% (0.61  10.0   5.18 134.65) = 100.000%  kept
    Distance limit 3.60 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 = 26.6:
      O   HN    VAL  107 - HA    LYS+ 106   2.27 +/- 0.09  99.655% * 99.8992% (0.99  10.0   4.58  26.64) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  17.92 +/- 3.05   0.345% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 134.6:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.03 +/- 0.29  98.006% * 99.9120% (0.18  10.0   5.36 134.65) =  99.998%  kept
          HN    VAL   41 - QB    LYS+ 106  12.38 +/- 2.34   1.994% *  0.0880% (0.15   1.0   0.02   0.02) =   0.002%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.1, residual support = 26.6:
          HN    VAL  107 - QB    LYS+ 106   3.10 +/- 0.29  98.907% * 99.6057% (0.99   5.10  26.64) =  99.996%  kept
          HN    GLY   51 - QB    LYS+ 106  16.69 +/- 3.05   1.093% *  0.3943% (1.00   0.02   0.02) =   0.004%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.606, support = 5.94, residual support = 134.5:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.40 +/- 0.09  87.573% * 94.0497% (0.61  10.0 10.00   5.94 134.65) =  99.916%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.15 +/- 0.78   3.734% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.051%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.26 +/- 1.64   1.076% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+  65 - QB    LYS+ 106  17.17 +/- 2.40   0.344% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  33 - QB    LYS+ 106  19.24 +/- 2.01   0.188% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QB    LYS+ 106  10.57 +/- 1.99   1.303% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QB    LYS+ 106  11.02 +/- 4.73   2.006% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+ 106  14.35 +/- 3.27   0.879% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QB    LYS+ 106  13.38 +/- 1.36   0.616% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+ 106  15.47 +/- 2.07   0.441% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.72 +/- 1.24   1.162% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  14.50 +/- 2.61   0.553% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.82 +/- 3.66   0.124% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.7, residual support = 5.86:
          QG2   VAL  108 - QB    LYS+ 106   3.24 +/- 0.27  86.408% * 86.7133% (1.00   2.73   5.93) =  98.814%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.30 +/- 0.44   8.345% *  9.3086% (0.98   0.30   0.02) =   1.025%  kept
          QD1   ILE  119 - QB    LYS+ 106  10.45 +/- 1.86   3.142% *  3.7612% (0.76   0.15   0.02) =   0.156%  kept
          HG3   LYS+ 112 - QB    LYS+ 106  12.94 +/- 1.73   2.104% *  0.2169% (0.34   0.02   0.02) =   0.006%
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.56, residual support = 26.4:
          QG2   VAL  107 - QB    LYS+ 106   4.99 +/- 0.44  31.119% * 97.7195% (0.76   4.60  26.64) =  99.133%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.71 +/- 1.66  27.118% *  0.5552% (1.00   0.02   0.02) =   0.491%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  11.79 +/- 4.67   4.470% *  1.2886% (0.53   0.09   0.02) =   0.188%  kept
          QG2   THR   94 - QB    LYS+ 106   5.02 +/- 1.12  34.115% *  0.1547% (0.28   0.02   0.02) =   0.172%  kept
          HB3   LYS+ 112 - QB    LYS+ 106  13.51 +/- 1.49   2.229% *  0.1718% (0.31   0.02   0.02) =   0.012%
          QB    ALA   20 - QB    LYS+ 106  16.21 +/- 2.11   0.949% *  0.1101% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.64 A violated in 0 structures by 0.39 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.138, support = 5.08, residual support = 102.7:
          HN    LYS+  81 - QG    LYS+  81   2.79 +/- 0.61  81.647% * 57.1541% (0.13   5.18 104.99) =  97.860%  kept
          QE    PHE   95 - HG2   LYS+ 106   9.50 +/- 1.44   3.692% * 20.9202% (0.34   0.74   0.12) =   1.620%  kept
          HE3   TRP   27 - QG    LYS+  81  15.81 +/- 4.50   1.020% *  7.1222% (0.47   0.18   0.02) =   0.152%  kept
          HN    THR   23 - QG    LYS+  81  15.37 +/- 5.06   1.335% *  4.7105% (0.25   0.23   0.02) =   0.132%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.81 +/- 1.32   3.639% *  1.6248% (0.98   0.02   0.02) =   0.124%  kept
          HN    THR   23 - HG2   LYS+  33  12.99 +/- 1.12   1.233% *  0.8721% (0.53   0.02   0.02) =   0.023%
          HE3   TRP   27 - HG2   LYS+ 106  16.83 +/- 2.65   0.683% *  0.9854% (0.59   0.02   0.02) =   0.014%
          QD    PHE   55 - HG2   LYS+ 106  16.31 +/- 2.25   0.698% *  0.9510% (0.57   0.02   0.02) =   0.014%
          QD    PHE   55 - QG    LYS+  81  17.51 +/- 3.54   0.789% *  0.7507% (0.45   0.02   0.02) =   0.012%
          QE    PHE   95 - QG    LYS+  81  13.68 +/- 1.84   1.188% *  0.4493% (0.27   0.02   0.02) =   0.011%
          HN    LEU   67 - HG2   LYS+  33  15.88 +/- 3.44   1.458% *  0.3280% (0.20   0.02   0.02) =   0.010%
          QE    PHE   95 - HG2   LYS+  33  18.05 +/- 3.00   0.435% *  0.9384% (0.57   0.02   0.02) =   0.009%
          QD    PHE   55 - HG2   LYS+  33  24.20 +/- 3.61   0.198% *  1.5680% (0.95   0.02   0.02) =   0.007%
          HN    THR   23 - HG2   LYS+ 106  21.22 +/- 3.08   0.306% *  0.5289% (0.32   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+  33  22.37 +/- 5.26   0.339% *  0.4609% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+ 106  18.14 +/- 2.76   0.458% *  0.2795% (0.17   0.02   0.02) =   0.003%
          HN    LEU   67 - HG2   LYS+ 106  18.19 +/- 2.97   0.543% *  0.1989% (0.12   0.02   0.02) =   0.002%
          HN    LEU   67 - QG    LYS+  81  19.92 +/- 2.18   0.339% *  0.1571% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.61 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 = 0.274, support = 0.641, residual support = 1.26:
          HN    GLU-  79 - QG    LYS+  81   6.22 +/- 1.27  49.354% * 79.2867% (0.27   0.66   1.30) =  96.954%  kept
          HN    VAL   70 - HG2   LYS+  33  13.68 +/- 2.99  11.382% *  4.3138% (0.49   0.02   0.02) =   1.217%  kept
          HN    GLU-  79 - HG2   LYS+  33  20.17 +/- 3.99   5.001% *  5.0175% (0.57   0.02   0.02) =   0.622%  kept
          HN    THR   94 - HG2   LYS+ 106  10.66 +/- 1.45  14.709% *  1.0637% (0.12   0.02   0.02) =   0.388%  kept
          HN    GLU-  79 - HG2   LYS+ 106  17.74 +/- 3.06   3.777% *  3.0430% (0.34   0.02   0.02) =   0.285%  kept
          HN    THR   94 - QG    LYS+  81  11.73 +/- 2.27   9.781% *  0.8397% (0.09   0.02   0.02) =   0.203%  kept
          HN    VAL   70 - HG2   LYS+ 106  18.37 +/- 2.86   2.717% *  2.6162% (0.30   0.02   0.02) =   0.176%  kept
          HN    VAL   70 - QG    LYS+  81  21.34 +/- 1.83   1.674% *  2.0654% (0.23   0.02   0.02) =   0.086%
          HN    THR   94 - HG2   LYS+  33  21.02 +/- 1.77   1.604% *  1.7539% (0.20   0.02   0.02) =   0.070%
    Distance limit 4.00 A violated in 11 structures by 1.97 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.65, residual support = 134.7:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.93 +/- 0.57  97.026% * 99.8764% (0.18  10.0   5.65 134.65) =  99.999%  kept
          HA    LYS+ 106 - HG3   LYS+  65  17.36 +/- 2.47   0.842% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+ 102  13.05 +/- 1.47   1.692% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.46 +/- 2.03   0.439% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.21, residual support = 46.0:
        T HB2   PHE   95 - HB    VAL  107   2.30 +/- 0.55 100.000% *100.0000% (0.69 10.00   4.21  46.01) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 60.2:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.01  94.333% * 99.7352% (0.72  10.0 10.00   3.20  60.17) =  99.997%  kept
          HG2   LYS+ 121 - HB    VAL  107  11.74 +/- 4.20   1.293% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   8.50 +/- 2.65   3.164% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    VAL  107  10.99 +/- 1.43   0.814% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB    VAL  107  17.10 +/- 2.03   0.230% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.90 +/- 2.88   0.166% *  0.0176% (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 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.9, residual support = 60.2:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.02  95.124% * 99.5954% (0.71  10.0 10.00   3.90  60.17) =  99.998%  kept
          HD3   LYS+ 112 - HB    VAL  107  10.22 +/- 1.64   1.139% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   8.50 +/- 2.65   3.157% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   VAL   24 - HB    VAL  107  17.15 +/- 2.68   0.224% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  18.07 +/- 2.60   0.192% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.90 +/- 2.88   0.165% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.635, support = 0.688, residual support = 5.76:
          QD2   LEU  115 - HB    VAL  107   5.98 +/- 1.77  32.961% * 74.9403% (0.67   0.75   6.62) =  86.934%  kept
          QD2   LEU   63 - HB    VAL  107   9.13 +/- 3.28  17.003% * 16.8474% (0.33   0.35   0.02) =  10.082%  kept
          QD1   LEU   63 - HB    VAL  107   9.10 +/- 3.37  18.359% *  2.1220% (0.71   0.02   0.02) =   1.371%  kept
          QD1   LEU   73 - HB    VAL  107  13.20 +/- 3.14  11.036% *  2.1220% (0.71   0.02   0.02) =   0.824%  kept
          QD1   LEU  104 - HB    VAL  107  10.47 +/- 1.42   7.105% *  1.4871% (0.50   0.02   0.02) =   0.372%  kept
          QD2   LEU   80 - HB    VAL  107  15.54 +/- 2.09   3.245% *  1.9415% (0.65   0.02   0.02) =   0.222%  kept
          QG1   VAL   83 - HB    VAL  107  13.09 +/- 2.43  10.291% *  0.5398% (0.18   0.02   0.02) =   0.196%  kept
    Distance limit 4.01 A violated in 5 structures by 0.95 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.72, residual support = 46.0:
          QD    PHE   95 - HB    VAL  107   2.61 +/- 0.64  98.399% * 99.8279% (0.63   3.72  46.01) =  99.997%  kept
          HN    ALA   47 - HB    VAL  107  12.24 +/- 2.40   1.601% *  0.1721% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 1.73, residual support = 5.43:
          QD    PHE   97 - HB    VAL  107   5.75 +/- 1.01  84.503% * 99.0448% (0.33   1.74   5.44) =  99.823%  kept
          HZ3   TRP   87 - HB    VAL  107  12.85 +/- 2.40  15.497% *  0.9552% (0.27   0.02   0.02) =   0.177%  kept
    Distance limit 3.84 A violated in 10 structures by 1.87 A, kept.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 60.2:
      O   HN    VAL  107 - HB    VAL  107   2.48 +/- 0.29  99.345% * 99.8992% (0.72  10.0   3.33  60.17) =  99.999%  kept
          HN    GLY   51 - HB    VAL  107  15.54 +/- 2.22   0.655% *  0.1008% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 3.38 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 = 3.7, residual support = 46.0:
          HN    PHE   95 - HB    VAL  107   3.91 +/- 0.34 100.000% *100.0000% (0.47   3.70  46.01) = 100.000%  kept
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 4.31, residual support = 59.3:
      O   QG2   VAL  107 - QG1   VAL  107   2.07 +/- 0.04  81.332% * 89.7295% (0.99  10.0  1.00   4.36  60.17) =  98.600%  kept
        T HG13  ILE  119 - QG1   VAL  107   6.49 +/- 2.25  10.507% *  9.8296% (0.20   1.0 10.00   1.10   0.02) =   1.395%  kept
          HG2   LYS+ 121 - QG1   VAL  107   9.08 +/- 3.39   2.141% *  0.0874% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - QG1   VAL  107  10.25 +/- 1.07   0.768% *  0.0586% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - QG1   VAL  107  16.97 +/- 2.70   0.192% *  0.1585% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24   8.61 +/- 1.08   1.455% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  14.79 +/- 4.79   1.301% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  15.25 +/- 1.93   0.267% *  0.0586% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  14.67 +/- 2.09   0.280% *  0.0213% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  20.54 +/- 4.90   0.266% *  0.0208% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.50 +/- 0.49   1.225% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  18.52 +/- 4.09   0.267% *  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 = 60.2:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.02  84.614% * 99.1597% (0.65  10.0 10.00   3.90  60.17) =  99.993%  kept
          QG    GLU-  79 - QG2   VAL   24   9.84 +/- 4.35   4.158% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 112 - QG1   VAL  107   7.44 +/- 0.99   2.588% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG1   VAL  107   6.73 +/- 1.46   3.501% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG1   VAL  107   9.22 +/- 1.26   1.271% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG1   VAL  107  14.93 +/- 2.14   0.374% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL  107 - QG2   VAL   24  17.15 +/- 2.68   0.199% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL   24   9.94 +/- 0.87   0.890% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  17.79 +/- 3.66   0.314% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.57 +/- 2.08   0.124% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  16.98 +/- 4.77   1.143% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.71 +/- 1.30   0.184% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  13.64 +/- 3.27   0.505% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  21.73 +/- 3.31   0.135% *  0.0064% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.2, residual support = 60.2:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.01  90.513% * 99.2330% (0.65  10.0 10.00   3.20  60.17) =  99.983%  kept
        T QE    LYS+ 112 - QG2   VAL  107   7.11 +/- 1.11   3.317% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.014%
          HB3   PHE   45 - QG2   VAL  107   7.72 +/- 1.34   2.614% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG2   VAL  107  13.59 +/- 2.21   0.751% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   7.73 +/- 1.59   2.473% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL  107  19.27 +/- 1.46   0.131% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  16.72 +/- 1.16   0.201% *  0.0382% (0.25   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 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 0.982, residual support = 4.41:
        T QB    GLU- 114 - QG2   VAL  107   4.84 +/- 1.84  44.184% * 97.4494% (0.65 10.00   0.99   4.43) =  99.556%  kept
        T HB    ILE  119 - QG2   VAL  107   8.01 +/- 2.66  18.530% *  0.5349% (0.18 10.00   0.02   0.02) =   0.229%  kept
          HB2   LYS+ 111 - QG2   VAL  107   7.18 +/- 2.36  21.260% *  0.3027% (0.99  1.00   0.02   0.02) =   0.149%  kept
          HG2   PRO   68 - QG2   VAL  107  15.87 +/- 3.73   3.779% *  0.1487% (0.49  1.00   0.02   0.02) =   0.013%
          HB3   PRO   68 - QG2   VAL  107  16.78 +/- 3.12   2.272% *  0.2446% (0.80  1.00   0.02   0.02) =   0.013%
          HB2   GLN   17 - QG2   VAL  107  18.51 +/- 2.52   1.440% *  0.3054% (1.00  1.00   0.02   0.02) =   0.010%
          HB    ILE   19 - QG2   VAL  107  16.10 +/- 1.37   1.858% *  0.1729% (0.57  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - QG2   VAL  107  19.28 +/- 1.83   1.045% *  0.3054% (1.00  1.00   0.02   0.02) =   0.007%
          HB3   GLU-  25 - QG2   VAL  107  21.28 +/- 1.65   0.922% *  0.2889% (0.95  1.00   0.02   0.02) =   0.006%
          HG3   GLN   30 - QG2   VAL  107  17.10 +/- 1.66   1.481% *  0.1256% (0.41  1.00   0.02   0.02) =   0.004%
          HB3   GLU- 100 - QG2   VAL  107  17.26 +/- 1.18   1.560% *  0.0680% (0.22  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QG2   VAL  107  16.48 +/- 1.38   1.670% *  0.0535% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 2.99 A violated in 8 structures by 1.46 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.598, support = 1.4, residual support = 2.81:
          QD2   LEU  115 - QG1   VAL  107   4.44 +/- 1.56  16.283% * 17.9157% (0.92  1.00   2.64   6.62) =  32.687%  kept
        T QD1   LEU   63 - QG1   VAL  107   8.39 +/- 2.71   4.932% * 35.3654% (0.98 10.00   0.49   0.02) =  19.544%  kept
        T QD1   LEU   73 - QG2   VAL   24   6.25 +/- 1.44   9.465% * 18.1389% (0.23 10.00   1.06   1.36) =  19.239%  kept
        T QD1   LEU   63 - QG2   VAL   24  12.24 +/- 4.44   9.451% * 14.4117% (0.23 10.00   0.84   0.92) =  15.262%  kept
        T QD2   LEU   63 - QG2   VAL   24  12.23 +/- 3.90   7.382% *  6.6929% (0.11 10.00   0.85   0.92) =   5.536%  kept
          QD2   LEU   80 - QG2   VAL   24   8.08 +/- 6.19  17.120% *  2.1978% (0.21  1.00   1.40   4.26) =   4.216%  kept
        T QG1   VAL   83 - QG2   VAL   24   8.06 +/- 5.61  13.565% *  1.3973% (0.06 10.00   0.32   0.24) =   2.124%  kept
        T QD1   LEU   73 - QG1   VAL  107  12.15 +/- 2.78   2.761% *  1.4409% (0.98 10.00   0.02   0.02) =   0.446%  kept
        T QD2   LEU   63 - QG1   VAL  107   8.45 +/- 2.81   5.097% *  0.6590% (0.45 10.00   0.02   0.02) =   0.376%  kept
        T QG1   VAL   83 - QG1   VAL  107  12.18 +/- 2.29   5.266% *  0.3665% (0.25 10.00   0.02   0.02) =   0.216%  kept
        T QD1   LEU  104 - QG1   VAL  107   9.28 +/- 1.38   1.757% *  1.0097% (0.69 10.00   0.02   0.02) =   0.199%  kept
        T QD1   LEU  104 - QG2   VAL   24  13.94 +/- 3.99   5.211% *  0.2400% (0.16 10.00   0.02   0.02) =   0.140%  kept
          QD2   LEU   80 - QG1   VAL  107  14.22 +/- 2.04   0.765% *  0.1318% (0.90  1.00   0.02   0.02) =   0.011%
          QD2   LEU  115 - QG2   VAL   24  15.56 +/- 2.93   0.946% *  0.0322% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 2.90 A violated in 1 structures by 0.34 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.377, support = 1.06, residual support = 6.58:
          QD1   LEU  115 - QG2   VAL  107   4.18 +/- 1.74  81.745% * 97.2506% (0.38   1.07   6.62) =  99.373%  kept
          QG1   VAL   75 - QG2   VAL  107   8.90 +/- 0.89  18.255% *  2.7494% (0.57   0.02   0.02) =   0.627%  kept
    Distance limit 3.68 A violated in 5 structures by 0.92 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.846, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.13 +/- 1.47  73.663% * 58.0948% (0.90   0.02   0.02) =  79.498%  kept
          QG2   ILE   19 - QG2   VAL  107  14.00 +/- 1.60  26.337% * 41.9052% (0.65   0.02   0.02) =  20.502%  kept
    Distance limit 3.35 A violated in 20 structures by 5.56 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 60.2:
      O T HA    VAL  107 - QG2   VAL  107   2.76 +/- 0.31  83.678% * 99.4123% (0.45  10.0 10.00   3.63  60.17) =  99.979%  kept
          HA    LYS+ 111 - QG2   VAL  107   6.53 +/- 1.69   9.300% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.008%
          HA    ALA   91 - QG2   VAL  107   9.93 +/- 1.98   4.558% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.007%
          HA    PRO   52 - QG2   VAL  107  11.21 +/- 2.18   2.012% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HA    TRP   27 - QG2   VAL  107  16.46 +/- 1.03   0.452% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.374, support = 2.74, residual support = 11.4:
          HB    VAL  108 - QG1   VAL  107   5.60 +/- 0.49  22.987% * 53.1191% (0.45  1.00   4.31  19.65) =  57.967%  kept
        T HB    ILE  119 - QG1   VAL  107   6.90 +/- 2.63  20.637% * 40.4423% (0.25 10.00   0.59   0.02) =  39.620%  kept
          HG2   PRO   58 - QG1   VAL  107   9.05 +/- 3.00  11.673% *  3.5785% (0.65  1.00   0.20   0.02) =   1.983%  kept
          HB2   PRO   93 - QG1   VAL  107   7.40 +/- 1.41  12.551% *  0.4591% (0.84  1.00   0.02   0.02) =   0.274%  kept
          HG3   PRO   52 - QG1   VAL  107  12.57 +/- 1.72   2.434% *  0.3556% (0.65  1.00   0.02   0.02) =   0.041%
          HB2   ARG+  54 - QG1   VAL  107  13.39 +/- 1.21   1.742% *  0.2892% (0.53  1.00   0.02   0.02) =   0.024%
          HB2   ARG+  54 - QG2   VAL   24  19.90 +/- 4.64   4.259% *  0.0687% (0.13  1.00   0.02   0.02) =   0.014%
          HG2   PRO   58 - QG2   VAL   24  18.37 +/- 4.10   3.095% *  0.0845% (0.15  1.00   0.02   0.02) =   0.012%
          HB2   GLN   30 - QG2   VAL   24   8.09 +/- 0.64   7.520% *  0.0326% (0.06  1.00   0.02   0.02) =   0.012%
          HB2   GLU-  14 - QG2   VAL   24  16.65 +/- 3.31   2.280% *  0.0949% (0.17  1.00   0.02   0.02) =   0.010%
          HB2   GLU-  14 - QG1   VAL  107  22.20 +/- 2.73   0.451% *  0.3991% (0.73  1.00   0.02   0.02) =   0.009%
          HB2   GLN   30 - QG1   VAL  107  17.09 +/- 2.02   1.054% *  0.1371% (0.25  1.00   0.02   0.02) =   0.007%
          HB2   PRO   93 - QG2   VAL   24  16.61 +/- 2.74   1.011% *  0.1091% (0.20  1.00   0.02   0.02) =   0.005%
          HB3   GLU- 100 - QG2   VAL   24  17.21 +/- 4.68   4.007% *  0.0259% (0.05  1.00   0.02   0.02) =   0.005%
          HG3   PRO   52 - QG2   VAL   24  19.83 +/- 4.84   1.103% *  0.0845% (0.15  1.00   0.02   0.02) =   0.004%
          HB3   GLU- 100 - QG1   VAL  107  17.25 +/- 1.10   0.782% *  0.1088% (0.20  1.00   0.02   0.02) =   0.004%
          HG2   MET   11 - QG1   VAL  107  29.11 +/- 4.08   0.196% *  0.4201% (0.76  1.00   0.02   0.02) =   0.004%
          HG2   MET   11 - QG2   VAL   24  22.05 +/- 4.00   0.507% *  0.0998% (0.18  1.00   0.02   0.02) =   0.002%
          HB    VAL  108 - QG2   VAL   24  18.63 +/- 3.84   0.779% *  0.0586% (0.11  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - QG2   VAL   24  19.99 +/- 3.98   0.932% *  0.0326% (0.06  1.00   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 8 structures by 1.38 A, kept.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.832, support = 1.52, residual support = 6.69:
          HA    LEU  115 - QG1   VAL  107   3.03 +/- 2.07  45.364% * 34.0674% (0.90   1.34   6.62) =  63.361%  kept
          HA    GLU- 114 - QG1   VAL  107   5.04 +/- 1.59  13.541% * 47.5646% (0.92   1.82   4.43) =  26.406%  kept
          HA    ASN   28 - QG2   VAL   24   4.82 +/- 0.29  18.988% * 11.5489% (0.21   1.97  14.46) =   8.991%  kept
          HA    THR   26 - QG2   VAL   24   6.50 +/- 0.23   7.239% *  3.9369% (0.14   0.96   2.77) =   1.168%  kept
          HA    ARG+  54 - QG2   VAL   24  18.71 +/- 4.64   8.629% *  0.0460% (0.08   0.02   0.02) =   0.016%
          HA1   GLY  101 - QG1   VAL  107  16.04 +/- 1.13   0.476% *  0.5627% (0.99   0.02   0.02) =   0.011%
          HA    ARG+  54 - QG1   VAL  107  12.31 +/- 1.52   1.298% *  0.1936% (0.34   0.02   0.02) =   0.010%
          HA    ALA   34 - QG1   VAL  107  18.20 +/- 2.12   0.365% *  0.5564% (0.98   0.02   0.02) =   0.008%
          HA1   GLY  101 - QG2   VAL   24  15.36 +/- 5.39   1.382% *  0.1337% (0.24   0.02   0.02) =   0.008%
          HA    ASN   28 - QG1   VAL  107  18.13 +/- 2.24   0.320% *  0.4924% (0.87   0.02   0.02) =   0.006%
          HA    ALA   34 - QG2   VAL   24  12.77 +/- 0.45   0.893% *  0.1322% (0.23   0.02   0.02) =   0.005%
          HA    THR   26 - QG1   VAL  107  20.65 +/- 1.68   0.223% *  0.3443% (0.61   0.02   0.02) =   0.003%
          HA    ALA  124 - QG1   VAL  107  13.95 +/- 2.85   0.520% *  0.1416% (0.25   0.02   0.02) =   0.003%
          HA    LEU  115 - QG2   VAL   24  19.02 +/- 3.16   0.381% *  0.1210% (0.21   0.02   0.02) =   0.002%
          HA    GLU- 114 - QG2   VAL   24  22.06 +/- 3.21   0.220% *  0.1245% (0.22   0.02   0.02) =   0.001%
          HA    ALA  124 - QG2   VAL   24  23.85 +/- 5.43   0.158% *  0.0336% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 60.1:
      O T HA    VAL  107 - QG1   VAL  107   2.20 +/- 0.23  74.845% * 95.9491% (0.45  10.0 10.00   4.60  60.17) =  99.791%  kept
          HA    TRP   27 - QG2   VAL   24   5.80 +/- 0.31   4.238% *  3.1633% (0.20   1.0  1.00   1.49  26.62) =   0.186%  kept
          HA    LYS+ 111 - QG1   VAL  107   6.69 +/- 1.57  18.306% *  0.0730% (0.34   1.0  1.00   0.02   0.02) =   0.019%
          HA    ALA   91 - QG1   VAL  107  11.18 +/- 2.07   0.964% *  0.1298% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   52 - QG1   VAL  107  12.21 +/- 1.28   0.471% *  0.1856% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HA    VAL  107 - QG2   VAL   24  18.43 +/- 2.99   0.163% *  0.2280% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG1   VAL  107  17.22 +/- 1.64   0.175% *  0.1788% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.12 +/- 4.43   0.504% *  0.0441% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL   24  18.24 +/- 4.19   0.206% *  0.0308% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  21.25 +/- 3.39   0.128% *  0.0173% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.143, support = 3.22, residual support = 24.7:
          HD1   TRP   27 - QG2   VAL   24   2.21 +/- 0.45  79.790% * 65.6577% (0.12   3.45  26.62) =  92.603%  kept
          QD    PHE   59 - QG1   VAL  107   5.44 +/- 2.04  16.504% * 25.0415% (0.49   0.31   0.34) =   7.305%  kept
          HH2   TRP   49 - QG1   VAL  107  13.08 +/- 2.70   0.812% *  3.1710% (0.97   0.02   0.02) =   0.046%
          HE21  GLN   30 - QG2   VAL   24   9.26 +/- 1.63   1.705% *  0.6522% (0.20   0.02   0.02) =   0.020%
          HE21  GLN   30 - QG1   VAL  107  17.20 +/- 1.82   0.289% *  2.7445% (0.84   0.02   0.02) =   0.014%
          HD1   TRP   27 - QG1   VAL  107  17.29 +/- 2.30   0.249% *  1.5994% (0.49   0.02   0.02) =   0.007%
          QD    PHE   59 - QG2   VAL   24  15.12 +/- 3.06   0.484% *  0.3801% (0.12   0.02   0.02) =   0.003%
          HH2   TRP   49 - QG2   VAL   24  19.34 +/- 3.62   0.166% *  0.7536% (0.23   0.02   0.02) =   0.002%
    Distance limit 3.20 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 = 4.38, residual support = 46.0:
          QD    PHE   95 - QG2   VAL  107   2.47 +/- 0.60  94.264% * 99.5483% (0.95   4.38  46.01) =  99.987%  kept
          HN    ALA   47 - QG2   VAL  107  10.03 +/- 1.82   2.694% *  0.3675% (0.76   0.02   0.02) =   0.011%
          QE    PHE   72 - QG2   VAL  107   9.85 +/- 1.44   3.041% *  0.0842% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.88, support = 1.36, residual support = 6.32:
          HN    LEU  115 - QG2   VAL  107   4.76 +/- 1.79  55.951% * 74.6966% (0.90   1.50   6.62) =  87.261%  kept
          HN    PHE   97 - QG2   VAL  107   6.95 +/- 0.91  28.543% * 16.7064% (0.90   0.33   5.44) =   9.956%  kept
          HN    ASP- 113 - QG2   VAL  107   7.35 +/- 1.40  15.506% *  8.5970% (0.28   0.56   0.02) =   2.783%  kept
    Distance limit 3.90 A violated in 5 structures by 0.62 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 19.6:
          HN    VAL  108 - QG2   VAL  107   3.66 +/- 0.43  91.837% * 99.3372% (0.57   3.64  19.65) =  99.941%  kept
          HN    VAL   43 - QG2   VAL  107   8.83 +/- 0.74   8.163% *  0.6628% (0.69   0.02   0.02) =   0.059%
    Distance limit 3.46 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 60.2:
          HN    VAL  107 - QG1   VAL  107   3.47 +/- 0.32  95.504% * 99.2859% (0.99   4.13  60.17) =  99.987%  kept
          HN    GLY   51 - QG1   VAL  107  13.78 +/- 1.55   2.050% *  0.4847% (1.00   0.02   0.02) =   0.010%
          HN    GLY   51 - QG2   VAL   24  18.99 +/- 3.80   1.261% *  0.1152% (0.24   0.02   0.02) =   0.002%
          HN    VAL  107 - QG2   VAL   24  16.58 +/- 2.94   1.184% *  0.1142% (0.24   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.615, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   9.65 +/- 1.23  60.017% * 80.7980% (0.69   0.02   0.02) =  86.332%  kept
          HN    VAL   43 - QG2   VAL   24  12.04 +/- 2.66  39.983% * 19.2020% (0.16   0.02   0.02) =  13.668%  kept
    Distance limit 3.52 A violated in 20 structures by 5.39 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   2.84 +/- 0.36  98.338% * 99.9027% (0.99  10.0   2.20   6.40) =  99.998%  kept
          HN    PHE   45 - HA2   GLY  109  12.89 +/- 2.05   1.662% *  0.0973% (0.97   1.0   0.02   0.02) =   0.002%
    Distance limit 3.53 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 = 9.33:
      O   HN    GLY  109 - HA2   GLY  109   2.72 +/- 0.24  95.145% * 99.5895% (0.53  10.0   2.20   9.33) =  99.991%  kept
          HN    GLN   90 - HA2   GLY  109  10.60 +/- 3.73   4.244% *  0.1791% (0.95   1.0   0.02   0.02) =   0.008%
          HN    ILE  103 - HA2   GLY  109  19.01 +/- 1.29   0.315% *  0.1893% (1.00   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA2   GLY  109  20.30 +/- 3.16   0.297% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 65.0:
      O   HN    VAL  108 - HB    VAL  108   2.91 +/- 0.46  98.069% * 99.8788% (0.57  10.0   4.70  65.01) =  99.998%  kept
          HN    VAL   43 - HB    VAL  108  12.73 +/- 2.13   1.931% *  0.1212% (0.69   1.0   0.02   0.02) =   0.002%
    Distance limit 3.23 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.14, support = 3.07, residual support = 7.36:
          HN    GLY  109 - QG1   VAL  108   2.58 +/- 0.34  84.575% * 89.7980% (0.14   3.09   7.42) =  99.268%  kept
          HN    GLN   90 - QG1   VAL  108   7.14 +/- 3.50  13.955% *  3.7236% (0.87   0.02   0.02) =   0.679%  kept
          HN    ILE  103 - QG1   VAL  108  13.19 +/- 1.32   0.765% *  2.9487% (0.69   0.02   0.02) =   0.029%
          HN    SER   82 - QG1   VAL  108  15.10 +/- 2.60   0.568% *  2.9487% (0.69   0.02   0.02) =   0.022%
          HN    GLY   16 - QG1   VAL  108  23.98 +/- 2.70   0.138% *  0.5810% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.65 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   3.59 +/- 0.08  96.947% * 99.4662% (0.57   4.52  65.01) =  99.983%  kept
          HN    VAL   43 - QG1   VAL  108  12.13 +/- 1.75   3.053% *  0.5338% (0.69   0.02   0.02) =   0.017%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 65.0:
          HN    VAL  108 - QG2   VAL  108   2.76 +/- 0.66  96.070% * 99.4085% (0.57   4.08  65.01) =  99.976%  kept
          HN    VAL   43 - QG2   VAL  108  10.24 +/- 1.90   3.930% *  0.5915% (0.69   0.02   0.02) =   0.024%
    Distance limit 3.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.788, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.06 +/- 1.71  60.961% * 32.6470% (0.80   0.02   0.02) =  62.549%  kept
          HN    SER   82 - QG2   VAL  108  14.41 +/- 2.79  30.374% * 28.0060% (0.69   0.02   0.02) =  26.735%  kept
          HN    GLY   16 - QG2   VAL  108  22.16 +/- 2.80   8.665% * 39.3470% (0.97   0.02   0.02) =  10.716%  kept
    Distance limit 4.36 A violated in 20 structures by 5.13 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  17.45 +/- 2.50 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.91 A violated in 20 structures by 13.54 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 = 5.93:
          HA    LYS+ 106 - QG2   VAL  108   4.96 +/- 0.18 100.000% *100.0000% (0.28   1.42   5.93) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.90 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.684, support = 6.56, residual support = 313.5:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.50 +/- 0.23  80.067% * 93.1015% (0.69  10.0  1.00   6.57 315.14) =  99.412%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   5.80 +/- 0.86   8.009% *  5.3087% (0.18   1.0  1.00   4.47  28.70) =   0.567%  kept
          HB3   PRO   93 - HB3   LYS+ 111   9.05 +/- 3.07   7.925% *  0.1085% (0.80   1.0  1.00   0.02   0.02) =   0.011%
        T HG3   LYS+ 106 - HB3   LYS+ 111  14.50 +/- 3.21   0.899% *  0.3380% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HB3   LYS+ 111  14.98 +/- 2.90   0.791% *  0.1352% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+ 111  16.49 +/- 3.29   0.688% *  0.1308% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB3   LYS+ 111  15.21 +/- 2.90   0.636% *  0.1132% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB3   LYS+ 111  18.88 +/- 1.34   0.202% *  0.1329% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  20.64 +/- 3.05   0.213% *  0.1251% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  21.51 +/- 3.50   0.195% *  0.1216% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  24.95 +/- 2.83   0.100% *  0.1834% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.88 +/- 3.87   0.089% *  0.1036% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  24.93 +/- 3.75   0.136% *  0.0557% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  31.12 +/- 3.68   0.052% *  0.0418% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.314, support = 3.6, residual support = 28.3:
          HB3   LYS+ 112 - HB3   LYS+ 111   5.11 +/- 1.55  49.207% * 88.2590% (0.31  1.00   3.65  28.70) =  98.636%  kept
          QG2   VAL  107 - HB3   LYS+ 111   6.78 +/- 2.72  40.012% *  1.1965% (0.76  1.00   0.02   0.02) =   1.087%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  17.23 +/- 2.35   0.867% *  8.2372% (0.53 10.00   0.02   0.02) =   0.162%  kept
          QG2   THR   94 - HB3   LYS+ 111   9.97 +/- 2.17   8.758% *  0.4353% (0.28  1.00   0.02   0.02) =   0.087%
          HG13  ILE  103 - HB3   LYS+ 111  18.89 +/- 3.19   0.689% *  1.5622% (1.00  1.00   0.02   0.02) =   0.024%
          QB    ALA   20 - HB3   LYS+ 111  21.33 +/- 3.06   0.467% *  0.3098% (0.20  1.00   0.02   0.02) =   0.003%
    Distance limit 3.16 A violated in 0 structures by 0.64 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   2.78 +/- 0.18  86.853% * 99.9336% (0.97  10.0   6.97 315.14) =  99.997%  kept
          HA    VAL  108 - HB3   LYS+ 111   8.40 +/- 2.46  10.697% *  0.0160% (0.15   1.0   0.02   0.02) =   0.002%
          HA    PRO   52 - HB3   LYS+ 111  12.12 +/- 3.43   2.450% *  0.0504% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.5, residual support = 315.1:
      O   HN    LYS+ 111 - HB3   LYS+ 111   3.00 +/- 0.59  96.047% * 99.6823% (0.73  10.0   5.50 315.14) =  99.998%  kept
          HN    ILE   56 - HB3   LYS+ 111  11.95 +/- 2.48   2.425% *  0.0468% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LYS+ 111  19.77 +/- 3.04   0.576% *  0.0997% (0.73   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB3   LYS+ 111  16.47 +/- 2.51   0.855% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  32.63 +/- 4.36   0.097% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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   2.95 +/- 0.61  85.653% * 99.5678% (1.00  10.0   7.06 315.14) =  99.995%  kept
          HN    ILE   56 - HB2   LYS+ 111  12.60 +/- 2.51   2.094% *  0.0834% (0.84   1.0   0.02   0.02) =   0.002%
          HN    LEU   63 - HB2   LYS+ 111  17.10 +/- 2.76   1.380% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HE21  GLN   32 - HG3   GLN   30  10.52 +/- 1.64   3.506% *  0.0146% (0.15   1.0   0.02   1.78) =   0.001%
          HN    ALA   84 - HB2   LYS+ 111  20.47 +/- 3.12   0.435% *  0.0996% (1.00   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HG3   GLN   30  14.53 +/- 3.07   1.727% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  18.59 +/- 4.28   0.622% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.43 +/- 0.76   3.447% *  0.0031% (0.03   1.0   0.02  19.60) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  33.18 +/- 4.49   0.118% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  21.29 +/- 2.98   0.505% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  26.79 +/- 4.19   0.291% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  26.06 +/- 3.38   0.224% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 314.9:
          HN    LYS+ 111 - HG2   LYS+ 111   3.43 +/- 0.87  93.351% * 94.2769% (0.18   6.52 315.14) =  99.939%  kept
          HN    ILE   56 - HG2   LYS+ 111  13.20 +/- 2.65   2.869% *  0.8040% (0.49   0.02   0.02) =   0.026%
          HN    LEU   63 - HG2   LYS+ 111  18.06 +/- 2.75   0.926% *  1.0018% (0.61   0.02   0.02) =   0.011%
          HZ2   TRP   87 - HG2   LYS+ 111  21.23 +/- 3.54   0.539% *  1.4813% (0.90   0.02   0.02) =   0.009%
          QE    PHE   60 - HG2   LYS+ 111  16.70 +/- 3.33   1.280% *  0.5098% (0.31   0.02   0.02) =   0.007%
          HD21  ASN   28 - HG2   LYS+ 111  27.01 +/- 4.29   0.262% *  1.6371% (0.99   0.02   0.02) =   0.005%
          HN    ALA   84 - HG2   LYS+ 111  19.84 +/- 3.31   0.774% *  0.2893% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.00 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.1:
          HN    LYS+ 111 - HG3   LYS+ 111   3.29 +/- 0.24  78.857% * 98.0209% (0.65   6.55 315.14) =  99.974%  kept
          HN    ILE   56 - HG3   LYS+ 111  13.09 +/- 2.86   1.749% *  0.4467% (0.97   0.02   0.02) =   0.010%
          HN    LEU   63 - HG2   LYS+  74   9.96 +/- 2.54   6.955% *  0.0494% (0.11   0.02   0.02) =   0.004%
          HN    LEU   63 - HG3   LYS+ 111  18.17 +/- 2.60   0.585% *  0.4618% (1.00   0.02   0.02) =   0.003%
          HN    ALA   84 - HG3   LYS+ 111  19.68 +/- 3.33   0.530% *  0.2994% (0.65   0.02   0.02) =   0.002%
          HN    ALA   84 - HG2   LYS+  74  13.13 +/- 2.24   2.550% *  0.0320% (0.07   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HG2   LYS+  74  12.88 +/- 3.10   4.133% *  0.0186% (0.04   0.02   0.02) =   0.001%
          HN    ILE   56 - HG2   LYS+  74  15.21 +/- 3.05   1.490% *  0.0477% (0.10   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HG3   LYS+ 111  21.18 +/- 3.48   0.363% *  0.1737% (0.38   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG3   LYS+ 111  27.01 +/- 4.10   0.206% *  0.2620% (0.57   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG2   LYS+  74  12.92 +/- 1.90   1.656% *  0.0280% (0.06   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HG2   LYS+  74  20.37 +/- 3.24   0.423% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  33.78 +/- 4.13   0.090% *  0.1154% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  19.79 +/- 2.19   0.412% *  0.0123% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.87, residual support = 31.9:
          HN    VAL   75 - HG2   LYS+  74   3.36 +/- 0.60  92.869% * 91.8006% (0.09   5.88  31.94) =  99.835%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.93 +/- 0.74   5.767% *  1.6604% (0.11   0.09   0.02) =   0.112%  kept
          HN    ASP-  78 - HG3   LYS+ 111  20.44 +/- 4.12   0.758% *  3.6169% (0.99   0.02   0.02) =   0.032%
          HN    VAL   75 - HG3   LYS+ 111  20.52 +/- 3.37   0.606% *  2.9221% (0.80   0.02   0.02) =   0.021%
    Distance limit 3.89 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.733, support = 1.13, residual support = 3.49:
        T HB2   LEU  115 - HA    LYS+ 112   3.03 +/- 0.82  55.299% * 68.0243% (0.76 10.00   0.75   2.15) =  89.539%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.23 +/- 0.52  14.637% * 15.8112% (0.73  1.00   1.83   3.01) =   5.509%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.32 +/- 0.23  13.442% * 15.2531% (0.18  1.00   7.34  28.70) =   4.880%  kept
          HG3   PRO   58 - HA    LYS+ 112   9.88 +/- 2.89  14.922% *  0.1901% (0.80  1.00   0.02   0.02) =   0.068%
          HG2   PRO   68 - HA    LYS+ 112  21.35 +/- 4.26   0.323% *  0.2059% (0.87  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - HA    LYS+ 112  18.40 +/- 3.21   0.539% *  0.0891% (0.38  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LYS+ 112  21.92 +/- 2.70   0.190% *  0.1901% (0.80  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LYS+ 112  20.71 +/- 2.82   0.256% *  0.0416% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  24.38 +/- 3.00   0.174% *  0.0528% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  27.90 +/- 4.07   0.091% *  0.0891% (0.38  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  25.60 +/- 2.31   0.126% *  0.0528% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.43, residual support = 5.39:
        T QD1   ILE   56 - HA    LYS+ 112   5.99 +/- 2.96  61.753% * 99.6371% (0.84 10.00   1.43   5.39) =  99.948%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.73 +/- 0.77   9.345% *  0.1538% (0.92  1.00   0.02   0.02) =   0.023%
          QD2   LEU  123 - HA    LYS+ 112  11.80 +/- 1.41  19.235% *  0.0463% (0.28  1.00   0.02   0.02) =   0.014%
          QD2   LEU   73 - HA    LYS+ 112  15.75 +/- 2.84   7.349% *  0.0943% (0.57  1.00   0.02   0.02) =   0.011%
          HG    LEU   31 - HA    LYS+ 112  22.98 +/- 2.92   2.317% *  0.0685% (0.41  1.00   0.02   0.02) =   0.003%
    Distance limit 3.29 A violated in 9 structures by 2.77 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.78, support = 1.26, residual support = 2.18:
          QD    PHE   55 - HA    LYS+ 112   6.42 +/- 3.42  46.790% * 56.3214% (0.95   1.14   1.02) =  56.370%  kept
          QE    PHE   95 - HA    LYS+ 112   5.87 +/- 2.10  48.967% * 41.6150% (0.57   1.41   3.68) =  43.589%  kept
          HE3   TRP   27 - HA    LYS+ 112  20.73 +/- 2.87   0.931% *  1.0204% (0.98   0.02   0.02) =   0.020%
          HN    THR   23 - HA    LYS+ 112  22.97 +/- 3.64   0.652% *  0.5477% (0.53   0.02   0.02) =   0.008%
          HN    LYS+  81 - HA    LYS+ 112  21.39 +/- 2.78   1.122% *  0.2894% (0.28   0.02   0.02) =   0.007%
          HN    LEU   67 - HA    LYS+ 112  17.35 +/- 3.36   1.539% *  0.2060% (0.20   0.02   0.02) =   0.007%
    Distance limit 3.74 A violated in 3 structures by 0.81 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.76, residual support = 237.9:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.78 +/- 0.06  95.822% * 99.7200% (0.92  10.0   5.76 237.94) =  99.998%  kept
          HN    MET   92 - HA    LYS+ 112  12.06 +/- 2.63   2.537% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HA    LYS+ 112  13.18 +/- 2.07   1.126% *  0.0484% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HA    LYS+ 112  18.80 +/- 2.97   0.461% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  36.96 +/- 4.93   0.054% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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   3.80 +/- 0.62  95.075% * 98.9787% (0.41   6.23 237.94) =  99.977%  kept
          HN    ASP-  78 - HG2   LYS+ 112  18.29 +/- 4.32   2.945% *  0.5903% (0.76   0.02   0.02) =   0.018%
          HN    VAL   75 - HG2   LYS+ 112  16.86 +/- 3.21   1.841% *  0.2384% (0.31   0.02   0.02) =   0.005%
          HN    MET   11 - HG2   LYS+ 112  36.86 +/- 4.46   0.139% *  0.1926% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.844, support = 0.958, residual support = 1.85:
          QE    PHE   59 - HG2   LYS+ 112   7.01 +/- 1.68  42.699% * 77.6764% (0.90   1.07   1.93) =  86.397%  kept
          HN    PHE   59 - HG2   LYS+ 112   8.63 +/- 1.65  26.641% * 13.0619% (0.53   0.31   1.93) =   9.065%  kept
          QD    PHE   60 - HG2   LYS+ 112  10.48 +/- 2.92  22.075% *  7.4770% (0.45   0.21   0.02) =   4.300%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.57 +/- 2.60   5.543% *  1.5001% (0.92   0.02   0.02) =   0.217%  kept
          HN    LYS+  81 - HG2   LYS+ 112  21.71 +/- 3.77   3.041% *  0.2846% (0.18   0.02   0.02) =   0.023%
    Distance limit 4.13 A violated in 11 structures by 1.95 A, kept.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.6, residual support = 237.7:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.61 +/- 0.51  94.991% * 93.9398% (0.20  10.0 10.00   4.60 237.94) =  99.895%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.87 +/- 1.91   1.858% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.098%
          HG3   MET   96 - HG2   LYS+ 112  16.71 +/- 2.53   0.829% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   45 - HG2   LYS+ 112  12.66 +/- 2.99   1.893% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HG2   LYS+ 112  21.87 +/- 3.26   0.246% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG2   LYS+ 112  29.33 +/- 4.49   0.109% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  32.18 +/- 3.43   0.073% *  0.2128% (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 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 +/- 0.47  94.282% * 90.7599% (0.20  10.0 10.00   4.65 237.94) =  99.858%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  12.39 +/- 2.10   1.977% *  4.5456% (0.99   1.0 10.00   0.02   0.02) =   0.105%  kept
          HG3   MET   96 - HG3   LYS+ 112  16.59 +/- 2.61   0.744% *  3.7000% (0.69   1.0  1.00   0.23   0.02) =   0.032%
          HB3   PHE   45 - HG3   LYS+ 112  12.63 +/- 3.04   2.402% *  0.0908% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HG3   LYS+ 112  21.68 +/- 3.29   0.349% *  0.3831% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HG3   LYS+ 112  29.47 +/- 4.57   0.146% *  0.3150% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HG3   LYS+ 112  32.34 +/- 3.45   0.100% *  0.2056% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.288, support = 1.74, residual support = 3.62:
          QE    PHE   95 - HG3   LYS+ 112   7.03 +/- 2.47  66.165% * 86.8325% (0.28   1.77   3.68) =  98.263%  kept
          HD1   TRP   49 - HG3   LYS+ 112  14.69 +/- 4.05  18.101% *  3.4116% (0.97   0.02   0.02) =   1.056%  kept
          HD2   HIS   22 - HG3   LYS+ 112  23.75 +/- 5.74   4.841% *  3.5350% (1.00   0.02   0.02) =   0.293%  kept
          HN    LEU   67 - HG3   LYS+ 112  18.00 +/- 3.19   6.186% *  2.4283% (0.69   0.02   0.02) =   0.257%  kept
          HD21  ASN   35 - HG3   LYS+ 112  29.84 +/- 3.62   1.585% *  2.7016% (0.76   0.02   0.02) =   0.073%
          HN    THR   23 - HG3   LYS+ 112  23.31 +/- 4.26   3.122% *  1.0911% (0.31   0.02   0.02) =   0.058%
    Distance limit 4.27 A violated in 13 structures by 2.74 A, kept.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.92, residual support = 237.9:
          HN    LYS+ 112 - HG3   LYS+ 112   3.36 +/- 0.32  96.940% * 98.9261% (0.41   5.93 237.94) =  99.986%  kept
          HN    ASP-  78 - HG3   LYS+ 112  18.36 +/- 4.43   1.504% *  0.6207% (0.76   0.02   0.02) =   0.010%
          HN    VAL   75 - HG3   LYS+ 112  17.08 +/- 3.35   1.454% *  0.2507% (0.31   0.02   0.02) =   0.004%
          HN    MET   11 - HG3   LYS+ 112  37.28 +/- 4.75   0.102% *  0.2025% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.84, residual support = 237.9:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.34 +/- 0.13  97.245% * 95.1769% (0.20  10.0  1.00   3.84 237.94) =  99.978%  kept
        T HG3   MET   96 - HD2   LYS+ 112  17.21 +/- 3.06   0.417% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.015%
          HB3   ASP-  62 - HD2   LYS+ 112  12.00 +/- 2.14   0.956% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PHE   45 - HD2   LYS+ 112  13.26 +/- 3.37   1.073% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD2   LYS+ 112  22.36 +/- 3.85   0.170% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD2   LYS+ 112  29.45 +/- 5.01   0.094% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  32.35 +/- 3.71   0.044% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 237.9:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.73 +/- 0.26  94.160% * 99.7845% (0.85  10.0   5.70 237.94) =  99.993%  kept
          QB    ALA   47 - HD3   LYS+ 112  11.13 +/- 2.97   4.392% *  0.1053% (0.89   1.0   0.02   0.02) =   0.005%
          QG1   VAL   42 - HD3   LYS+ 112  13.06 +/- 2.29   1.448% *  0.1103% (0.94   1.0   0.02   0.02) =   0.002%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 3.3, residual support = 237.9:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.38 +/- 0.15  97.074% * 98.0934% (0.19  10.0   3.30 237.94) =  99.990%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.79 +/- 2.01   1.162% *  0.4913% (0.94   1.0   0.02   0.02) =   0.006%
          HG3   MET   96 - HD3   LYS+ 112  17.29 +/- 2.71   0.338% *  0.3405% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PHE   45 - HD3   LYS+ 112  13.44 +/- 3.20   1.117% *  0.0981% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD3   LYS+ 112  22.46 +/- 3.84   0.188% *  0.4140% (0.79   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD3   LYS+ 112  29.47 +/- 4.82   0.075% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  32.35 +/- 3.56   0.046% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.6, residual support = 237.9:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.61 +/- 0.51  74.449% * 99.5374% (0.75  10.0 10.00   4.60 237.94) =  99.976%  kept
          QB    ALA   47 - QE    LYS+ 112   9.25 +/- 2.69   9.813% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.014%
        T HG2   LYS+ 112 - HB3   ASP-  62  11.87 +/- 1.91   1.389% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   42 - HB3   ASP-  62   8.22 +/- 1.95   9.904% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - QE    LYS+ 112  11.24 +/- 2.15   1.526% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   47 - HB3   ASP-  62  12.74 +/- 3.09   2.920% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.417, support = 0.933, residual support = 5.03:
          QD1   ILE   56 - QE    LYS+ 112   4.92 +/- 1.97  30.595% * 73.5156% (0.44   0.98   5.39) =  93.185%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.30 +/- 1.63  15.300% *  5.0327% (0.09   0.33   0.02) =   3.190%  kept
          QG2   VAL   18 - HB3   ASP-  62  10.07 +/- 2.89   8.488% *  3.6889% (0.07   0.31   0.02) =   1.297%  kept
          QD2   LEU   73 - HB3   ASP-  62  10.41 +/- 2.40   4.394% *  4.4421% (0.14   0.19   0.02) =   0.809%  kept
          QG2   THR   46 - HB3   ASP-  62   9.21 +/- 3.38  15.817% *  0.7601% (0.05   0.08   0.02) =   0.498%  kept
          QG2   THR   46 - QE    LYS+ 112   8.74 +/- 3.04  12.686% *  0.8775% (0.26   0.02   0.02) =   0.461%  kept
          QG1   VAL   43 - QE    LYS+ 112  12.93 +/- 2.27   1.672% *  1.8392% (0.54   0.02   0.02) =   0.127%  kept
          QD2   LEU   73 - QE    LYS+ 112  13.98 +/- 3.28   1.253% *  2.2766% (0.67   0.02   0.02) =   0.118%  kept
          QG1   VAL   41 - QE    LYS+ 112  16.55 +/- 2.62   0.776% *  2.3748% (0.70   0.02   0.02) =   0.076%
          QG1   VAL   43 - HB3   ASP-  62  11.14 +/- 2.36   4.780% *  0.3763% (0.11   0.02   0.02) =   0.075%
          QG2   VAL   18 - QE    LYS+ 112  14.42 +/- 2.07   1.473% *  1.1688% (0.34   0.02   0.02) =   0.071%
          HG    LEU   31 - QE    LYS+ 112  20.63 +/- 3.58   0.395% *  2.6245% (0.77   0.02   0.02) =   0.043%
          QG1   VAL   41 - HB3   ASP-  62  13.76 +/- 2.23   1.724% *  0.4859% (0.14   0.02   0.02) =   0.035%
          HG    LEU   31 - HB3   ASP-  62  17.17 +/- 2.82   0.648% *  0.5370% (0.16   0.02   0.02) =   0.014%
    Distance limit 3.76 A violated in 3 structures by 0.47 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 +/- 0.47  71.321% * 94.8133% (0.81  10.0 10.00   4.65 237.94) =  99.199%  kept
          HG    LEU   63 - HB3   ASP-  62   5.85 +/- 0.94  13.009% *  4.0907% (0.15   1.0  1.00   4.54  42.31) =   0.781%  kept
          HG    LEU   63 - QE    LYS+ 112  11.21 +/- 2.72   6.709% *  0.0881% (0.75   1.0  1.00   0.02   0.02) =   0.009%
        T QG2   VAL   24 - QE    LYS+ 112  17.79 +/- 3.66   0.552% *  0.7508% (0.64   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 112 - HB3   ASP-  62  12.39 +/- 2.10   1.474% *  0.1940% (0.16   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL  108 - QE    LYS+ 112  10.57 +/- 1.68   2.848% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB3   ASP-  62  15.99 +/- 4.24   1.525% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.08 +/- 1.63   0.441% *  0.0152% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.64 +/- 2.17   1.018% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  15.14 +/- 4.00   1.105% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.499, support = 0.02, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   7.11 +/- 1.11  22.145% * 59.7816% (0.51 10.00   0.02   0.02) =  84.542%  kept
          HG13  ILE  119 - QE    LYS+ 112   7.84 +/- 1.55  19.116% *  6.3761% (0.54  1.00   0.02   0.02) =   7.783%  kept
          HG13  ILE  119 - HB3   ASP-  62   7.60 +/- 1.45  20.587% *  1.3045% (0.11  1.00   0.02   0.02) =   1.715%  kept
          QB    ALA   20 - QE    LYS+ 112  16.04 +/- 3.29   2.609% *  9.8344% (0.83  1.00   0.02   0.02) =   1.639%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  15.09 +/- 1.26   2.114% *  8.2327% (0.70  1.00   0.02   0.02) =   1.111%  kept
          QG2   VAL  107 - HB3   ASP-  62   9.34 +/- 2.11  13.912% *  1.2231% (0.10  1.00   0.02   0.02) =   1.087%  kept
          QB    ALA   20 - HB3   ASP-  62  12.60 +/- 2.86   7.105% *  2.0121% (0.17  1.00   0.02   0.02) =   0.913%  kept
          HG2   LYS+ 121 - HB3   ASP-  62  13.33 +/- 2.06   3.718% *  1.6844% (0.14  1.00   0.02   0.02) =   0.400%  kept
          HB3   LEU   31 - QE    LYS+ 112  21.52 +/- 3.48   0.912% *  5.9782% (0.51  1.00   0.02   0.02) =   0.348%  kept
          HG13  ILE  103 - QE    LYS+ 112  17.80 +/- 2.81   1.753% *  1.9506% (0.17  1.00   0.02   0.02) =   0.218%  kept
          HB3   LEU   31 - HB3   ASP-  62  18.38 +/- 3.06   1.716% *  1.2231% (0.10  1.00   0.02   0.02) =   0.134%  kept
          HG13  ILE  103 - HB3   ASP-  62  17.29 +/- 3.57   4.315% *  0.3991% (0.03  1.00   0.02   0.02) =   0.110%  kept
    Distance limit 3.18 A violated in 18 structures by 2.30 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.77, support = 0.884, residual support = 2.49:
          QE    PHE   95 - QE    LYS+ 112   6.36 +/- 2.52  26.099% * 59.9497% (0.82   1.08   3.68) =  55.517%  kept
          QD    PHE   55 - QE    LYS+ 112   4.80 +/- 2.78  37.924% * 32.2303% (0.72   0.65   1.02) =  43.372%  kept
          QE    PHE   95 - HB3   ASP-  62   7.15 +/- 2.30  11.955% *  1.3920% (0.17   0.12   0.02) =   0.590%  kept
          HN    THR   23 - HB3   ASP-  62  16.65 +/- 4.74   3.885% *  2.4586% (0.16   0.22   0.02) =   0.339%  kept
          HN    LEU   67 - QE    LYS+ 112  15.10 +/- 2.67   1.528% *  0.7344% (0.54   0.02   0.02) =   0.040%
          HN    LEU   67 - HB3   ASP-  62   7.50 +/- 1.12   7.294% *  0.1503% (0.11   0.02   0.02) =   0.039%
          HD1   TRP   49 - QE    LYS+ 112  12.98 +/- 3.41   2.081% *  0.3504% (0.26   0.02   0.02) =   0.026%
          QD    PHE   55 - HB3   ASP-  62  11.09 +/- 1.67   2.739% *  0.2015% (0.15   0.02   0.02) =   0.020%
          HN    THR   23 - QE    LYS+ 112  19.91 +/- 4.54   0.493% *  1.0956% (0.81   0.02   0.02) =   0.019%
          HE3   TRP   27 - QE    LYS+ 112  18.38 +/- 3.47   0.555% *  0.9090% (0.67   0.02   0.02) =   0.018%
          HE3   TRP   27 - HB3   ASP-  62  14.61 +/- 3.50   1.455% *  0.1860% (0.14   0.02   0.02) =   0.010%
          HD2   HIS   22 - QE    LYS+ 112  20.18 +/- 5.89   0.657% *  0.2247% (0.17   0.02   0.02) =   0.005%
          HD2   HIS   22 - HB3   ASP-  62  16.84 +/- 5.16   2.849% *  0.0460% (0.03   0.02   0.02) =   0.005%
          HD1   TRP   49 - HB3   ASP-  62  17.30 +/- 4.03   0.486% *  0.0717% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.843, support = 3.48, residual support = 23.4:
          HN    GLU- 114 - QB    ASP- 113   2.80 +/- 0.32  79.442% * 74.6084% (0.84   3.63  24.68) =  94.478%  kept
          HN    GLN  116 - QB    ASP- 113   5.10 +/- 0.19  14.587% * 23.1771% (0.98   0.96   1.94) =   5.389%  kept
          HN    THR  118 - QB    ASP- 113   7.67 +/- 0.57   4.650% *  1.7153% (0.80   0.09   0.02) =   0.127%  kept
          HN    PHE   60 - QB    ASP- 113  13.03 +/- 1.52   1.114% *  0.2786% (0.57   0.02   0.02) =   0.005%
          HN    LEU   71 - QB    ASP- 113  22.49 +/- 2.50   0.207% *  0.2206% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 14.4:
      O   HN    ASP- 113 - QB    ASP- 113   2.15 +/- 0.07  98.722% * 99.9821% (0.98  10.0   3.46  14.38) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  13.44 +/- 3.25   1.278% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.436, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   9.05 +/- 2.32  72.850% * 39.4133% (0.41 10.00   0.02   0.02) =  87.615%  kept
        T HB3   LYS+  99 - HA    ASP- 113  23.12 +/- 2.43   5.849% * 50.4393% (0.53 10.00   0.02   0.02) =   9.002%  kept
          HB    ILE   89 - HA    ASP- 113  18.84 +/- 2.34  11.017% *  8.8499% (0.92  1.00   0.02   0.02) =   2.975%  kept
          HB    VAL   43 - HA    ASP- 113  19.03 +/- 1.59  10.285% *  1.2975% (0.14  1.00   0.02   0.02) =   0.407%  kept
    Distance limit 3.71 A violated in 20 structures by 5.24 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.762, support = 4.61, residual support = 51.8:
      O   HN    GLU- 114 - HA    GLU- 114   2.83 +/- 0.02  33.437% * 52.3471% (0.84  10.0   3.79  43.01) =  72.989%  kept
      O   HN    GLN  116 - HA    LEU  115   3.58 +/- 0.04  16.522% * 28.2708% (0.45  10.0   7.93 102.50) =  19.478%  kept
          HN    GLN  116 - HA    GLU- 114   4.21 +/- 0.36  10.763% * 12.7167% (0.98   1.0   4.14   1.99) =   5.708%  kept
          HN    GLU- 114 - HA    LEU  115   5.04 +/- 0.10   5.983% *  5.4940% (0.38   1.0   4.56  21.60) =   1.371%  kept
          HN    THR  118 - HA    GLU- 114   4.87 +/- 0.64   8.072% *  0.9410% (0.80   1.0   0.38   0.11) =   0.317%  kept
          HN    THR  118 - HA    LEU  115   3.25 +/- 0.37  23.731% *  0.1377% (0.37   1.0   0.12   0.12) =   0.136%  kept
          HN    PHE   60 - HA    LEU  115   9.54 +/- 0.85   0.975% *  0.0163% (0.26   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HA    GLU- 114  13.49 +/- 0.91   0.323% *  0.0355% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  22.97 +/- 2.32   0.071% *  0.0281% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  19.01 +/- 2.01   0.124% *  0.0129% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.653, support = 6.3, residual support = 122.4:
      O   HN    LEU  115 - HA    GLU- 114   3.59 +/- 0.04  27.091% * 65.9618% (0.90  10.0   4.83  21.60) =  49.802%  kept
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.04  58.247% * 30.3564% (0.41  10.0   7.84 226.06) =  49.277%  kept
          HN    ASP- 113 - HA    GLU- 114   5.16 +/- 0.18   9.209% *  3.5761% (0.28   1.0   3.50  24.68) =   0.918%  kept
          HN    ASP- 113 - HA    LEU  115   6.83 +/- 0.22   3.947% *  0.0094% (0.13   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    GLU- 114  14.43 +/- 1.96   0.495% *  0.0660% (0.90   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    LEU  115  11.58 +/- 2.16   1.011% *  0.0304% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 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 = 4.2, residual support = 41.8:
      O   HN    GLU- 114 - QB    GLU- 114   2.25 +/- 0.18  83.554% * 75.6824% (0.81  10.0   4.19  43.01) =  97.002%  kept
          HN    GLN  116 - QB    GLU- 114   4.94 +/- 0.32   8.136% * 21.1606% (0.95   1.0   4.77   1.99) =   2.641%  kept
          HN    THR  118 - QB    GLU- 114   5.33 +/- 0.62   7.590% *  3.0651% (0.77   1.0   0.84   0.11) =   0.357%  kept
          HN    PHE   60 - QB    GLU- 114  12.19 +/- 1.21   0.577% *  0.0513% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  20.37 +/- 2.27   0.143% *  0.0406% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.829, support = 5.5, residual support = 21.8:
          HN    LEU  115 - QB    GLU- 114   3.22 +/- 0.38  71.822% * 84.8408% (0.87   5.65  21.60) =  93.895%  kept
          HN    ASP- 113 - QB    GLU- 114   4.55 +/- 0.37  26.631% * 14.8587% (0.27   3.19  24.68) =   6.097%  kept
          HN    PHE   97 - QB    GLU- 114  12.15 +/- 1.78   1.548% *  0.3005% (0.87   0.02   0.02) =   0.007%
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.86, support = 4.34, residual support = 34.8:
          HN    GLU- 114 - QG    GLU- 114   2.70 +/- 0.45  70.225% * 46.7257% (0.83   4.48  43.01) =  79.988%  kept
          HN    GLN  116 - QG    GLU- 114   4.76 +/- 0.66  15.696% * 49.1469% (0.98   4.01   1.99) =  18.805%  kept
          HN    THR  118 - QG    GLU- 114   5.44 +/- 0.80  12.736% *  3.8740% (0.80   0.39   0.11) =   1.203%  kept
          HN    PHE   60 - QG    GLU- 114  11.58 +/- 1.03   1.107% *  0.1414% (0.56   0.02   0.02) =   0.004%
          HN    LEU   71 - QG    GLU- 114  19.64 +/- 2.33   0.235% *  0.1120% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.51 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 = 5.9, residual support = 21.6:
          HN    LEU  115 - QG    GLU- 114   2.66 +/- 1.03  96.249% * 98.5697% (0.45   5.90  21.60) =  99.986%  kept
          HN    PHE   97 - QG    GLU- 114  11.47 +/- 1.10   3.286% *  0.3339% (0.45   0.02   0.02) =   0.012%
          HN    ASN   35 - QG    GLU- 114  24.45 +/- 2.66   0.346% *  0.3918% (0.52   0.02   0.02) =   0.001%
          HN    ALA   12 - QG    GLU- 114  32.69 +/- 3.51   0.119% *  0.7045% (0.94   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.66, residual support = 4.15:
          QG1   VAL  107 - QG    GLU- 114   3.48 +/- 0.84  68.836% * 56.7847% (0.98   1.74   4.43) =  82.627%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.21 +/- 1.71  21.845% * 35.1817% (0.83   1.27   3.01) =  16.246%  kept
          HG13  ILE  119 - QG    GLU- 114   8.58 +/- 1.35   7.387% *  7.1381% (0.22   0.96   0.12) =   1.115%  kept
          QG1   VAL   24 - QG    GLU- 114  19.15 +/- 2.71   0.726% *  0.6134% (0.92   0.02   0.02) =   0.009%
          QG2   VAL   24 - QG    GLU- 114  18.47 +/- 2.54   0.785% *  0.1164% (0.17   0.02   0.02) =   0.002%
          HB3   LEU   31 - QG    GLU- 114  21.38 +/- 2.76   0.420% *  0.1657% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.36 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.586, support = 0.98, residual support = 4.31:
        T QG2   VAL  107 - QB    GLU- 114   4.84 +/- 1.84  65.101% * 91.4794% (0.59 10.00   0.99   4.43) =  97.323%  kept
          HG13  ILE  119 - QB    GLU- 114   8.85 +/- 0.84  20.841% *  7.7141% (0.62  1.00   0.78   0.12) =   2.627%  kept
          HG2   LYS+ 121 - QB    GLU- 114  11.77 +/- 1.40   8.292% *  0.2554% (0.81  1.00   0.02   0.02) =   0.035%
          QB    ALA   20 - QB    GLU- 114  19.05 +/- 2.22   1.888% *  0.3051% (0.96  1.00   0.02   0.02) =   0.009%
          HB3   LEU   31 - QB    GLU- 114  22.17 +/- 3.45   1.087% *  0.1855% (0.59  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - QB    GLU- 114  14.99 +/- 1.81   2.792% *  0.0605% (0.19  1.00   0.02   0.02) =   0.003%
    Distance limit 3.09 A violated in 10 structures by 1.76 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.908, support = 6.46, residual support = 219.4:
      O T HA    LEU  115 - HB3   LEU  115   2.42 +/- 0.27  81.258% * 66.5643% (0.92  10.0 10.00   6.55 226.06) =  96.754%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.36 +/- 0.32   5.590% * 32.3284% (0.45   1.0 10.00   3.77  21.60) =   3.233%  kept
        T HA    ARG+  54 - HB3   LEU  115  11.81 +/- 1.53   0.986% *  0.6023% (0.84   1.0 10.00   0.02   0.02) =   0.011%
          HA    ALA   34 - HB3   LEU   40   8.06 +/- 1.55   6.569% *  0.0068% (0.09   1.0  1.00   0.02   0.40) =   0.001%
        T HA    LEU  115 - HB3   LEU   40  18.56 +/- 2.84   0.255% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  21.42 +/- 4.35   0.250% *  0.0707% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  16.23 +/- 1.26   0.325% *  0.0524% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  22.15 +/- 3.36   0.147% *  0.0682% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  22.71 +/- 3.23   0.124% *  0.0577% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.00 +/- 2.37   0.809% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  12.93 +/- 5.22   1.219% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  22.14 +/- 3.23   0.149% *  0.0379% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  19.05 +/- 2.15   0.246% *  0.0223% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  22.57 +/- 2.04   0.110% *  0.0437% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.40 +/- 2.23   0.296% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  20.59 +/- 8.02   0.499% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  12.64 +/- 1.49   0.876% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  24.38 +/- 3.75   0.104% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  28.35 +/- 3.64   0.062% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  22.01 +/- 2.37   0.125% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.33, residual support = 226.1:
      O T QD1   LEU  115 - HB3   LEU  115   2.49 +/- 0.24  97.047% * 99.7570% (0.87  10.0 10.00   6.33 226.06) =  99.998%  kept
          QG1   VAL   75 - HB3   LEU  115  11.83 +/- 1.47   1.142% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  115 - HB3   LEU   40  15.72 +/- 1.79   0.478% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HB3   LEU   40  12.13 +/- 1.87   1.333% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.447, support = 7.41, residual support = 225.5:
      O T QD2   LEU  115 - HB3   LEU  115   2.48 +/- 0.37  65.020% * 96.9533% (0.45  10.0 10.00   7.42 226.06) =  99.729%  kept
          QG2   VAL   41 - HB3   LEU   40   5.77 +/- 0.85   7.449% *  1.9811% (0.04   1.0  1.00   4.16  21.29) =   0.233%  kept
          QD2   LEU   63 - HB3   LEU  115   9.27 +/- 3.32   5.743% *  0.1996% (0.92   1.0  1.00   0.02   0.02) =   0.018%
          QD1   LEU   63 - HB3   LEU  115   9.05 +/- 3.02   3.737% *  0.1732% (0.80   1.0  1.00   0.02   0.02) =   0.010%
          QD1   LEU   73 - HB3   LEU  115  14.52 +/- 3.46   1.004% *  0.1732% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU  115 - HB3   LEU   40  15.51 +/- 2.10   0.646% *  0.1137% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   LEU   40   9.43 +/- 2.10   2.398% *  0.0234% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU  115  13.83 +/- 2.70   1.007% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU  115  15.34 +/- 1.70   0.390% *  0.0812% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB3   LEU   40  10.30 +/- 1.99   1.532% *  0.0203% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU   40   8.60 +/- 5.10   5.015% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  14.41 +/- 1.96   0.554% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40  10.55 +/- 1.50   1.111% *  0.0203% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  17.52 +/- 2.36   0.247% *  0.0889% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   8.98 +/- 3.86   3.120% *  0.0056% (0.03   1.0  1.00   0.02   8.39) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.36 +/- 2.52   0.272% *  0.0481% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.63 +/- 3.35   0.399% *  0.0104% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  17.22 +/- 3.48   0.354% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.95, support = 7.62, residual support = 88.1:
          HN    GLN  116 - HB3   LEU  115   3.87 +/- 0.59  38.408% * 67.2915% (0.98   8.59 102.50) =  83.873%  kept
          HN    GLU- 114 - HB3   LEU  115   5.58 +/- 0.51  13.789% * 22.2808% (0.84   3.34  21.60) =   9.970%  kept
          HN    THR  118 - HB3   LEU  115   5.11 +/- 0.46  19.719% *  8.3799% (0.80   1.31   0.12) =   5.362%  kept
          HN    LEU   71 - HB3   LEU   40   5.85 +/- 1.62  19.954% *  0.9722% (0.05   2.31   1.56) =   0.630%  kept
          HN    PHE   60 - HB3   LEU  115   8.33 +/- 1.44   5.319% *  0.9443% (0.57   0.21   0.02) =   0.163%  kept
          HN    LEU   71 - HB3   LEU  115  18.54 +/- 2.54   0.496% *  0.0717% (0.45   0.02   0.02) =   0.001%
          HN    PHE   60 - HB3   LEU   40  15.37 +/- 3.07   1.025% *  0.0106% (0.07   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  18.77 +/- 4.13   0.629% *  0.0150% (0.09   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  20.50 +/- 3.21   0.406% *  0.0184% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  22.42 +/- 2.65   0.254% *  0.0157% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 7.53, residual support = 225.8:
      O   HN    LEU  115 - HB3   LEU  115   3.20 +/- 0.41  84.347% * 98.7986% (0.90  10.0   7.54 226.06) =  99.868%  kept
          HN    ASP- 113 - HB3   LEU  115   6.57 +/- 0.77   9.998% *  1.0758% (0.28   1.0   0.70   0.02) =   0.129%  kept
          HN    PHE   97 - HB3   LEU  115  12.08 +/- 1.97   2.374% *  0.0988% (0.90   1.0   0.02   0.02) =   0.003%
          HN    PHE   97 - HB3   LEU   40  12.35 +/- 3.34   2.568% *  0.0116% (0.11   1.0   0.02   0.71) =   0.000%
          HN    LEU  115 - HB3   LEU   40  20.50 +/- 2.60   0.433% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  23.50 +/- 2.71   0.281% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 0.75, residual support = 2.15:
        T HA    LYS+ 112 - HB2   LEU  115   3.03 +/- 0.82  91.284% * 95.7532% (0.69 10.00   0.75   2.15) =  99.804%  kept
          HB2   HIS  122 - HB2   LEU  115  12.52 +/- 1.35   4.178% *  4.0205% (0.41  1.00   0.53   0.02) =   0.192%  kept
          HB    THR   46 - HB2   LEU  115  11.33 +/- 2.35   3.975% *  0.0736% (0.20  1.00   0.02   0.02) =   0.003%
          HB2   HIS   22 - HB2   LEU  115  22.99 +/- 4.70   0.563% *  0.1528% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.936, support = 1.74, residual support = 6.03:
          QE    PHE   95 - HB2   LEU  115   4.38 +/- 1.66  61.153% * 43.6726% (0.98   1.50   6.72) =  60.880%  kept
          QD    PHE   55 - HB2   LEU  115   7.52 +/- 2.63  31.391% * 54.5931% (0.87   2.12   4.96) =  39.065%  kept
          HN    LEU   67 - HB2   LEU  115  15.82 +/- 3.17   2.805% *  0.3843% (0.65   0.02   0.02) =   0.025%
          HE3   TRP   27 - HB2   LEU  115  18.97 +/- 2.88   0.931% *  0.4757% (0.80   0.02   0.02) =   0.010%
          HD1   TRP   49 - HB2   LEU  115  15.75 +/- 3.16   2.141% *  0.1834% (0.31   0.02   0.02) =   0.009%
          HN    THR   23 - HB2   LEU  115  21.65 +/- 3.18   0.629% *  0.5733% (0.97   0.02   0.02) =   0.008%
          HD2   HIS   22 - HB2   LEU  115  22.26 +/- 4.58   0.950% *  0.1176% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.71 A violated in 1 structures by 0.35 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.753, support = 7.17, residual support = 93.5:
          HN    GLN  116 - HB2   LEU  115   3.64 +/- 0.47  51.718% * 80.5794% (0.80   7.59 102.50) =  89.007%  kept
          HN    GLU- 114 - HB2   LEU  115   4.60 +/- 0.36  27.630% * 17.9289% (0.34   3.96  21.60) =  10.580%  kept
          HN    THR  118 - HB2   LEU  115   5.52 +/- 0.34  16.037% *  1.1321% (0.98   0.09   0.12) =   0.388%  kept
          HN    PHE   60 - HB2   LEU  115   8.87 +/- 1.25   4.452% *  0.2600% (0.98   0.02   0.02) =   0.025%
          HN    GLU-  15 - HB2   LEU  115  26.46 +/- 2.49   0.163% *  0.0996% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.895, support = 7.34, residual support = 225.5:
      O   HN    LEU  115 - HB2   LEU  115   2.32 +/- 0.26  92.239% * 97.0059% (0.90  10.0   7.36 226.06) =  99.773%  kept
          HN    ASP- 113 - HB2   LEU  115   5.56 +/- 0.62   6.990% *  2.8971% (0.28   1.0   1.93   0.02) =   0.226%  kept
          HN    PHE   97 - HB2   LEU  115  12.45 +/- 1.49   0.772% *  0.0970% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.611, support = 6.42, residual support = 78.3:
      O   HN    GLN  116 - HA    LEU  115   3.58 +/- 0.04  15.972% * 66.8189% (0.82  10.0   7.93 102.50) =  62.962%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.83 +/- 0.02  32.322% * 15.5789% (0.19  10.0   3.79  43.01) =  29.708%  kept
          HN    GLU- 114 - HA    LEU  115   5.04 +/- 0.10   5.783% * 12.9853% (0.70   1.0   4.56  21.60) =   4.430%  kept
          HN    GLN  116 - HA    GLU- 114   4.21 +/- 0.36  10.405% *  3.7846% (0.22   1.0   4.14   1.99) =   2.323%  kept
          HN    THR  118 - HA    LEU  115   3.25 +/- 0.37  22.943% *  0.3254% (0.67   1.0   0.12   0.12) =   0.440%  kept
          HN    THR  118 - HA    GLU- 114   4.87 +/- 0.64   7.804% *  0.2800% (0.18   1.0   0.38   0.11) =   0.129%  kept
          HN    PHE   60 - HA    ARG+  54   8.12 +/- 1.23   1.728% *  0.0216% (0.27   1.0   0.02   0.02) =   0.002%
          HN    PHE   60 - HA    LEU  115   9.54 +/- 0.85   0.942% *  0.0386% (0.47   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    ARG+  54  12.83 +/- 1.84   0.515% *  0.0375% (0.46   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    ARG+  54  14.33 +/- 1.45   0.291% *  0.0319% (0.39   1.0   0.02   0.02) =   0.001%
          HN    THR  118 - HA    ARG+  54  14.90 +/- 1.82   0.287% *  0.0306% (0.37   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    ARG+  54  19.79 +/- 4.34   0.509% *  0.0171% (0.21   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  19.01 +/- 2.01   0.120% *  0.0306% (0.37   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  13.49 +/- 0.91   0.312% *  0.0106% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  22.97 +/- 2.32   0.068% *  0.0084% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 7.49, residual support = 202.6:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.04  57.291% * 77.4403% (0.75  10.0   7.84 226.06) =  88.523%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.59 +/- 0.04  26.646% * 21.1881% (0.20  10.0   4.83  21.60) =  11.265%  kept
          HN    ASP- 113 - HA    GLU- 114   5.16 +/- 0.18   9.058% *  1.1487% (0.06   1.0   3.50  24.68) =   0.208%  kept
          HN    ASP- 113 - HA    LEU  115   6.83 +/- 0.22   3.882% *  0.0240% (0.23   1.0   0.02   0.02) =   0.002%
          HN    PHE   97 - HA    LEU  115  11.58 +/- 2.16   0.994% *  0.0774% (0.75   1.0   0.02   0.02) =   0.002%
          HN    LEU  115 - HA    ARG+  54  13.05 +/- 1.21   0.631% *  0.0434% (0.42   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    ARG+  54  18.30 +/- 2.83   0.282% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  14.43 +/- 1.96   0.487% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  13.48 +/- 2.12   0.729% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.775, support = 7.42, residual support = 224.8:
          HN    LEU  115 - HG    LEU  115   3.17 +/- 0.94  78.090% * 96.7126% (0.78   7.46 226.06) =  99.456%  kept
          HN    ASP- 113 - HG    LEU  115   5.72 +/- 1.39  14.244% *  2.8245% (0.24   0.70   0.02) =   0.530%  kept
          HN    PHE   97 - HG    LEU  115  13.26 +/- 1.93   2.634% *  0.2594% (0.78   0.02   0.02) =   0.009%
          HN    PHE   97 - HG    LEU   40  11.20 +/- 3.43   4.098% *  0.0881% (0.26   0.02   0.71) =   0.005%
          HN    LEU  115 - HG    LEU   40  18.96 +/- 2.29   0.549% *  0.0881% (0.26   0.02   0.02) =   0.001%
          HN    ASP- 113 - HG    LEU   40  21.94 +/- 2.45   0.384% *  0.0273% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115  10.62 +/- 1.83 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.88 A violated in 19 structures by 6.74 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.791, support = 1.76, residual support = 5.68:
          QD    PHE   55 - QD1   LEU  115   5.02 +/- 2.17  37.783% * 67.4078% (0.95   1.94   4.96) =  59.173%  kept
          QE    PHE   95 - QD1   LEU  115   3.50 +/- 1.61  56.377% * 31.1385% (0.57   1.50   6.72) =  40.787%  kept
          HE3   TRP   27 - QD1   LEU  115  15.23 +/- 2.45   1.113% *  0.7188% (0.98   0.02   0.02) =   0.019%
          HN    LEU   67 - QD1   LEU  115  12.23 +/- 2.52   3.475% *  0.1451% (0.20   0.02   0.02) =   0.012%
          HN    THR   23 - QD1   LEU  115  17.13 +/- 2.98   0.872% *  0.3858% (0.53   0.02   0.02) =   0.008%
          HN    LYS+  81 - QD1   LEU  115  16.85 +/- 1.75   0.379% *  0.2039% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.15 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 4.43, residual support = 29.6:
          QD    PHE   59 - QD1   LEU  115   3.09 +/- 0.59  85.118% * 98.7084% (0.95   4.44  29.62) =  99.929%  kept
          HH2   TRP   49 - QD1   LEU  115  11.01 +/- 3.16  12.810% *  0.3928% (0.84   0.02   0.02) =   0.060%
          HD1   TRP   27 - QD1   LEU  115  17.16 +/- 2.81   1.121% *  0.4449% (0.95   0.02   0.02) =   0.006%
          HE21  GLN   30 - QD1   LEU  115  16.90 +/- 2.66   0.951% *  0.4539% (0.97   0.02   0.02) =   0.005%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.31, residual support = 6.72:
          QD    PHE   95 - QD2   LEU  115   4.88 +/- 1.25  87.256% * 99.5116% (0.84   1.31   6.72) =  99.928%  kept
          HN    ALA   47 - QD2   LEU  115  10.69 +/- 1.77  12.744% *  0.4884% (0.27   0.02   0.02) =   0.072%
    Distance limit 3.48 A violated in 9 structures by 1.40 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.891, support = 2.77, residual support = 29.5:
          QE    PHE   59 - QD2   LEU  115   2.57 +/- 0.76  71.769% * 77.3281% (0.89   2.92  29.62) =  93.805%  kept
          HN    PHE   59 - QD2   LEU  115   4.80 +/- 0.90  22.147% * 15.3918% (0.93   0.56  29.62) =   5.762%  kept
          HN    HIS  122 - QD2   LEU  115   7.76 +/- 0.66   3.676% *  6.8073% (0.43   0.53   0.02) =   0.423%  kept
          HN    LYS+  66 - QD2   LEU  115  11.26 +/- 2.08   2.014% *  0.2574% (0.43   0.02   0.02) =   0.009%
          HH2   TRP   87 - QD2   LEU  115  16.07 +/- 1.95   0.395% *  0.2154% (0.36   0.02   0.02) =   0.001%
    Distance limit 2.92 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.606, support = 3.99, residual support = 16.0:
        T QD1   ILE  119 - HA    GLN  116   2.75 +/- 0.96  89.428% * 99.5742% (0.61 10.00   3.99  16.02) =  99.994%  kept
          HB    VAL   75 - HA    GLN  116  16.55 +/- 1.87   0.853% *  0.1553% (0.95  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    GLN  116  14.07 +/- 2.70   1.883% *  0.0560% (0.34  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    GLN  116  14.93 +/- 3.01   1.682% *  0.0616% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HA    GLN  116  11.40 +/- 1.50   2.678% *  0.0325% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    GLN  116  15.83 +/- 3.40   1.402% *  0.0507% (0.31  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    GLN  116  13.92 +/- 1.88   1.500% *  0.0409% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    GLN  116  19.06 +/- 2.77   0.574% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.29, residual support = 102.5:
          QD2   LEU  115 - HA    GLN  116   2.63 +/- 0.56  89.380% * 98.5595% (0.92   6.29 102.50) =  99.970%  kept
          QD1   LEU   63 - HA    GLN  116  10.12 +/- 2.54   4.071% *  0.3329% (0.98   0.02   0.02) =   0.015%
          QD2   LEU   63 - HA    GLN  116  10.46 +/- 3.01   3.490% *  0.1523% (0.45   0.02   0.02) =   0.006%
          QD1   LEU   73 - HA    GLN  116  16.10 +/- 3.56   1.049% *  0.3329% (0.98   0.02   0.02) =   0.004%
          QD1   LEU  104 - HA    GLN  116  14.65 +/- 2.89   1.339% *  0.2333% (0.69   0.02   0.02) =   0.004%
          QD2   LEU   80 - HA    GLN  116  20.13 +/- 2.53   0.287% *  0.3046% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    GLN  116  18.75 +/- 2.36   0.382% *  0.0847% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 16.0:
          HN    ILE  119 - HA    GLN  116   3.34 +/- 0.31  97.513% * 97.6766% (0.57   3.07  16.02) =  99.980%  kept
          HN    CYS   21 - HA    GLN  116  20.42 +/- 4.18   1.248% *  1.0831% (0.97   0.02   0.02) =   0.014%
          HN    LYS+  33 - HA    GLN  116  25.64 +/- 4.40   0.428% *  0.6354% (0.57   0.02   0.02) =   0.003%
          HN    ILE   89 - HA    GLN  116  19.49 +/- 2.00   0.537% *  0.3828% (0.34   0.02   0.02) =   0.002%
          HN    SER   37 - HA    GLN  116  26.63 +/- 3.88   0.274% *  0.2221% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.975, support = 6.79, residual support = 109.9:
      O   HN    GLN  116 - HA    GLN  116   2.73 +/- 0.05  72.297% * 88.6181% (0.98  10.0   6.93 113.21) =  97.071%  kept
          HN    THR  118 - HA    GLN  116   4.27 +/- 0.28  19.845% *  9.2117% (0.80   1.0   2.54   0.11) =   2.770%  kept
          HN    GLU- 114 - HA    GLN  116   6.69 +/- 0.28   4.982% *  2.0784% (0.84   1.0   0.55   1.99) =   0.157%  kept
          HN    PHE   60 - HA    GLN  116   8.97 +/- 1.39   2.646% *  0.0512% (0.57   1.0   0.02   0.02) =   0.002%
          HN    LEU   71 - HA    GLN  116  19.67 +/- 2.44   0.230% *  0.0405% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 0.721, residual support = 1.86:
          HA    ASP- 113 - HB2   GLN  116   3.20 +/- 0.47  86.084% * 44.7766% (0.49  1.00   0.75   1.94) =  95.688%  kept
        T HA    PRO   58 - HB2   GLN  116  11.65 +/- 2.40   3.499% * 42.8088% (0.41 10.00   0.08   0.02) =   3.719%  kept
          HA    ILE   56 - HB2   GLN  116   8.86 +/- 1.91   7.393% *  2.3674% (0.97  1.00   0.02   0.02) =   0.434%  kept
          HA    LEU  123 - HB2   GLN  116  12.53 +/- 0.93   1.846% *  2.4476% (1.00  1.00   0.02   0.02) =   0.112%  kept
          HA    LYS+  99 - HB2   GLN  116  22.37 +/- 2.40   0.320% *  2.0490% (0.84  1.00   0.02   0.02) =   0.016%
          HA    LEU   40 - HB2   GLN  116  22.40 +/- 3.45   0.385% *  1.3888% (0.57  1.00   0.02   0.02) =   0.013%
          HA    ASN   35 - HB2   GLN  116  28.36 +/- 3.86   0.173% *  2.3205% (0.95  1.00   0.02   0.02) =   0.010%
          HA    GLU-  15 - HB2   GLN  116  27.53 +/- 3.02   0.170% *  0.9207% (0.38  1.00   0.02   0.02) =   0.004%
          HA    SER   13 - HB2   GLN  116  31.54 +/- 3.92   0.130% *  0.9207% (0.38  1.00   0.02   0.02) =   0.003%
    Distance limit 3.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 6.97, residual support = 102.4:
          QD2   LEU  115 - HB2   GLN  116   3.76 +/- 0.81  78.940% * 97.5194% (0.45   6.98 102.50) =  99.877%  kept
          QD1   LEU   63 - HB2   GLN  116  11.77 +/- 2.85   8.941% *  0.4992% (0.80   0.02   0.02) =   0.058%
          QD2   LEU   63 - HB2   GLN  116  12.19 +/- 3.23   5.716% *  0.5755% (0.92   0.02   0.02) =   0.043%
          QD1   LEU   73 - HB2   GLN  116  17.76 +/- 3.53   1.845% *  0.4992% (0.80   0.02   0.02) =   0.012%
          QG2   VAL   41 - HB2   GLN  116  18.60 +/- 1.72   0.861% *  0.2340% (0.38   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB2   GLN  116  16.00 +/- 2.57   1.410% *  0.1388% (0.22   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   GLN  116  21.17 +/- 2.62   0.629% *  0.2563% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   98 - HB2   GLN  116  17.77 +/- 1.74   0.980% *  0.1388% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   80 - HB2   GLN  116  20.91 +/- 2.77   0.678% *  0.1388% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 102.5:
          QD2   LEU  115 - HG2   GLN  116   3.56 +/- 0.85  80.095% * 98.7320% (1.00   6.64 102.50) =  99.951%  kept
          QD1   LEU   63 - HG2   GLN  116  11.23 +/- 2.44   9.290% *  0.2485% (0.84   0.02   0.02) =   0.029%
          QD2   LEU   63 - HG2   GLN  116  11.69 +/- 2.75   6.241% *  0.0742% (0.25   0.02   0.02) =   0.006%
          QD1   LEU  104 - HG2   GLN  116  16.17 +/- 2.61   1.566% *  0.2668% (0.90   0.02   0.02) =   0.005%
          QD1   LEU   73 - HG2   GLN  116  17.36 +/- 3.57   1.578% *  0.2485% (0.84   0.02   0.02) =   0.005%
          QD2   LEU   80 - HG2   GLN  116  20.97 +/- 2.82   0.565% *  0.2968% (1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HG2   GLN  116  19.69 +/- 2.22   0.665% *  0.1334% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.646, support = 4.51, residual support = 113.1:
      O   HE21  GLN  116 - HG2   GLN  116   2.91 +/- 0.73  81.257% * 99.1526% (0.65  10.0   4.52 113.21) =  99.899%  kept
          HN    ALA  120 - HG2   GLN  116   6.35 +/- 0.82  13.523% *  0.5590% (0.28   1.0   0.26   0.15) =   0.094%
          HN    ALA   57 - HG2   GLN  116   9.58 +/- 2.11   4.569% *  0.1113% (0.73   1.0   0.02   0.02) =   0.006%
          HE21  GLN   90 - HG2   GLN  116  21.64 +/- 3.84   0.468% *  0.1502% (0.98   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HG2   GLN  116  29.25 +/- 3.96   0.184% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.804, support = 6.7, residual support = 109.2:
          HN    GLN  116 - HG2   GLN  116   3.29 +/- 0.48  68.362% * 84.5719% (0.80   6.92 113.21) =  96.439%  kept
          HN    THR  118 - HG2   GLN  116   5.95 +/- 0.83  15.073% * 12.1514% (0.98   0.81   0.11) =   3.055%  kept
          HN    GLU- 114 - HG2   GLN  116   6.54 +/- 0.97   9.901% *  2.8629% (0.34   0.55   1.99) =   0.473%  kept
          HN    PHE   60 - HG2   GLN  116  10.11 +/- 1.85   6.503% *  0.2993% (0.98   0.02   0.02) =   0.032%
          HN    GLU-  15 - HG2   GLN  116  27.64 +/- 2.76   0.160% *  0.1146% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.677, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HB2   GLN  116   8.36 +/- 1.09  37.515% * 15.3326% (0.76   0.02   0.02) =  49.114%  kept
          QD    PHE   55 - HB2   GLN  116   8.29 +/- 2.68  41.572% *  6.8436% (0.34   0.02   0.02) =  24.293%  kept
          HD1   TRP   49 - HB2   GLN  116  19.20 +/- 3.97   6.177% * 16.7579% (0.84   0.02   0.02) =   8.839%  kept
          HN    LEU   67 - HB2   GLN  116  18.19 +/- 2.99   5.118% * 20.0629% (1.00   0.02   0.02) =   8.768%  kept
          HD2   HIS   22 - HB2   GLN  116  25.16 +/- 5.87   3.471% * 13.7814% (0.69   0.02   0.02) =   4.084%  kept
          HN    THR   23 - HB2   GLN  116  24.80 +/- 4.15   2.203% * 16.0651% (0.80   0.02   0.02) =   3.023%  kept
          HE3   TRP   27 - HB2   GLN  116  22.49 +/- 3.24   2.857% *  5.5782% (0.28   0.02   0.02) =   1.361%  kept
          HD21  ASN   35 - HB2   GLN  116  29.61 +/- 3.83   1.086% *  5.5782% (0.28   0.02   0.02) =   0.517%  kept
    Distance limit 3.82 A violated in 18 structures by 3.18 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 = 112.2:
      O   HN    GLN  116 - HB2   GLN  116   2.15 +/- 0.10  85.863% * 89.7132% (0.98  10.0   7.52 113.21) =  99.123%  kept
          HN    GLU- 114 - HB2   GLN  116   5.07 +/- 0.40   7.065% *  6.5295% (0.84   1.0   1.71   1.99) =   0.594%  kept
          HN    THR  118 - HB2   GLN  116   5.36 +/- 0.34   5.996% *  3.6644% (0.80   1.0   1.00   0.11) =   0.283%  kept
          HN    PHE   60 - HB2   GLN  116  10.91 +/- 1.91   0.981% *  0.0518% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HB2   GLN  116  21.85 +/- 2.57   0.096% *  0.0410% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 28.2:
          HN    SER  117 - HB2   GLN  116   3.27 +/- 0.38  99.506% * 99.5621% (0.98   4.91  28.17) =  99.999%  kept
          HN    GLY   16 - HB2   GLN  116  26.33 +/- 2.91   0.237% *  0.3457% (0.84   0.02   0.02) =   0.001%
          HN    SER   82 - HB2   GLN  116  25.74 +/- 2.73   0.258% *  0.0922% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 28.2:
      O   HN    SER  117 - HA    GLN  116   3.58 +/- 0.04  99.251% * 99.8922% (0.98  10.0   4.91  28.17) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  24.10 +/- 2.89   0.381% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  24.88 +/- 2.49   0.368% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.92, support = 1.94, residual support = 5.11:
        T QB    ALA  120 - HA    SER  117   3.14 +/- 0.46  72.519% * 88.6882% (0.92 10.00   1.94   5.15) =  98.950%  kept
          HG    LEU  115 - HA    SER  117   7.79 +/- 0.69   5.937% *  6.5667% (0.92  1.00   1.44   2.29) =   0.600%  kept
          HB3   LEU  115 - HA    SER  117   7.79 +/- 0.31   5.377% *  3.4346% (0.38  1.00   1.85   2.29) =   0.284%  kept
          HD2   LYS+ 121 - HA    SER  117   7.79 +/- 1.93  13.649% *  0.7771% (0.18  1.00   0.90   0.02) =   0.163%  kept
        T QG2   THR   26 - HA    SER  117  22.55 +/- 3.80   0.295% *  0.2751% (0.28 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    SER  117  20.86 +/- 4.93   0.547% *  0.0989% (1.00  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    SER  117  19.59 +/- 4.48   0.598% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    SER  117  20.10 +/- 3.73   0.458% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  22.14 +/- 2.70   0.255% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  19.78 +/- 2.08   0.365% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.545, support = 1.79, residual support = 21.8:
          HE21  GLN  116 - HA    SER  117   5.37 +/- 1.69  34.006% * 81.3201% (0.65   2.10  28.17) =  72.441%  kept
          HN    ALA  120 - HA    SER  117   3.60 +/- 0.21  63.942% * 16.4257% (0.28   0.99   5.15) =  27.513%  kept
          HN    ALA   57 - HA    SER  117  13.22 +/- 1.65   1.421% *  0.8700% (0.73   0.02   0.02) =   0.032%
          HE21  GLN   90 - HA    SER  117  22.44 +/- 4.42   0.409% *  1.1744% (0.98   0.02   0.02) =   0.013%
          HD21  ASN   35 - HA    SER  117  28.58 +/- 5.33   0.223% *  0.2098% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 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   2.78 +/- 0.05  99.656% * 99.9049% (0.57  10.0   3.64  15.39) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  26.36 +/- 3.69   0.148% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  24.85 +/- 3.73   0.197% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.275, support = 0.02, residual support = 0.02:
          QD    PHE   55 - QB    SER  117  10.62 +/- 1.52   7.834% * 14.4446% (0.49   0.02   0.02) =  22.247%  kept
          HN    LYS+  81 - QB    SER   48  11.86 +/- 4.98  15.068% *  5.8981% (0.20   0.02   0.02) =  17.472%  kept
          HN    LYS+  81 - QB    SER   85   7.25 +/- 0.36  20.278% *  3.4992% (0.12   0.02   0.02) =  13.949%  kept
          QE    PHE   95 - QB    SER  117   8.26 +/- 0.99  14.254% *  4.5788% (0.15   0.02   0.02) =  12.831%  kept
          QD    PHE   60 - QB    SER  117  12.90 +/- 1.27   3.680% * 12.2000% (0.41   0.02   0.02) =   8.827%  kept
          QD    PHE   60 - QB    SER   48  11.02 +/- 3.34  11.330% *  3.1728% (0.11   0.02   0.02) =   7.067%  kept
          HE3   TRP   27 - QB    SER  117  20.39 +/- 3.14   1.131% * 16.8009% (0.57   0.02   0.02) =   3.737%  kept
          QD    PHE   55 - QB    SER   48  12.39 +/- 2.00   4.802% *  3.7566% (0.13   0.02   0.02) =   3.547%  kept
          HN    LYS+  81 - QB    SER  117  22.72 +/- 2.49   0.591% * 22.6789% (0.76   0.02   0.02) =   2.637%  kept
          HE3   TRP   27 - QB    SER   48  16.61 +/- 3.72   2.765% *  4.3694% (0.15   0.02   0.02) =   2.375%  kept
          QE    PHE   95 - QB    SER   48  11.26 +/- 3.17  10.023% *  1.1908% (0.04   0.02   0.02) =   2.346%  kept
          HE3   TRP   27 - QB    SER   85  16.73 +/- 4.48   2.762% *  2.5923% (0.09   0.02   0.02) =   1.408%  kept
          QD    PHE   60 - QB    SER   85  16.91 +/- 2.11   1.833% *  1.8824% (0.06   0.02   0.02) =   0.678%  kept
          QD    PHE   55 - QB    SER   85  19.33 +/- 2.56   1.240% *  2.2287% (0.08   0.02   0.02) =   0.543%  kept
          QE    PHE   95 - QB    SER   85  14.49 +/- 1.08   2.407% *  0.7065% (0.02   0.02   0.02) =   0.334%  kept
    Distance limit 3.88 A violated in 17 structures by 1.88 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.02, 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   4.02  41.77) = 100.000%  kept
    Distance limit 3.15 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 = 0.774, support = 2.53, residual support = 18.8:
          QG1   VAL  107 - HB    THR  118   3.48 +/- 2.67  64.400% * 53.5998% (0.98   1.47   3.54) =  72.827%  kept
          HG13  ILE  119 - HB    THR  118   5.25 +/- 0.65  28.679% * 44.7714% (0.22   5.39  59.97) =  27.090%  kept
          HD3   LYS+ 112 - HB    THR  118   9.63 +/- 1.77   5.679% *  0.6233% (0.84   0.02   0.02) =   0.075%
          QG1   VAL   24 - HB    THR  118  19.64 +/- 3.19   0.455% *  0.6888% (0.92   0.02   0.02) =   0.007%
          QG2   VAL   24 - HB    THR  118  18.78 +/- 3.31   0.473% *  0.1307% (0.18   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    THR  118  20.68 +/- 4.35   0.315% *  0.1861% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.541, support = 1.7, residual support = 10.6:
          QE    PHE   59 - HB    THR  118   3.29 +/- 0.83  81.485% * 33.9751% (0.45   1.80  12.22) =  80.052%  kept
          HN    HIS  122 - HB    THR  118   7.15 +/- 0.30  11.619% * 54.1621% (0.92   1.39   3.24) =  18.197%  kept
          HN    PHE   59 - HB    THR  118   8.70 +/- 1.30   5.338% * 11.1307% (0.84   0.32  12.22) =   1.718%  kept
          HH2   TRP   87 - HB    THR  118  17.47 +/- 3.97   1.557% *  0.7320% (0.87   0.02   0.02) =   0.033%
    Distance limit 4.01 A violated in 0 structures by 0.11 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   2.10 +/- 0.14  89.405% * 96.8391% (0.98  10.0   3.73  41.77) =  99.773%  kept
          HN    GLN  116 - HB    THR  118   5.17 +/- 0.43   6.509% *  2.9933% (0.80   1.0   0.76   0.11) =   0.225%  kept
          HN    PHE   60 - HB    THR  118   9.67 +/- 1.16   1.416% *  0.0968% (0.98   1.0   0.02   0.02) =   0.002%
          HN    GLU- 114 - HB    THR  118   7.12 +/- 0.76   2.612% *  0.0337% (0.34   1.0   0.02   0.11) =   0.001%
          HN    GLU-  15 - HB    THR  118  25.73 +/- 2.84   0.058% *  0.0371% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 5.07, residual support = 41.8:
      O T QG2   THR  118 - HA    THR  118   2.69 +/- 0.16 100.000% *100.0000% (0.14  10.0 10.00   5.07  41.77) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.456, support = 4.29, residual support = 38.6:
        T HG13  ILE  119 - HA    THR  118   6.42 +/- 0.56  30.447% * 76.1147% (0.20 10.00   6.06  59.97) =  62.197%  kept
          QG1   VAL  107 - HA    THR  118   5.20 +/- 2.71  60.787% * 23.1390% (0.88  1.00   1.38   3.54) =  37.750%  kept
          HD3   LYS+ 112 - HA    THR  118  11.92 +/- 1.62   5.172% *  0.2856% (0.75  1.00   0.02   0.02) =   0.040%
          QG1   VAL   24 - HA    THR  118  20.84 +/- 3.49   0.907% *  0.3156% (0.83  1.00   0.02   0.02) =   0.008%
          HB3   LEU   31 - HA    THR  118  21.28 +/- 5.47   1.478% *  0.0852% (0.22  1.00   0.02   0.02) =   0.003%
          QG2   VAL   24 - HA    THR  118  19.91 +/- 3.75   1.210% *  0.0599% (0.16  1.00   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 3 structures by 0.74 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.408, support = 2.28, residual support = 5.97:
        T HB3   LYS+ 121 - HA    THR  118   3.76 +/- 0.53  53.007% * 65.2460% (0.22 10.00   2.16   5.97) =  72.282%  kept
          HD2   LYS+ 121 - HA    THR  118   4.39 +/- 1.38  39.426% * 33.6148% (0.89  1.00   2.59   5.97) =  27.699%  kept
          QD    LYS+  66 - HA    THR  118  15.21 +/- 4.26   1.801% *  0.1900% (0.65  1.00   0.02   0.02) =   0.007%
          QG2   THR   26 - HA    THR  118  20.32 +/- 3.60   0.518% *  0.2593% (0.89  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HA    THR  118  17.91 +/- 2.15   0.497% *  0.2617% (0.90  1.00   0.02   0.02) =   0.003%
          HG    LEU  104 - HA    THR  118  13.83 +/- 5.36   1.598% *  0.0652% (0.22  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    THR  118  19.84 +/- 3.30   0.438% *  0.2186% (0.75  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HA    THR  118  12.08 +/- 1.64   1.529% *  0.0458% (0.16  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    THR  118  17.69 +/- 5.08   0.850% *  0.0583% (0.20  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    THR  118  20.36 +/- 2.89   0.337% *  0.0404% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.686, support = 0.02, residual support = 56.8:
        T HB    ILE  119 - HA    THR  118   5.67 +/- 0.11  55.556% * 57.0728% (0.69 10.00   0.02  59.97) =  94.714%  kept
          HB    VAL  108 - HA    THR  118  11.66 +/- 2.92   9.080% *  7.0645% (0.85  1.00   0.02   0.02) =   1.916%  kept
          HB2   PRO   93 - HA    THR  118  13.43 +/- 2.71   5.386% *  7.0645% (0.85  1.00   0.02   0.02) =   1.136%  kept
          HG2   PRO   58 - HA    THR  118  10.75 +/- 2.48  16.301% *  1.3079% (0.16  1.00   0.02   0.02) =   0.637%  kept
          HB2   ARG+  54 - HA    THR  118  18.13 +/- 2.04   2.228% *  7.3202% (0.88  1.00   0.02   0.02) =   0.487%  kept
          HB2   GLN   30 - HA    THR  118  21.43 +/- 4.61   2.740% *  5.7073% (0.69  1.00   0.02   0.02) =   0.467%  kept
          HB3   GLU- 100 - HA    THR  118  21.65 +/- 5.07   1.458% *  5.1298% (0.62  1.00   0.02   0.02) =   0.223%  kept
          HG3   GLN   30 - HA    THR  118  22.06 +/- 4.38   2.176% *  3.3482% (0.40  1.00   0.02   0.02) =   0.218%  kept
          HG3   PRO   52 - HA    THR  118  18.31 +/- 2.20   1.896% *  1.3079% (0.16  1.00   0.02   0.02) =   0.074%
          HB3   PRO   68 - HA    THR  118  20.44 +/- 4.66   2.105% *  1.1523% (0.14  1.00   0.02   0.02) =   0.072%
          HB2   GLU-  14 - HA    THR  118  26.83 +/- 4.45   0.784% *  1.6626% (0.20  1.00   0.02   0.02) =   0.039%
          HG2   MET   11 - HA    THR  118  35.35 +/- 5.22   0.291% *  1.8622% (0.22  1.00   0.02   0.02) =   0.016%
    Distance limit 3.88 A violated in 19 structures by 1.67 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 6.36, residual support = 59.9:
        T HG12  ILE  119 - HA    THR  118   5.40 +/- 0.25  79.473% * 98.7917% (0.40 10.00   6.36  59.97) =  99.951%  kept
          HB2   ASP-  44 - HA    THR  118  14.21 +/- 2.76   7.627% *  0.2084% (0.85  1.00   0.02   0.02) =   0.020%
          HB3   PHE   72 - HA    THR  118  16.80 +/- 3.35   5.073% *  0.1911% (0.78  1.00   0.02   0.02) =   0.012%
          QG    GLN   90 - HA    THR  118  17.51 +/- 3.20   3.173% *  0.1764% (0.72  1.00   0.02   0.02) =   0.007%
          QG    GLU-  14 - HA    THR  118  23.67 +/- 4.50   1.765% *  0.2034% (0.83  1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - HA    THR  118  23.37 +/- 3.37   1.268% *  0.2184% (0.89  1.00   0.02   0.02) =   0.004%
          QB    MET   11 - HA    THR  118  31.06 +/- 4.28   0.527% *  0.1764% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  25.69 +/- 4.55   1.094% *  0.0340% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 8 structures by 1.51 A, kept.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.87, residual support = 41.8:
      O T HB    THR  118 - HA    THR  118   3.00 +/- 0.06  96.239% * 99.8099% (0.72  10.0 10.00   3.87  41.77) =  99.999%  kept
          HA    PHE   60 - HA    THR  118  12.02 +/- 1.77   2.214% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    THR  118  17.16 +/- 3.19   0.727% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  24.45 +/- 5.03   0.280% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  21.91 +/- 4.13   0.348% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  26.24 +/- 3.95   0.193% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.845, support = 0.02, residual support = 10.7:
          QD    PHE   59 - HA    THR  118   6.85 +/- 0.41  86.804% * 25.6201% (0.85   0.02  12.22) =  87.214%  kept
          HE21  GLN   30 - HA    THR  118  21.34 +/- 4.14   4.262% * 26.1376% (0.87   0.02   0.02) =   4.368%  kept
          HH2   TRP   49 - HA    THR  118  19.72 +/- 3.24   4.750% * 22.6222% (0.75   0.02   0.02) =   4.214%  kept
          HD1   TRP   27 - HA    THR  118  22.35 +/- 4.23   4.185% * 25.6201% (0.85   0.02   0.02) =   4.204%  kept
    Distance limit 3.52 A violated in 20 structures by 3.32 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.466, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   7.08 +/- 0.23  90.596% * 43.4534% (0.47   0.02   0.02) =  92.671%  kept
          HZ2   TRP   49 - HA    THR  118  19.55 +/- 3.05   6.607% * 40.2018% (0.44   0.02   0.02) =   6.253%  kept
          HE21  GLN   17 - HA    THR  118  24.50 +/- 3.54   2.797% * 16.3448% (0.18   0.02   0.02) =   1.076%  kept
    Distance limit 3.92 A violated in 20 structures by 3.15 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 7.04, residual support = 60.0:
      O   HN    ILE  119 - HA    THR  118   3.54 +/- 0.04  96.926% * 99.6357% (0.51  10.0   7.04  59.97) =  99.997%  kept
          HN    CYS   21 - HA    THR  118  21.12 +/- 4.03   0.913% *  0.1698% (0.87   1.0   0.02   0.02) =   0.002%
          HN    LYS+  33 - HA    THR  118  24.04 +/- 5.27   0.733% *  0.0996% (0.51   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HA    THR  118  18.31 +/- 3.46   0.974% *  0.0600% (0.31   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HA    THR  118  24.66 +/- 5.08   0.453% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.507, support = 4.62, residual support = 41.7:
      O   HN    THR  118 - HA    THR  118   2.84 +/- 0.02  91.925% * 97.4716% (0.51  10.0   4.62  41.77) =  99.841%  kept
          HN    GLN  116 - HA    THR  118   6.98 +/- 0.23   6.266% *  2.2412% (0.28   1.0   0.84   0.11) =   0.156%  kept
          HN    PHE   60 - HA    THR  118  11.53 +/- 1.18   1.651% *  0.1379% (0.72   1.0   0.02   0.02) =   0.003%
          HN    GLU-  15 - HA    THR  118  26.21 +/- 3.71   0.158% *  0.1493% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.388, support = 3.98, residual support = 43.3:
      O T HA    THR  118 - HB    THR  118   3.00 +/- 0.06  70.884% * 72.9939% (0.38  10.0 10.00   3.87  41.77) =  91.557%  kept
          HA    ILE  119 - HB    THR  118   4.82 +/- 0.27  17.919% * 26.5915% (0.53   1.0  1.00   5.20  59.97) =   8.432%  kept
          HD3   PRO   58 - HB    THR  118  10.29 +/- 1.93   3.354% *  0.0947% (0.49   1.0  1.00   0.02   0.02) =   0.006%
          HA2   GLY  109 - HB    THR  118  10.27 +/- 2.75   6.486% *  0.0300% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - HB    THR  118  16.69 +/- 2.22   0.514% *  0.1486% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    THR  118  19.84 +/- 2.97   0.433% *  0.0872% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB    THR  118  17.59 +/- 2.49   0.409% *  0.0541% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.568, support = 4.82, residual support = 35.1:
          HG13  ILE  119 - QG2   THR  118   4.49 +/- 0.72  32.945% * 69.3639% (0.62   6.12  59.97) =  55.944%  kept
          QG1   VAL  107 - QG2   THR  118   3.57 +/- 2.45  60.515% * 29.7087% (0.51   3.18   3.54) =  44.013%  kept
          HD3   LYS+ 112 - QG2   THR  118   9.31 +/- 1.67   3.892% *  0.3184% (0.87   0.02   0.02) =   0.030%
          HB3   LEU   31 - QG2   THR  118  15.94 +/- 3.86   0.909% *  0.2396% (0.65   0.02   0.02) =   0.005%
          QG1   VAL   24 - QG2   THR  118  15.64 +/- 2.71   0.684% *  0.2959% (0.80   0.02   0.02) =   0.005%
          QB    ALA   20 - QG2   THR  118  14.24 +/- 2.61   1.056% *  0.0735% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.25 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.277, support = 2.24, residual support = 4.94:
        T HB3   ASP- 105 - QG2   THR  118   6.32 +/- 4.60  31.162% * 81.8499% (0.25 10.00   2.36   5.21) =  90.404%  kept
          QB    LYS+ 106 - QG2   THR  118   6.90 +/- 2.99  16.916% * 11.6485% (0.51  1.00   1.40   3.28) =   6.984%  kept
          HB3   PRO   58 - QG2   THR  118   8.82 +/- 2.13  13.778% *  4.7954% (0.62  1.00   0.47   0.02) =   2.342%  kept
          HB    ILE   56 - QG2   THR  118   7.65 +/- 1.28  16.947% *  0.2785% (0.85  1.00   0.02   0.02) =   0.167%  kept
          HB2   MET   92 - QG2   THR  118  13.09 +/- 1.71   2.502% *  0.2554% (0.78  1.00   0.02   0.02) =   0.023%
          HB3   GLN   30 - QG2   THR  118  16.06 +/- 3.00   2.121% *  0.2841% (0.87  1.00   0.02   0.02) =   0.021%
          QB    LYS+  33 - QG2   THR  118  16.84 +/- 3.76   2.892% *  0.1105% (0.34  1.00   0.02   0.02) =   0.011%
          QB    LYS+  81 - QG2   THR  118  16.72 +/- 2.06   1.905% *  0.1549% (0.47  1.00   0.02   0.02) =   0.010%
          HG2   ARG+  54 - QG2   THR  118  13.54 +/- 2.13   3.608% *  0.0734% (0.22  1.00   0.02   0.02) =   0.009%
          HB3   LYS+  38 - QG2   THR  118  18.84 +/- 2.99   0.758% *  0.2937% (0.89  1.00   0.02   0.02) =   0.008%
          HB3   GLN   90 - QG2   THR  118  15.42 +/- 2.33   1.632% *  0.1320% (0.40  1.00   0.02   0.02) =   0.008%
          HB    ILE  103 - QG2   THR  118  11.47 +/- 3.95   2.735% *  0.0655% (0.20  1.00   0.02   0.02) =   0.006%
          HG3   PRO   68 - QG2   THR  118  14.87 +/- 4.02   3.045% *  0.0583% (0.18  1.00   0.02   0.02) =   0.006%
    Distance limit 3.50 A violated in 5 structures by 0.98 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.638, support = 3.77, residual support = 29.2:
        T HB2   ASP- 105 - QG2   THR  118   5.82 +/- 4.53  38.921% * 61.3180% (0.51 10.00   1.65   5.21) =  56.143%  kept
          HG12  ILE  119 - QG2   THR  118   3.55 +/- 0.71  48.946% * 38.0746% (0.80  1.00   6.49  59.97) =  43.840%  kept
          HB2   ASP-  44 - QG2   THR  118   9.48 +/- 2.37   5.405% *  0.0491% (0.34  1.00   0.02   0.02) =   0.006%
          HG3   MET   92 - QG2   THR  118  13.70 +/- 1.92   1.068% *  0.1208% (0.83  1.00   0.02   0.02) =   0.003%
          HB3   PHE   72 - QG2   THR  118  12.07 +/- 2.33   1.833% *  0.0637% (0.44  1.00   0.02   0.02) =   0.003%
          QG    GLN   90 - QG2   THR  118  13.27 +/- 2.31   1.208% *  0.0741% (0.51  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QG2   THR  118  19.49 +/- 3.40   0.339% *  0.1283% (0.88  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - QG2   THR  118  15.34 +/- 2.22   0.795% *  0.0447% (0.31  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   THR  118  18.31 +/- 3.47   0.497% *  0.0538% (0.37  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   THR  118  16.52 +/- 3.58   0.571% *  0.0364% (0.25  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  18.14 +/- 2.38   0.417% *  0.0364% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.397, support = 5.23, residual support = 49.7:
      O T HA    THR  118 - QG2   THR  118   2.69 +/- 0.16  55.843% * 40.7368% (0.34  10.0 10.00   5.07  41.77) =  55.440%  kept
        T HA    ILE  119 - QG2   THR  118   3.37 +/- 0.33  31.790% * 57.1060% (0.47   1.0 10.00   5.46  59.97) =  44.243%  kept
          HD3   PRO   58 - QG2   THR  118   8.57 +/- 2.00   6.504% *  1.9787% (0.44   1.0  1.00   0.75   0.02) =   0.314%  kept
          HA2   GLY  109 - QG2   THR  118   9.66 +/- 2.45   4.217% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   75 - QG2   THR  118  13.09 +/- 2.19   0.674% *  0.0830% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   THR  118  16.76 +/- 2.70   0.491% *  0.0487% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QG2   THR  118  14.26 +/- 2.50   0.482% *  0.0302% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.02, residual support = 41.8:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  94.398% * 99.8099% (0.72  10.0 10.00   4.02  41.77) =  99.998%  kept
          HA    PHE   60 - QG2   THR  118   7.92 +/- 1.60   4.296% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - QG2   THR  118  12.61 +/- 2.62   0.695% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  18.94 +/- 3.34   0.191% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  16.71 +/- 2.60   0.260% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  20.38 +/- 3.12   0.160% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 0.982, residual support = 3.24:
          HD2   HIS  122 - QG2   THR  118   3.42 +/- 0.19  86.950% * 96.5018% (0.90   0.98   3.24) =  99.798%  kept
          HE22  GLN  116 - QG2   THR  118   8.72 +/- 0.90   6.033% *  1.9563% (0.89   0.02   0.11) =   0.140%  kept
          QD    PHE   45 - QG2   THR  118   9.49 +/- 2.18   6.240% *  0.7359% (0.34   0.02   0.02) =   0.055%
          HE22  GLN   17 - QG2   THR  118  19.03 +/- 2.97   0.777% *  0.8060% (0.37   0.02   0.02) =   0.007%
    Distance limit 3.07 A violated in 0 structures by 0.36 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 4.37, residual support = 12.2:
          QD    PHE   59 - QG2   THR  118   4.03 +/- 0.76  90.671% * 98.6879% (0.85   4.37  12.22) =  99.955%  kept
          HD1   TRP   27 - QG2   THR  118  16.55 +/- 3.19   3.596% *  0.4519% (0.85   0.02   0.02) =   0.018%
          HH2   TRP   49 - QG2   THR  118  14.79 +/- 2.62   3.191% *  0.3991% (0.75   0.02   0.02) =   0.014%
          HE21  GLN   30 - QG2   THR  118  15.83 +/- 3.01   2.543% *  0.4611% (0.87   0.02   0.02) =   0.013%
    Distance limit 3.50 A violated in 2 structures by 0.63 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.46, residual support = 60.0:
        T QG2   THR  118 - HA    ILE  119   3.37 +/- 0.33 100.000% *100.0000% (0.57 10.00   5.46  59.97) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.516, support = 4.49, residual support = 32.7:
          QB    ALA  120 - HA    ILE  119   4.98 +/- 0.03  37.394% * 49.9951% (0.45   5.30  52.42) =  55.455%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.35 +/- 0.70  32.014% * 45.5771% (0.61   3.57   8.05) =  43.281%  kept
          HG    LEU  115 - HA    ILE  119   7.39 +/- 0.76  12.895% *  3.0160% (0.45   0.32  10.06) =   1.154%  kept
          HB3   LEU   40 - HA    ILE  119  16.50 +/- 5.05   4.070% *  0.2893% (0.69   0.02   0.02) =   0.035%
          QD    LYS+  66 - HA    ILE  119  12.45 +/- 3.94   8.814% *  0.1050% (0.25   0.02   0.02) =   0.027%
          HG2   LYS+  65 - HA    ILE  119  14.67 +/- 2.16   1.861% *  0.2893% (0.69   0.02   0.02) =   0.016%
          QG2   THR   26 - HA    ILE  119  18.33 +/- 4.16   1.663% *  0.3218% (0.76   0.02   0.02) =   0.016%
          HB2   LYS+  74 - HA    ILE  119  17.52 +/- 3.13   1.288% *  0.4064% (0.97   0.02   0.02) =   0.016%
    Distance limit 3.90 A violated in 0 structures by 0.57 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.34, residual support = 23.3:
          QD    PHE   59 - HA    ILE  119   3.88 +/- 0.27  95.448% * 97.5779% (0.95   2.34  23.33) =  99.960%  kept
          HE21  GLN   30 - HA    ILE  119  19.07 +/- 4.55   1.723% *  0.8512% (0.97   0.02   0.02) =   0.016%
          HD1   TRP   27 - HA    ILE  119  20.82 +/- 4.51   1.459% *  0.8343% (0.95   0.02   0.02) =   0.013%
          HH2   TRP   49 - HA    ILE  119  18.53 +/- 3.30   1.370% *  0.7367% (0.84   0.02   0.02) =   0.011%
    Distance limit 3.31 A violated in 0 structures by 0.56 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.55, residual support = 267.4:
      O   HN    ILE  119 - HA    ILE  119   2.79 +/- 0.05  97.499% * 99.7485% (0.98  10.0   8.55 267.37) =  99.998%  kept
          HN    CYS   21 - HA    ILE  119  18.50 +/- 4.54   1.364% *  0.0850% (0.84   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HA    ILE  119  19.36 +/- 2.85   0.366% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  23.44 +/- 4.59   0.242% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  22.57 +/- 5.23   0.531% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.305, support = 5.58, residual support = 41.8:
      O   HN    ALA  120 - HA    ILE  119   3.59 +/- 0.02  68.982% * 58.2780% (0.18  10.0   6.26  52.42) =  79.200%  kept
          HN    LEU  123 - HA    ILE  119   4.99 +/- 0.28  26.421% * 39.6878% (0.80   1.0   2.98   1.35) =  20.658%  kept
          HN    ALA  124 - HA    ILE  119   9.19 +/- 0.31   4.146% *  1.7015% (0.98   1.0   0.10   0.02) =   0.139%  kept
          HE21  GLN   17 - HA    ILE  119  21.48 +/- 3.64   0.452% *  0.3328% (1.00   1.0   0.02   0.02) =   0.003%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3308 (4.02, 2.03, 38.31 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 2.5, residual support = 16.0:
          HA    GLN  116 - HB    ILE  119   2.98 +/- 0.70  96.397% * 96.5233% (0.84   2.50  16.02) =  99.983%  kept
          HA    VAL   70 - HB    ILE  119  18.06 +/- 3.31   0.791% *  0.7728% (0.84   0.02   0.02) =   0.007%
          HA    VAL   18 - HB    ILE  119  19.19 +/- 3.20   0.597% *  0.4213% (0.46   0.02   0.02) =   0.003%
          HA    LYS+  33 - HB    ILE  119  26.17 +/- 5.23   0.361% *  0.5815% (0.63   0.02   0.02) =   0.002%
          HB2   SER   37 - HB    ILE  119  24.46 +/- 4.03   0.283% *  0.5180% (0.56   0.02   0.02) =   0.002%
          HA    GLU-  29 - HB    ILE  119  26.02 +/- 4.71   0.309% *  0.4534% (0.49   0.02   0.02) =   0.002%
          HB2   SER   82 - HB    ILE  119  26.61 +/- 3.59   0.278% *  0.3590% (0.39   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    ILE  119  22.32 +/- 3.78   0.391% *  0.2472% (0.27   0.02   0.02) =   0.001%
          HA    SER   48 - HB    ILE  119  19.72 +/- 3.28   0.595% *  0.1236% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.516, support = 4.99, residual support = 51.0:
          HN    ALA  120 - HB    ILE  119   2.83 +/- 0.17  63.244% * 83.6520% (0.53   5.13  52.42) =  96.648%  kept
          HE21  GLN  116 - HB    ILE  119   4.88 +/- 1.54  24.292% *  4.0628% (0.22   0.61  16.02) =   1.803%  kept
          HN    LEU  123 - HB    ILE  119   5.91 +/- 0.49   7.350% * 11.3797% (0.27   1.37   1.35) =   1.528%  kept
          HN    ALA  124 - HB    ILE  119   9.54 +/- 0.66   1.737% *  0.4301% (0.69   0.02   0.02) =   0.014%
          HN    ALA   57 - HB    ILE  119   9.47 +/- 1.84   3.192% *  0.1063% (0.17   0.02   0.02) =   0.006%
          HE21  GLN   17 - HB    ILE  119  22.96 +/- 3.64   0.184% *  0.3690% (0.60   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.57, residual support = 267.4:
      O   HN    ILE  119 - HB    ILE  119   2.36 +/- 0.17  98.873% * 99.7485% (0.85  10.0   7.57 267.37) =  99.999%  kept
          HN    CYS   21 - HB    ILE  119  19.89 +/- 4.65   0.668% *  0.0850% (0.72   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB    ILE  119  20.29 +/- 2.28   0.170% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.57 +/- 4.49   0.114% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  24.68 +/- 5.01   0.176% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.558, support = 3.79, residual support = 51.4:
          HA    ALA  120 - QG2   ILE  119   3.59 +/- 0.30  73.170% * 85.1223% (0.57   3.84  52.42) =  97.756%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.48 +/- 0.14  13.114% * 10.4567% (0.20   1.35   8.05) =   2.152%  kept
          HA    LYS+  65 - QG2   ILE  119  12.03 +/- 1.95   2.475% *  0.7402% (0.95   0.02   0.02) =   0.029%
          HD2   PRO   52 - QG2   ILE  119  13.97 +/- 2.07   1.889% *  0.5980% (0.76   0.02   0.02) =   0.018%
          QB    SER   48 - QG2   ILE  119  15.76 +/- 3.00   2.369% *  0.2669% (0.34   0.02   0.02) =   0.010%
          HA2   GLY   16 - QG2   ILE  119  17.95 +/- 3.26   0.735% *  0.7018% (0.90   0.02   0.02) =   0.008%
          QB    SER   85 - QG2   ILE  119  19.63 +/- 1.97   0.564% *  0.7018% (0.90   0.02   0.02) =   0.006%
          HA    SER   48 - QG2   ILE  119  16.50 +/- 2.86   1.428% *  0.2415% (0.31   0.02   0.02) =   0.005%
          HA    GLN   32 - QG2   ILE  119  20.77 +/- 4.35   0.724% *  0.4430% (0.57   0.02   0.02) =   0.005%
          HB    THR   94 - QG2   ILE  119  13.27 +/- 1.33   1.612% *  0.1951% (0.25   0.02   0.02) =   0.005%
          HA    ALA   88 - QG2   ILE  119  19.95 +/- 1.87   0.465% *  0.4117% (0.53   0.02   0.02) =   0.003%
          HA2   GLY   51 - QG2   ILE  119  15.08 +/- 2.02   1.455% *  0.1207% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.61 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.557, support = 5.34, residual support = 43.9:
          HN    ALA  120 - QG2   ILE  119   3.45 +/- 0.33  37.949% * 74.6754% (0.61   5.74  52.42) =  83.242%  kept
          HN    LEU  123 - QG2   ILE  119   4.15 +/- 0.39  24.074% * 22.8886% (0.31   3.46   1.35) =  16.185%  kept
          HE21  GLN  116 - QG2   ILE  119   4.98 +/- 1.36  20.016% *  0.5259% (0.25   0.10  16.02) =   0.309%  kept
          HN    ALA  124 - QG2   ILE  119   6.89 +/- 0.45   5.108% *  1.5306% (0.80   0.09   0.02) =   0.230%  kept
          HN    ALA   57 - QG2   ILE  119   7.37 +/- 1.92  12.486% *  0.0849% (0.20   0.02   0.02) =   0.031%
          HE21  GLN   17 - QG2   ILE  119  17.85 +/- 3.21   0.367% *  0.2946% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.52 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 = 267.3:
          HN    ILE  119 - QG2   ILE  119   3.65 +/- 0.12  87.332% * 99.2713% (0.80   7.84 267.37) =  99.980%  kept
          HN    CYS   21 - QG2   ILE  119  15.70 +/- 4.35  11.002% *  0.1079% (0.34   0.02   0.02) =   0.014%
          HN    ILE   89 - QG2   ILE  119  17.69 +/- 1.87   0.859% *  0.3053% (0.97   0.02   0.02) =   0.003%
          HN    SER   37 - QG2   ILE  119  20.48 +/- 3.87   0.806% *  0.3156% (1.00   0.02   0.02) =   0.003%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3314 (0.60, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 1.88, residual support = 10.0:
          QD2   LEU  115 - HG12  ILE  119   3.02 +/- 0.59  74.974% * 95.5516% (0.90   1.89  10.06) =  99.761%  kept
          QD1   LEU   63 - HG12  ILE  119   8.27 +/- 2.54  16.840% *  0.6399% (0.57   0.02   0.02) =   0.150%  kept
          QD1   LEU  104 - HG12  ILE  119  13.05 +/- 3.77   2.712% *  1.1302% (1.00   0.02   0.02) =   0.043%
          QD1   LEU   73 - HG12  ILE  119  14.12 +/- 3.79   2.897% *  0.6399% (0.57   0.02   0.02) =   0.026%
          QG1   VAL   83 - HG12  ILE  119  17.15 +/- 3.10   0.842% *  0.8207% (0.73   0.02   0.02) =   0.010%
          QD2   LEU   80 - HG12  ILE  119  18.61 +/- 2.65   0.517% *  1.0433% (0.92   0.02   0.02) =   0.008%
          QG2   ILE   89 - HG12  ILE  119  13.30 +/- 1.52   1.218% *  0.1744% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 2.9, residual support = 10.0:
          QD2   LEU  115 - HG13  ILE  119   3.24 +/- 0.86  66.761% * 97.0696% (0.90   2.91  10.06) =  99.768%  kept
          QD1   LEU   63 - HG13  ILE  119   7.92 +/- 2.57  21.934% *  0.4215% (0.57   0.02   0.02) =   0.142%  kept
          QD1   LEU  104 - HG13  ILE  119  13.31 +/- 3.74   3.846% *  0.7445% (1.00   0.02   0.02) =   0.044%
          QD1   LEU   73 - HG13  ILE  119  14.18 +/- 3.81   5.166% *  0.4215% (0.57   0.02   0.02) =   0.034%
          QD2   LEU   80 - HG13  ILE  119  18.79 +/- 2.59   0.469% *  0.6873% (0.92   0.02   0.02) =   0.005%
          QG1   VAL   83 - HG13  ILE  119  17.48 +/- 2.94   0.590% *  0.5407% (0.73   0.02   0.02) =   0.005%
          QG2   ILE   89 - HG13  ILE  119  13.71 +/- 1.38   1.233% *  0.1149% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.96 A violated in 0 structures by 0.05 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  12.33 +/- 2.67 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.67 A violated in 20 structures by 8.66 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.61, residual support = 23.3:
          QD    PHE   59 - HG13  ILE  119   2.79 +/- 0.75  97.960% * 98.4176% (0.95   3.61  23.33) =  99.989%  kept
          HD1   TRP   27 - HG13  ILE  119  20.72 +/- 4.27   0.721% *  0.5451% (0.95   0.02   0.02) =   0.004%
          HH2   TRP   49 - HG13  ILE  119  16.83 +/- 3.30   0.807% *  0.4813% (0.84   0.02   0.02) =   0.004%
          HE21  GLN   30 - HG13  ILE  119  19.33 +/- 4.11   0.511% *  0.5561% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.94, residual support = 267.3:
          HN    ILE  119 - HG13  ILE  119   3.30 +/- 0.67  93.526% * 99.2809% (0.80   7.94 267.37) =  99.990%  kept
          HN    CYS   21 - HG13  ILE  119  18.08 +/- 4.41   5.322% *  0.1065% (0.34   0.02   0.02) =   0.006%
          HN    ILE   89 - HG13  ILE  119  18.87 +/- 2.22   0.759% *  0.3012% (0.97   0.02   0.02) =   0.002%
          HN    SER   37 - HG13  ILE  119  24.34 +/- 3.76   0.394% *  0.3114% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.15, residual support = 23.3:
          QD    PHE   59 - HG12  ILE  119   2.76 +/- 0.56  98.389% * 99.0669% (0.84   4.15  23.33) =  99.996%  kept
          HD1   TRP   27 - HG12  ILE  119  20.72 +/- 3.92   0.375% *  0.4780% (0.84   0.02   0.02) =   0.002%
          HH2   TRP   49 - HG12  ILE  119  16.92 +/- 3.20   0.845% *  0.1766% (0.31   0.02   0.02) =   0.002%
          HE21  GLN   30 - HG12  ILE  119  19.46 +/- 3.92   0.392% *  0.2785% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.62, residual support = 267.4:
          HN    ILE  119 - HG12  ILE  119   2.42 +/- 0.45  98.597% * 99.3366% (0.80   8.62 267.37) =  99.998%  kept
          HN    ILE   89 - HG12  ILE  119  18.29 +/- 2.53   0.382% *  0.2779% (0.97   0.02   0.02) =   0.001%
          HN    CYS   21 - HG12  ILE  119  18.30 +/- 4.03   0.879% *  0.0982% (0.34   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE  119  24.34 +/- 3.72   0.143% *  0.2873% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119  10.55 +/- 2.34 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.12 A violated in 20 structures by 7.42 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.396, support = 4.31, residual support = 10.0:
          QD2   LEU  115 - QD1   ILE  119   2.41 +/- 0.85  76.510% * 88.1592% (0.40  1.00   4.33  10.06) =  99.385%  kept
        T QD1   LEU   63 - QD1   ILE  119   6.78 +/- 1.87  18.012% *  1.5266% (0.15 10.00   0.02   0.02) =   0.405%  kept
        T QD1   LEU  104 - QD1   ILE  119  11.80 +/- 2.71   1.547% *  6.7965% (0.66 10.00   0.02   0.02) =   0.155%  kept
        T QD1   LEU   73 - QD1   ILE  119  11.90 +/- 3.05   1.327% *  1.5266% (0.15 10.00   0.02   0.02) =   0.030%
          QG2   ILE   89 - QD1   ILE  119  11.45 +/- 1.12   1.379% *  0.5602% (0.55  1.00   0.02   0.02) =   0.011%
          QG1   VAL   83 - QD1   ILE  119  14.72 +/- 2.37   0.651% *  0.9872% (0.96  1.00   0.02   0.02) =   0.009%
          QD2   LEU   80 - QD1   ILE  119  15.64 +/- 2.26   0.574% *  0.4436% (0.43  1.00   0.02   0.02) =   0.004%
    Distance limit 2.60 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.99, residual support = 16.0:
        T HA    GLN  116 - QD1   ILE  119   2.75 +/- 0.96  90.574% * 99.4587% (0.51 10.00   3.99  16.02) =  99.991%  kept
          HA    VAL   70 - QD1   ILE  119  14.09 +/- 2.55   4.157% *  0.0995% (0.51  1.00   0.02   0.02) =   0.005%
          HA1   GLY   16 - QD1   ILE  119  17.63 +/- 2.87   1.185% *  0.1514% (0.77  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QD1   ILE  119  19.77 +/- 3.03   0.735% *  0.1886% (0.96  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QD1   ILE  119  14.61 +/- 2.61   1.995% *  0.0256% (0.13  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QD1   ILE  119  21.12 +/- 3.81   0.662% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  20.69 +/- 3.65   0.691% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.819, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119  10.71 +/- 2.59  49.764% * 81.6578% (0.96 10.00   0.02   0.02) =  81.516%  kept
        T QD    PHE   72 - QD1   ILE  119  10.51 +/- 1.82  50.236% * 18.3422% (0.21 10.00   0.02   0.02) =  18.484%  kept
    Distance limit 3.36 A violated in 19 structures by 5.89 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.61, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   5.95 +/- 1.58  64.884% * 23.3518% (0.47   0.02   0.02) =  54.265%  kept
          HN    ALA   47 - QD1   ILE  119  11.86 +/- 1.60  13.828% * 47.5501% (0.96   0.02   0.02) =  23.550%  kept
          QE    PHE   72 - QD1   ILE  119   9.75 +/- 2.10  21.288% * 29.0981% (0.59   0.02   0.02) =  22.185%  kept
    Distance limit 3.41 A violated in 16 structures by 2.40 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.858, support = 1.61, residual support = 19.8:
          HN    HIS  122 - QD1   ILE  119   6.00 +/- 0.56  26.859% * 98.2675% (0.87   1.63  19.73) =  98.692%  kept
          HN    PHE   59 - QD1   ILE  119   4.02 +/- 0.80  71.432% *  0.4592% (0.33   0.02  23.33) =   1.226%  kept
          HH2   TRP   87 - QD1   ILE  119  16.72 +/- 2.38   1.709% *  1.2734% (0.91   0.02   0.02) =   0.081%
    Distance limit 3.56 A violated in 0 structures by 0.44 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 7.02, residual support = 267.3:
          HN    ILE  119 - QD1   ILE  119   3.49 +/- 0.28  92.165% * 99.2865% (0.95   7.02 267.37) =  99.981%  kept
          HN    CYS   21 - QD1   ILE  119  14.96 +/- 3.65   5.102% *  0.2411% (0.81   0.02   0.02) =   0.013%
          HN    ILE   89 - QD1   ILE  119  15.90 +/- 1.82   1.298% *  0.2411% (0.81   0.02   0.02) =   0.003%
          HN    SER   37 - QD1   ILE  119  20.75 +/- 3.26   0.621% *  0.1867% (0.62   0.02   0.02) =   0.001%
          HN    LYS+  33 - QD1   ILE  119  19.76 +/- 3.69   0.815% *  0.0445% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.21, residual support = 30.1:
        T QD1   LEU  123 - HA    ALA  120   2.66 +/- 0.69  94.806% * 99.1996% (0.45 10.00   5.21  30.05) =  99.993%  kept
          HB3   LEU   63 - HA    ALA  120  14.29 +/- 3.63   0.910% *  0.2169% (0.98  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - HA    ALA  120  14.42 +/- 4.40   1.016% *  0.1520% (0.69  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HA    ALA  120  17.11 +/- 3.87   0.743% *  0.1772% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    ALA  120  15.33 +/- 1.95   0.908% *  0.1164% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    ALA  120  15.74 +/- 6.01   1.208% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  18.42 +/- 3.59   0.410% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.563, support = 5.01, residual support = 23.0:
          HN    LEU  123 - HA    ALA  120   2.66 +/- 0.11  49.831% * 47.4224% (0.80   1.0   6.07  30.05) =  59.130%  kept
      O   HN    ALA  120 - HA    ALA  120   2.75 +/- 0.05  45.162% * 34.1899% (0.18  10.0   3.58  13.44) =  38.637%  kept
          HN    ALA  124 - HA    ALA  120   5.81 +/- 0.34   4.904% * 18.1924% (0.98   1.0   1.90   0.02) =   2.232%  kept
          HE21  GLN   17 - HA    ALA  120  23.93 +/- 4.91   0.103% *  0.1952% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.44, residual support = 313.8:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.01  98.117% * 99.7700% (0.45  10.0   6.44 313.76) =  99.999%  kept
          HZ2   TRP   49 - HA    LYS+ 121  23.27 +/- 3.19   0.212% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  19.06 +/- 5.06   1.182% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  17.27 +/- 2.50   0.489% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3332 (3.69, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.911, support = 3.46, residual support = 6.89:
          HA    THR  118 - HB2   LYS+ 121   3.38 +/- 0.72  62.302% * 39.9269% (0.87   3.01   5.97) =  55.594%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.51 +/- 0.38  33.493% * 59.2987% (0.97   4.02   8.05) =  44.388%  kept
          HA    ALA   84 - HB2   LYS+ 121  20.59 +/- 3.83   1.389% *  0.2338% (0.76   0.02   0.02) =   0.007%
          HA2   GLY  109 - HB2   LYS+ 121  15.11 +/- 3.07   1.750% *  0.1732% (0.57   0.02   0.02) =   0.007%
          HB2   TRP   49 - HB2   LYS+ 121  23.60 +/- 3.33   0.339% *  0.2824% (0.92   0.02   0.02) =   0.002%
          HA    VAL   75 - HB2   LYS+ 121  18.61 +/- 3.16   0.726% *  0.0851% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.731, support = 2.36, residual support = 6.14:
        T HA    THR  118 - HB3   LYS+ 121   3.76 +/- 0.53  71.178% * 79.5900% (0.72 10.00   2.16   5.97) =  91.866%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.57 +/- 0.46  24.846% * 20.1777% (0.81  1.00   4.56   8.05) =   8.130%  kept
          HA2   GLY  109 - HB3   LYS+ 121  15.31 +/- 3.21   2.024% *  0.0519% (0.47  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - HB3   LYS+ 121  21.08 +/- 3.94   0.701% *  0.0701% (0.64  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB3   LYS+ 121  24.39 +/- 3.67   0.514% *  0.0847% (0.77  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - HB3   LYS+ 121  19.38 +/- 3.37   0.736% *  0.0255% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.37, residual support = 313.8:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.74 +/- 0.41  99.729% * 99.9582% (0.75  10.0   6.37 313.76) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  21.70 +/- 3.23   0.271% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.32, residual support = 54.4:
          HN    HIS  122 - HB3   LYS+ 121   4.06 +/- 0.35  94.215% * 99.5477% (0.75   6.32  54.38) =  99.989%  kept
          HN    PHE   59 - HB3   LYS+ 121  12.10 +/- 1.29   4.258% *  0.1199% (0.28   0.02   0.02) =   0.005%
          HH2   TRP   87 - HB3   LYS+ 121  19.07 +/- 5.76   1.528% *  0.3324% (0.79   0.02   0.02) =   0.005%
    Distance limit 3.85 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.73, residual support = 54.2:
          HN    HIS  122 - HB2   LYS+ 121   3.36 +/- 0.19  89.250% * 95.8688% (0.41   7.75  54.38) =  99.613%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.35 +/- 0.55   9.031% *  3.6333% (0.34   0.35   0.02) =   0.382%  kept
          HH2   TRP   87 - HB2   LYS+ 121  18.68 +/- 5.41   1.023% *  0.2927% (0.49   0.02   0.02) =   0.003%
          HD1   TRP   27 - HB2   LYS+ 121  21.90 +/- 5.04   0.696% *  0.2051% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.94, residual support = 313.8:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.35 +/- 0.31  99.796% * 99.9061% (0.92  10.0   6.94 313.76) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  21.03 +/- 3.03   0.204% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.524, support = 1.58, residual support = 19.6:
          QG2   ILE  119 - HB2   HIS  122   4.35 +/- 1.08  49.275% * 93.0494% (0.53   1.59  19.73) =  99.141%  kept
          QD2   LEU   67 - HB2   HIS  122  11.68 +/- 4.66  21.832% *  0.9151% (0.41   0.02   0.02) =   0.432%  kept
          QD1   LEU   40 - HB2   HIS  122  11.08 +/- 5.63  24.704% *  0.4405% (0.20   0.02   0.02) =   0.235%  kept
          QD1   ILE  103 - HB2   HIS  122  15.85 +/- 4.27   1.455% *  5.0400% (0.34   0.13   0.02) =   0.159%  kept
          QD2   LEU   71 - HB2   HIS  122  14.36 +/- 3.96   2.733% *  0.5550% (0.25   0.02   0.02) =   0.033%
    Distance limit 3.57 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 = 0.571, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - HB2   HIS  122  11.65 +/- 5.92  18.494% * 20.0916% (0.69   0.02   0.02) =  31.334%  kept
          QD2   LEU  115 - HB2   HIS  122   8.73 +/- 0.80  24.560% * 12.0248% (0.41   0.02   0.02) =  24.905%  kept
          QG1   VAL   83 - HB2   HIS  122  18.75 +/- 4.72   7.265% * 29.1845% (1.00   0.02   0.02) =  17.879%  kept
          QD1   LEU   63 - HB2   HIS  122   9.04 +/- 2.93  27.328% *  4.5130% (0.15   0.02   0.02) =  10.401%  kept
          QD2   LEU   80 - HB2   HIS  122  20.05 +/- 4.26   5.029% * 13.1134% (0.45   0.02   0.02) =   5.562%  kept
          QD1   LEU   73 - HB2   HIS  122  13.96 +/- 4.64  14.050% *  4.5130% (0.15   0.02   0.02) =   5.347%  kept
          QG2   ILE   89 - HB2   HIS  122  16.69 +/- 2.39   3.273% * 16.5597% (0.57   0.02   0.02) =   4.571%  kept
    Distance limit 4.14 A violated in 13 structures by 2.50 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 71.0:
      O   HD2   HIS  122 - HB2   HIS  122   3.69 +/- 0.46  93.134% * 99.8219% (1.00  10.0   3.60  71.03) =  99.995%  kept
          HE22  GLN  116 - HB2   HIS  122  11.54 +/- 1.68   3.695% *  0.0996% (1.00   1.0   0.02   0.02) =   0.004%
          QD    PHE   45 - HB2   HIS  122  15.38 +/- 3.09   1.988% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   HIS  122  20.17 +/- 5.12   1.184% *  0.0410% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.37, residual support = 70.9:
      O   HN    HIS  122 - HB2   HIS  122   3.37 +/- 0.51  84.619% * 98.5667% (0.41  10.0   5.38  71.03) =  99.794%  kept
          QD    PHE   59 - HB2   HIS  122   6.93 +/- 1.29  13.816% *  1.2349% (0.34   1.0   0.30   0.02) =   0.204%  kept
          HH2   TRP   87 - HB2   HIS  122  20.27 +/- 4.95   0.725% *  0.1167% (0.49   1.0   0.02   0.02) =   0.001%
          HD1   TRP   27 - HB2   HIS  122  20.57 +/- 6.02   0.840% *  0.0818% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 71.0:
      O   HD2   HIS  122 - HB3   HIS  122   3.16 +/- 0.45  94.728% * 99.8219% (1.00  10.0   4.26  71.03) =  99.996%  kept
          HE22  GLN  116 - HB3   HIS  122  10.87 +/- 1.75   2.850% *  0.0996% (1.00   1.0   0.02   0.02) =   0.003%
          QD    PHE   45 - HB3   HIS  122  15.11 +/- 3.15   1.886% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB3   HIS  122  20.63 +/- 4.92   0.536% *  0.0410% (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 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.52, residual support = 71.0:
      O   HN    HIS  122 - HB3   HIS  122   2.86 +/- 0.47  94.823% * 99.8567% (0.90  10.0   6.52  71.03) =  99.998%  kept
          HN    PHE   59 - HB3   HIS  122   9.13 +/- 1.70   4.740% *  0.0380% (0.34   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB3   HIS  122  20.22 +/- 4.82   0.437% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.52, support = 1.74, residual support = 19.4:
          QG2   ILE  119 - HB3   HIS  122   3.75 +/- 1.01  58.927% * 93.9906% (0.53  1.00   1.77  19.73) =  98.165%  kept
        T QD1   LEU   40 - HB3   HIS  122  11.44 +/- 5.57  22.308% *  3.9900% (0.20 10.00   0.02   0.02) =   1.578%  kept
          QD2   LEU   67 - HB3   HIS  122  11.97 +/- 4.53  14.852% *  0.8289% (0.41  1.00   0.02   0.02) =   0.218%  kept
          QD2   LEU   71 - HB3   HIS  122  14.67 +/- 3.88   2.453% *  0.5027% (0.25  1.00   0.02   0.02) =   0.022%
          QD1   ILE  103 - HB3   HIS  122  15.83 +/- 4.17   1.460% *  0.6877% (0.34  1.00   0.02   0.02) =   0.018%
    Distance limit 3.65 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.677, support = 3.75, residual support = 29.6:
          HA    ALA  120 - HG    LEU  123   3.10 +/- 1.00  80.403% * 84.5979% (0.68  1.00   3.80  30.05) =  98.399%  kept
          HA    LYS+ 121 - HG    LEU  123   7.07 +/- 0.69   8.968% * 11.9402% (0.47  1.00   0.77   2.31) =   1.549%  kept
          HA    LYS+  65 - HG    LEU  123  16.19 +/- 3.49   2.653% *  0.3755% (0.57  1.00   0.02   0.02) =   0.014%
        T HD2   PRO   52 - HG    LEU  123  20.31 +/- 3.37   0.593% *  1.1208% (0.17 10.00   0.02   0.02) =   0.010%
          QB    SER  117 - HG    LEU  123   9.25 +/- 1.17   3.717% *  0.1533% (0.23  1.00   0.02   0.02) =   0.008%
          HA2   GLY   16 - HG    LEU  123  22.03 +/- 5.98   1.212% *  0.4031% (0.62  1.00   0.02   0.02) =   0.007%
          QB    SER   48 - HG    LEU  123  21.87 +/- 3.89   1.006% *  0.3899% (0.60  1.00   0.02   0.02) =   0.006%
          HB    THR   94 - HG    LEU  123  19.15 +/- 1.53   0.663% *  0.3435% (0.52  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - HG    LEU  123  21.50 +/- 3.28   0.539% *  0.2726% (0.42  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HG    LEU  123  25.96 +/- 2.94   0.247% *  0.4031% (0.62  1.00   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.51, residual support = 202.2:
          HN    LEU  123 - HG    LEU  123   3.43 +/- 0.42  98.520% * 99.5296% (0.36   5.51 202.22) =  99.997%  kept
          HZ2   TRP   49 - HG    LEU  123  22.14 +/- 3.91   0.640% *  0.3344% (0.33   0.02   0.02) =   0.002%
          HE21  GLN   17 - HG    LEU  123  22.40 +/- 5.64   0.840% *  0.1360% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 3.07, residual support = 29.3:
          HA    ALA  120 - HB3   LEU  123   3.80 +/- 0.35  78.818% * 82.9423% (0.99   3.14  30.05) =  97.371%  kept
          HA    LYS+ 121 - HB3   LEU  123   7.15 +/- 0.41  12.288% * 14.1443% (0.69   0.77   2.31) =   2.589%  kept
          QB    SER  117 - HB3   LEU  123  10.25 +/- 0.51   4.081% *  0.1821% (0.34   0.02   0.02) =   0.011%
          HA    LYS+  65 - HB3   LEU  123  17.69 +/- 3.92   1.430% *  0.4459% (0.84   0.02   0.02) =   0.010%
          HA2   GLY   16 - HB3   LEU  123  22.73 +/- 6.49   0.899% *  0.4788% (0.90   0.02   0.02) =   0.006%
          QB    SER   48 - HB3   LEU  123  23.53 +/- 3.87   0.703% *  0.4631% (0.87   0.02   0.02) =   0.005%
          HB    THR   94 - HB3   LEU  123  21.11 +/- 1.35   0.528% *  0.4080% (0.76   0.02   0.02) =   0.003%
          HA2   GLY   51 - HB3   LEU  123  23.27 +/- 3.40   0.442% *  0.3238% (0.61   0.02   0.02) =   0.002%
          QB    SER   85 - HB3   LEU  123  27.49 +/- 2.96   0.283% *  0.4788% (0.90   0.02   0.02) =   0.002%
          HD2   PRO   52 - HB3   LEU  123  22.10 +/- 3.39   0.528% *  0.1331% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.912, support = 5.34, residual support = 170.7:
      O   HN    LEU  123 - HB3   LEU  123   3.60 +/- 0.08  39.578% * 88.3757% (0.98  10.0   5.51 202.22) =  83.414%  kept
          HN    ALA  124 - HB3   LEU  123   3.13 +/- 0.22  60.149% * 11.5624% (0.57   1.0   4.53  12.24) =  16.586%  kept
          HE21  GLN   17 - HB3   LEU  123  23.37 +/- 6.07   0.273% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.94, support = 2.78, residual support = 25.4:
          HA    ALA  120 - HB2   LEU  123   2.43 +/- 0.99  84.071% * 34.0773% (0.99  1.00   3.17  30.05) =  83.268%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.89 +/- 0.78   9.076% * 63.1054% (0.69 10.00   0.85   2.31) =  16.646%  kept
        T HA    LYS+  65 - HB2   LEU  123  17.33 +/- 3.67   1.248% *  1.8136% (0.84 10.00   0.02   0.02) =   0.066%
          QB    SER   48 - HB2   LEU  123  22.91 +/- 3.63   1.171% *  0.1883% (0.87  1.00   0.02   0.02) =   0.006%
          QB    SER  117 - HB2   LEU  123   9.11 +/- 0.92   2.685% *  0.0741% (0.34  1.00   0.02   0.02) =   0.006%
          HA2   GLY   16 - HB2   LEU  123  22.76 +/- 5.94   0.371% *  0.1947% (0.90  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB2   LEU  123  19.95 +/- 1.46   0.403% *  0.1659% (0.76  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HB2   LEU  123  22.70 +/- 2.96   0.352% *  0.1317% (0.61  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU  123  26.44 +/- 3.08   0.202% *  0.1947% (0.90  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   LEU  123  21.39 +/- 2.98   0.421% *  0.0541% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.966, support = 5.88, residual support = 195.6:
      O   HN    LEU  123 - HB2   LEU  123   2.56 +/- 0.37  77.138% * 89.0762% (0.98  10.0   5.94 202.22) =  96.540%  kept
          HN    ALA  124 - HB2   LEU  123   4.10 +/- 0.19  22.670% * 10.8614% (0.57   1.0   4.22  12.24) =   3.460%  kept
          HE21  GLN   17 - HB2   LEU  123  23.30 +/- 5.70   0.191% *  0.0624% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 29.8:
        T HA    ALA  120 - QD1   LEU  123   2.66 +/- 0.69  80.567% * 94.0819% (0.57 10.00   5.21  30.05) =  99.232%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.49 +/- 0.19  12.786% *  4.5177% (0.20  1.00   2.75   2.31) =   0.756%  kept
        T HA    SER   48 - QD1   LEU  123  18.57 +/- 3.02   0.463% *  0.5129% (0.31 10.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - QD1   LEU  123  12.73 +/- 2.82   1.250% *  0.1572% (0.95  1.00   0.02   0.02) =   0.003%
          HA    GLN   32 - QD1   LEU  123  20.95 +/- 5.70   1.163% *  0.0941% (0.57  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD1   LEU  123  16.28 +/- 2.35   0.765% *  0.1270% (0.76  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU  123  17.81 +/- 4.38   0.571% *  0.1490% (0.90  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD1   LEU  123  21.12 +/- 2.38   0.396% *  0.1490% (0.90  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD1   LEU  123  17.56 +/- 3.21   0.591% *  0.0567% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.31 +/- 1.38   0.591% *  0.0414% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  21.73 +/- 2.12   0.247% *  0.0874% (0.53  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  17.33 +/- 2.38   0.610% *  0.0256% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.577, support = 1.84, residual support = 9.24:
      O   HN    ALA  124 - QB    ALA  124   2.22 +/- 0.31  90.189% * 79.2986% (0.57  10.0   1.81   9.16) =  97.322%  kept
          HN    LEU  123 - QB    ALA  124   5.40 +/- 0.41   9.553% * 20.5952% (0.98   1.0   2.72  12.24) =   2.677%  kept
          HE21  GLN   17 - QB    ALA  124  20.96 +/- 5.91   0.258% *  0.1062% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.977, support = 1.83, residual support = 9.22:
      O   HN    ALA  124 - HA    ALA  124   2.73 +/- 0.23  80.403% * 88.9441% (0.98  10.0   1.81   9.16) =  98.090%  kept
          HN    LEU  123 - HA    ALA  124   5.31 +/- 0.41  12.760% * 10.9039% (0.80   1.0   2.72  12.24) =   1.908%  kept
          HN    ALA  120 - HA    ALA  124   8.96 +/- 1.10   3.230% *  0.0175% (0.18   1.0   0.02   0.02) =   0.001%
          HE21  GLN   17 - HA    ALA   34  15.14 +/- 3.92   1.843% *  0.0116% (0.12   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  24.91 +/- 6.69   0.197% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  23.61 +/- 8.32   0.832% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  21.90 +/- 6.83   0.501% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  23.33 +/- 5.36   0.233% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3356 (7.45, 4.38, 55.67 ppm):
    4 chemical-shift based assignments, quality = 0.93, support = 4.64, residual support = 64.9:
      O   HN    ALA  124 - HA    LEU  123   2.26 +/- 0.04  66.420% * 55.0021% (0.98  10.0   4.14  12.24) =  72.266%  kept
      O   HN    LEU  123 - HA    LEU  123   2.90 +/- 0.04  31.203% * 44.9320% (0.80  10.0   5.93 202.22) =  27.733%  kept
          HN    ALA  120 - HA    LEU  123   7.01 +/- 0.22   2.242% *  0.0098% (0.18   1.0   0.02  30.05) =   0.000%
          HE21  GLN   17 - HA    LEU  123  22.27 +/- 6.15   0.135% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  19.08 +/- 7.27 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.33 A violated in 20 structures by 15.75 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.99, residual support = 23.5:
      O   HN    ILE  103 - HA    LYS+ 102   2.34 +/- 0.11  98.865% * 99.7350% (0.69  10.0   5.99  23.49) =  99.999%  kept
          HN    GLN   90 - HA    LYS+ 102  18.34 +/- 2.27   0.270% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  20.08 +/- 3.91   0.305% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.43 +/- 4.62   0.380% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.51 +/- 1.15   0.180% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3359 (9.88, 4.95, 63.38 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 14.5:
      O   HN    PHE   95 - HA    THR   94   2.26 +/- 0.14 100.000% *100.0000% (0.73  10.0   3.16  14.54) = 100.000%  kept
    Distance limit 2.49 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 = 5.94, residual support = 85.8:
      O   HN    LEU   80 - HB2   LEU   80   3.14 +/- 0.53  96.132% * 99.7811% (1.00  10.0   5.94  85.83) =  99.997%  kept
          HN    ALA   34 - HB2   LEU   80  18.87 +/- 5.60   1.440% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   80  18.10 +/- 3.11   0.936% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   LEU   80  18.11 +/- 6.48   1.491% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.39, residual support = 85.8:
      O   HN    LEU   80 - HB3   LEU   80   3.33 +/- 0.46  97.173% * 99.7811% (1.00  10.0   6.39  85.83) =  99.998%  kept
          HN    ALA   34 - HB3   LEU   80  19.35 +/- 5.75   0.870% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    CYS   53 - HB3   LEU   80  18.14 +/- 3.39   0.761% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB3   LEU   80  18.60 +/- 6.64   1.196% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 5.3, residual support = 85.6:
      O   HA    LEU   80 - HB3   LEU   80   2.85 +/- 0.18  85.465% * 95.3753% (0.98  10.0   5.32  85.83) =  99.675%  kept
          HA    ASP-  78 - HB3   LEU   80   7.12 +/- 0.77   6.248% *  3.3609% (0.61   1.0   1.14   6.21) =   0.257%  kept
          HA    THR   23 - HB3   LEU   80  13.49 +/- 7.34   4.735% *  1.1136% (0.90   1.0   0.26   0.65) =   0.064%
          HB    THR   23 - HB3   LEU   80  14.74 +/- 7.24   2.425% *  0.0873% (0.90   1.0   0.02   0.65) =   0.003%
          HA    ASP- 105 - HB3   LEU   80  19.24 +/- 3.94   1.128% *  0.0629% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3363 (1.34, 1.34, 40.36 ppm):
    1 diagonal assignment:
    *     HB3   LEU   80 - HB3   LEU   80  (1.00)  kept
 
    Peak 3364 (0.58, 1.34, 40.36 ppm):
    9 chemical-shift based assignments, quality = 0.456, support = 4.29, residual support = 85.8:
      O   QD2   LEU   80 - HB3   LEU   80   2.92 +/- 0.38  38.548% * 77.3053% (0.57  10.0  1.00   4.10  85.83) =  74.416%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.51 +/- 0.32  55.247% * 18.4793% (0.14  10.0  1.00   4.87  85.83) =  25.495%  kept
        T QD1   LEU   73 - HB3   LEU   80  10.81 +/- 3.72   1.646% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.052%
        T QD1   LEU   63 - HB3   LEU   80  14.55 +/- 3.57   0.549% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.017%
        T QD2   LEU   63 - HB3   LEU   80  14.36 +/- 2.87   0.483% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.013%
        T QD1   LEU  104 - HB3   LEU   80  16.74 +/- 3.09   0.321% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL   41 - HB3   LEU   80  12.53 +/- 3.36   1.610% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   80  11.82 +/- 3.19   1.359% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU   80  16.97 +/- 2.43   0.237% *  0.0828% (0.61   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 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.86, residual support = 85.4:
      O   HA    LEU   80 - HG    LEU   80   3.29 +/- 0.54  56.330% * 95.6900% (0.63  10.0   4.88  85.83) =  99.519%  kept
          HA    THR   23 - HG    LEU   80  12.86 +/- 8.33  11.648% *  1.1173% (0.58   1.0   0.26   0.65) =   0.240%  kept
          HA    ASP-  78 - HG    LEU   80   8.20 +/- 0.85   4.822% *  2.4564% (0.39   1.0   0.83   6.21) =   0.219%  kept
          HB    THR   23 - HG    LEU   80  14.17 +/- 8.20   4.196% *  0.0876% (0.58   1.0   0.02   0.65) =   0.007%
          HB    THR   23 - HG    LEU   73  10.44 +/- 2.72   5.016% *  0.0347% (0.23   1.0   0.02   0.20) =   0.003%
          HA    THR   23 - HG    LEU   73   9.96 +/- 2.04   3.762% *  0.0347% (0.23   1.0   0.02   0.20) =   0.002%
          HB    THR   23 - HG12  ILE   19  11.61 +/- 2.84   4.341% *  0.0298% (0.20   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HG    LEU   40  13.85 +/- 3.24   1.286% *  0.0475% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG12  ILE   19  11.93 +/- 1.71   1.892% *  0.0298% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   73  14.34 +/- 3.71   1.374% *  0.0380% (0.25   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HG    LEU   80  20.32 +/- 4.19   0.714% *  0.0632% (0.42   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   40  18.71 +/- 1.95   0.431% *  0.0659% (0.44   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG    LEU   40  18.92 +/- 2.13   0.411% *  0.0659% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  17.99 +/- 5.43   0.809% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  19.65 +/- 2.71   0.351% *  0.0720% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  17.09 +/- 4.05   0.864% *  0.0251% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  16.56 +/- 1.63   0.554% *  0.0235% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.40 +/- 4.02   0.646% *  0.0202% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  20.94 +/- 2.20   0.261% *  0.0446% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.58 +/- 2.51   0.294% *  0.0215% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.198, support = 4.88, residual support = 130.9:
          HN    LEU   73 - HG    LEU   73   3.07 +/- 0.71  29.343% * 38.8387% (0.20   5.66 171.94) =  62.606%  kept
          HN    VAL   42 - HG    LEU   40   4.91 +/- 0.96   9.261% * 30.7115% (0.37   2.36   1.88) =  15.625%  kept
          HN    ILE   19 - HG12  ILE   19   2.97 +/- 0.85  32.527% *  7.4216% (0.03   6.24 170.05) =  13.261%  kept
          HN    LEU   73 - HG12  ILE   19   6.59 +/- 3.68   9.552% *  8.9114% (0.17   1.51   5.82) =   4.676%  kept
          HN    VAL   42 - HG    LEU   73   7.19 +/- 2.54   4.539% *  8.0051% (0.20   1.17   1.04) =   1.996%  kept
          HN    ILE   19 - HG    LEU   73   6.88 +/- 3.66   8.026% *  3.9777% (0.04   2.87   5.82) =   1.754%  kept
          HN    LEU   73 - HG    LEU   40   8.32 +/- 1.87   2.514% *  0.2603% (0.37   0.02   0.02) =   0.036%
          HN    LEU   73 - HG    LEU   80  13.32 +/- 4.84   0.759% *  0.3460% (0.49   0.02   0.02) =   0.014%
          HN    VAL   42 - HG    LEU   80  14.63 +/- 4.07   0.519% *  0.3460% (0.49   0.02   0.02) =   0.010%
          HN    VAL   42 - HG12  ILE   19  10.08 +/- 3.73   1.043% *  0.1177% (0.17   0.02   0.02) =   0.007%
          HN    LYS+ 106 - HG    LEU   40  14.38 +/- 2.74   0.319% *  0.2845% (0.41   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HG    LEU   80  19.45 +/- 3.88   0.197% *  0.3781% (0.54   0.02   0.02) =   0.004%
          HN    LYS+ 106 - HG    LEU   73  16.94 +/- 3.72   0.330% *  0.1501% (0.21   0.02   0.02) =   0.003%
          HN    ILE   19 - HG    LEU   40  11.50 +/- 3.02   0.562% *  0.0526% (0.08   0.02   0.02) =   0.002%
          HN    ILE   19 - HG    LEU   80  16.16 +/- 7.46   0.408% *  0.0699% (0.10   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG12  ILE   19  20.75 +/- 2.23   0.101% *  0.1287% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.96, residual support = 173.8:
      O T HA    LYS+  99 - HB3   LYS+  99   2.88 +/- 0.26  85.878% * 93.4054% (0.76  10.0 10.00   5.99 174.65) =  99.507%  kept
          HA    LEU   40 - HB3   LYS+  99   9.55 +/- 6.10   8.532% *  4.5654% (0.65   1.0  1.00   1.15   9.29) =   0.483%  kept
        T HA    ILE   56 - HB3   LYS+  99  21.77 +/- 2.58   0.247% *  1.1283% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASN   35 - HB3   LYS+  99  14.53 +/- 5.68   1.902% *  0.1096% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ASP- 113 - HB3   LYS+  99  23.12 +/- 2.43   0.179% *  0.5025% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LYS+  99  19.17 +/- 6.74   0.683% *  0.1198% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LYS+  99  23.10 +/- 7.19   1.330% *  0.0548% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   LYS+  99  19.04 +/- 5.02   0.700% *  0.0548% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  19.99 +/- 4.17   0.548% *  0.0595% (0.49   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 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.84, residual support = 174.6:
      O   HN    LYS+  99 - HB3   LYS+  99   2.98 +/- 0.25  90.774% * 99.4797% (0.31  10.0   3.84 174.65) =  99.988%  kept
          HE1   HIS  122 - HB3   LYS+  99  13.72 +/- 7.20   5.950% *  0.0804% (0.25   1.0   0.02   0.02) =   0.005%
          HN    ASN   35 - HB3   LYS+  99  15.06 +/- 5.03   1.749% *  0.2692% (0.84   1.0   0.02   0.02) =   0.005%
          HN    ALA   12 - HB3   LYS+  99  26.68 +/- 7.40   0.505% *  0.1210% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB3   LYS+  99  21.38 +/- 6.50   1.022% *  0.0497% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 4.05 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   2.97 +/- 1.53  75.511% * 97.7029% (0.41 10.00   1.99  18.82) =  99.878%  kept
        T QG2   ILE   89 - HB3   LYS+  99  14.89 +/- 2.03   2.775% *  1.9902% (0.84 10.00   0.02   0.02) =   0.075%
          QG1   VAL   83 - HB3   LYS+  99  14.34 +/- 2.78  15.129% *  0.2067% (0.87  1.00   0.02   0.02) =   0.042%
          QD2   LEU   80 - HB3   LYS+  99  17.31 +/- 3.56   5.353% *  0.0530% (0.22  1.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HB3   LYS+  99  15.96 +/- 1.53   1.232% *  0.0472% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 1 structures by 0.37 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.76, support = 1.85, residual support = 9.07:
        T QD2   LEU   40 - HB3   LYS+  99   6.97 +/- 5.24  48.039% * 95.7284% (0.76 10.00   1.87   9.29) =  97.395%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.65 +/- 0.88  30.699% *  3.9493% (0.61  1.00   0.97   0.53) =   2.568%  kept
          QD1   LEU   67 - HB3   LYS+  99  12.50 +/- 4.24  10.767% *  0.0972% (0.73  1.00   0.02   0.02) =   0.022%
          HG3   LYS+  74 - HB3   LYS+  99  19.03 +/- 3.00   5.380% *  0.0651% (0.49  1.00   0.02   0.02) =   0.007%
          HB    VAL   75 - HB3   LYS+  99  16.09 +/- 1.74   2.240% *  0.1266% (0.95  1.00   0.02   0.02) =   0.006%
          QD1   ILE  119 - HB3   LYS+  99  15.98 +/- 2.78   2.875% *  0.0334% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 5 structures by 0.96 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.61, residual support = 174.6:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.84 +/- 0.18  92.314% * 99.4593% (0.97  10.0   5.61 174.65) =  99.995%  kept
          HG2   LYS+  38 - HB3   LYS+  99  15.00 +/- 5.90   1.349% *  0.1028% (1.00   1.0   0.02   0.02) =   0.002%
          QB    ALA   88 - HB3   LYS+  99  15.98 +/- 2.66   1.151% *  0.0894% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   LEU   31 - HB3   LYS+  99  15.12 +/- 3.90   1.235% *  0.0708% (0.69   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HB3   LYS+  99  16.41 +/- 3.23   1.009% *  0.0502% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+  99  16.27 +/- 3.53   0.788% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  20.00 +/- 3.68   0.544% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  16.22 +/- 1.89   0.574% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  24.08 +/- 3.41   0.218% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  17.73 +/- 6.18   0.818% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 174.6:
      O T HB2   LYS+  99 - HA    LYS+  99   2.57 +/- 0.26  97.011% * 99.7492% (0.99  10.0 10.00   7.00 174.65) =  99.998%  kept
          HB    VAL   43 - HA    LYS+  99  11.47 +/- 1.51   1.318% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    LYS+  99  17.87 +/- 5.22   1.203% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HA    LYS+  99  21.60 +/- 3.32   0.468% *  0.0986% (0.98   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 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.711, support = 5.19, residual support = 181.5:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.58 +/- 0.30  29.011% * 58.3907% (0.99  10.0  1.00   5.16 174.65) =  56.994%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.28 +/- 0.12  39.368% * 20.0954% (0.34  10.0 10.00   5.27 174.65) =  26.617%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.71 +/- 0.17  24.379% * 19.9563% (0.34  10.0 10.00   5.18 216.49) =  16.369%  kept
        T QD    LYS+ 106 - HG12  ILE   89   7.97 +/- 2.65   4.219% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.010%
        T HB    ILE   89 - HG3   LYS+  99  19.52 +/- 3.21   0.278% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 106 - HG3   LYS+  99  12.45 +/- 1.40   0.329% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+  99  18.83 +/- 2.34   0.080% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG3   LYS+  38  12.63 +/- 6.67   0.857% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG12  ILE   89  17.14 +/- 2.45   0.132% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.44 +/- 2.19   0.270% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.17 +/- 2.69   0.145% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  22.90 +/- 2.94   0.046% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  15.36 +/- 6.24   0.381% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  17.10 +/- 3.25   0.146% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  21.15 +/- 2.89   0.061% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  15.94 +/- 2.87   0.170% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  25.92 +/- 2.07   0.029% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.54 +/- 2.04   0.101% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.43, residual support = 174.6:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.75 +/- 0.29  87.149% * 97.9462% (0.99  10.0 10.00   6.44 174.65) =  99.961%  kept
        T HB    VAL   43 - HG12  ILE   89   8.17 +/- 1.43   5.602% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.025%
        T HB    VAL   43 - HG3   LYS+  99  14.13 +/- 1.26   0.747% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   LYS+  99 - HG12  ILE   89  16.96 +/- 2.41   0.572% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  99 - HG3   LYS+  38  15.01 +/- 6.28   1.240% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG12  ILE   89  10.48 +/- 1.62   2.276% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  99  19.20 +/- 5.30   0.685% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  23.78 +/- 3.76   0.309% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  23.06 +/- 4.35   0.448% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  17.68 +/- 2.63   0.566% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  18.66 +/- 1.35   0.303% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  28.19 +/- 3.71   0.103% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 113.2:
    * O   HA    GLN  116 - HG3   GLN  116   3.22 +/- 0.75  97.269% * 99.5202% (1.00  10.0   5.23 113.21) =  99.998%  kept
          HA    VAL   70 - HG3   GLN  116  21.33 +/- 2.90   0.492% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   GLN  116  22.02 +/- 2.95   0.393% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  19.67 +/- 3.87   0.728% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  29.39 +/- 4.92   0.194% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  28.89 +/- 4.50   0.200% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  27.82 +/- 2.93   0.231% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  27.77 +/- 3.69   0.213% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  25.37 +/- 3.28   0.279% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.74, residual support = 113.2:
      O   HB2   GLN  116 - HG3   GLN  116   2.53 +/- 0.34  84.655% * 99.6757% (0.98  10.0   5.74 113.21) =  99.991%  kept
          HB2   PRO   58 - HG3   GLN  116   9.62 +/- 2.80  14.528% *  0.0456% (0.45   1.0   0.02   0.02) =   0.008%
          HB3   PHE   97 - HG3   GLN  116  16.60 +/- 2.36   0.429% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  22.08 +/- 2.65   0.166% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  26.95 +/- 2.76   0.089% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  27.38 +/- 4.15   0.133% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.71, residual support = 102.5:
          QD2   LEU  115 - HG3   GLN  116   4.12 +/- 0.54  80.379% * 98.7517% (0.97   6.71 102.50) =  99.960%  kept
          QD1   LEU   63 - HG3   GLN  116  11.83 +/- 2.50   7.502% *  0.2094% (0.69   0.02   0.02) =   0.020%
          QD1   LEU  104 - HG3   GLN  116  16.65 +/- 2.58   1.723% *  0.2988% (0.98   0.02   0.02) =   0.006%
          QD1   LEU   73 - HG3   GLN  116  17.87 +/- 3.70   1.905% *  0.2094% (0.69   0.02   0.02) =   0.005%
          QD2   LEU   63 - HG3   GLN  116  12.32 +/- 3.00   6.935% *  0.0470% (0.15   0.02   0.02) =   0.004%
          QD2   LEU   80 - HG3   GLN  116  21.56 +/- 2.71   0.716% *  0.2988% (0.98   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG3   GLN  116  20.27 +/- 2.05   0.840% *  0.1849% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.88 A violated in 0 structures by 0.39 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.47, residual support = 113.2:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.635% * 99.7025% (0.98  10.0  1.00   5.47 113.21) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  12.24 +/- 1.40   0.330% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  29.93 +/- 5.17   0.035% *  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 = 4.18, residual support = 113.1:
      O   HE21  GLN  116 - HG3   GLN  116   3.39 +/- 0.42  79.674% * 99.1438% (0.69  10.0   4.18 113.21) =  99.881%  kept
          HN    ALA  120 - HG3   GLN  116   6.79 +/- 1.14  15.164% *  0.5843% (0.31   1.0   0.26   0.15) =   0.112%  kept
          HN    ALA   57 - HG3   GLN  116   9.96 +/- 2.35   4.452% *  0.1103% (0.76   1.0   0.02   0.02) =   0.006%
          HE21  GLN   90 - HG3   GLN  116  22.00 +/- 3.68   0.550% *  0.1393% (0.97   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HG3   GLN  116  29.70 +/- 4.38   0.160% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.693, support = 7.03, residual support = 108.1:
          HN    GLN  116 - HG3   GLN  116   3.73 +/- 0.42  64.920% * 82.1695% (0.69   7.31 113.21) =  95.506%  kept
          HN    THR  118 - HG3   GLN  116   6.53 +/- 0.54  14.373% * 15.0985% (0.92   1.00   0.11) =   3.885%  kept
          HN    GLU- 114 - HG3   GLN  116   6.61 +/- 1.28  14.216% *  2.2457% (0.25   0.55   1.99) =   0.572%  kept
          HN    PHE   60 - HG3   GLN  116  10.67 +/- 2.13   6.290% *  0.3271% (1.00   0.02   0.02) =   0.037%
          HN    GLU-  15 - HG3   GLN  116  28.32 +/- 3.00   0.201% *  0.1592% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.912, support = 6.58, residual support = 177.9:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  42.605% * 82.3932% (1.00  10.0 10.00   6.59 174.65) =  90.361%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  42.605% *  8.3159% (0.10  10.0 10.00   6.55 220.04) =   9.120%  kept
          QB    ALA   88 - HG12  ILE   89   4.57 +/- 0.43   2.620% *  5.8893% (0.28   1.0  1.00   5.12   9.34) =   0.397%  kept
          QB    ALA   84 - HG12  ILE   89   4.68 +/- 1.50   5.153% *  0.8287% (0.07   1.0  1.00   2.83  13.35) =   0.110%  kept
        T HG2   LYS+  38 - HG3   LYS+  99  13.93 +/- 6.44   0.356% *  0.7969% (0.97   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  99 - HG3   LYS+  38  13.62 +/- 7.25   0.446% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HG12  ILE   89   8.15 +/- 4.07   2.572% *  0.0103% (0.13   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG12  ILE   89  15.43 +/- 2.81   0.084% *  0.3091% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG3   LYS+  99  25.86 +/- 3.56   0.018% *  0.7623% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.14 +/- 1.17   0.577% *  0.0206% (0.25   1.0  1.00   0.02  17.51) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  15.12 +/- 3.70   0.139% *  0.0716% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.41 +/- 2.99   0.137% *  0.0567% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89  10.25 +/- 2.02   0.289% *  0.0243% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.16 +/- 3.96   0.072% *  0.0501% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  10.96 +/- 1.40   0.209% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.03 +/- 1.52   0.574% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  18.18 +/- 6.51   0.097% *  0.0282% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  11.99 +/- 2.25   0.298% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  21.18 +/- 3.64   0.036% *  0.0600% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  11.91 +/- 2.59   0.239% *  0.0084% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.53 +/- 1.82   0.048% *  0.0402% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  17.47 +/- 3.16   0.072% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  18.92 +/- 2.66   0.049% *  0.0334% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  19.18 +/- 4.03   0.048% *  0.0290% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  15.91 +/- 1.48   0.065% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  18.13 +/- 2.77   0.073% *  0.0145% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  24.83 +/- 1.73   0.016% *  0.0323% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.59 +/- 2.60   0.036% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  22.18 +/- 7.82   0.125% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  20.90 +/- 3.77   0.094% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  23.37 +/- 2.34   0.020% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.65 +/- 2.81   0.040% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  16.81 +/- 4.05   0.073% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.21 +/- 4.55   0.024% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  23.17 +/- 2.47   0.021% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.84 +/- 1.52   0.027% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  32.89 +/- 3.27   0.007% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  22.84 +/- 2.13   0.021% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  26.35 +/- 2.96   0.015% *  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        :   1262
      with multiple volume contributions     :    968
      eliminated by violation filter         :     90
 
    Peaks:
      selected                               :   2699
      without assignment                     :    111
      with assignment                        :   2588
      with unique assignment                 :   1562
      with multiple assignment               :   1026
      with reference assignment              :   1605
      with identical reference assignment    :   1028
      with compatible reference assignment   :    569
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    983
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.9
    QD2   LEU   40       3.9
    QD    PHE   45       3.8
    QG2   ILE   56       3.0
    QD    PHE   60       3.3
    HN    LYS+  65       5.2
    HZ    PHE   72       3.6
    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 = 72.7:
        T HA    PHE   60 - QD    PHE   60   3.00 +/- 0.42  81.537% * 98.3426% (0.87 10.00   3.95  72.74) =  99.926%  kept
        T QB    SER   48 - QD    PHE   60  11.02 +/- 3.34   9.464% *  0.4255% (0.38 10.00   0.02   0.02) =   0.050%
        T QB    SER  117 - QD    PHE   60  12.90 +/- 1.27   1.449% *  1.0168% (0.90 10.00   0.02   0.02) =   0.018%
          HB    THR   94 - QD    PHE   60   9.92 +/- 2.32   3.105% *  0.0552% (0.49  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QD    PHE   60  11.17 +/- 1.74   2.071% *  0.0733% (0.65  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD    PHE   60  14.61 +/- 1.59   1.114% *  0.0642% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    PHE   60  13.49 +/- 1.43   1.261% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 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  93.745% * 80.9290% (0.69  10.0   1.00  70.64) =  99.011%  kept
          HN    TRP   87 - HZ3   TRP   87   7.13 +/- 0.26   4.058% * 18.5963% (0.61   1.0   2.60  70.64) =   0.985%  kept
          HN    GLN   17 - HZ3   TRP   87  21.30 +/- 5.49   0.821% *  0.1801% (0.76   1.0   0.02   0.02) =   0.002%
          HD21  ASN   69 - HZ3   TRP   87  19.34 +/- 5.40   0.471% *  0.1334% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HZ3   TRP   87  13.72 +/- 1.04   0.602% *  0.0727% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HZ3   TRP   87  18.09 +/- 2.06   0.302% *  0.0884% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  19.49 +/- 3.10 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.03 A violated in 20 structures by 14.46 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 1.16, residual support = 6.18:
          QB    ALA   20 - HE1   HIS   22   3.44 +/- 0.38  93.030% * 93.6960% (0.76   1.17   6.18) =  99.889%  kept
          HG2   LYS+ 121 - HE1   HIS   22  26.06 +/- 6.56   2.269% *  2.0986% (1.00   0.02   0.02) =   0.055%
          HG13  ILE  103 - HE1   HIS   22  23.10 +/- 5.71   2.064% *  1.1066% (0.53   0.02   0.02) =   0.026%
          QG2   VAL  107 - HE1   HIS   22  19.24 +/- 3.07   0.810% *  1.9896% (0.95   0.02   0.02) =   0.018%
          HG13  ILE  119 - HE1   HIS   22  21.90 +/- 5.33   1.098% *  0.5848% (0.28   0.02   0.02) =   0.007%
          HB3   LEU   31 - HE1   HIS   22  17.78 +/- 0.94   0.730% *  0.5245% (0.25   0.02   0.02) =   0.004%
    Distance limit 4.18 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 = 0.448, support = 4.32, residual support = 34.8:
          HN    ASN   28 - HD1   TRP   27   3.00 +/- 0.41  81.086% * 35.4448% (0.25   5.06  47.32) =  73.154%  kept
          HN    GLU-  25 - HD1   TRP   27   5.19 +/- 0.62  16.482% * 63.9184% (0.99   2.30   0.62) =  26.815%  kept
          HN    ASP-  44 - HD1   TRP   27  11.92 +/- 2.35   2.203% *  0.5502% (0.98   0.02   0.02) =   0.031%
          HN    ALA  110 - HD1   TRP   27  23.69 +/- 3.66   0.228% *  0.0866% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.96 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 = 101.0:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.97 100.96) = 100.000%  kept
    Distance limit 3.83 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 = 101.0:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  98.611% * 99.9799% (0.89  10.0   1.55 100.96) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  12.70 +/- 2.68   1.389% *  0.0201% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 3.87, residual support = 100.9:
          HA    TRP   27 - HE3   TRP   27   3.06 +/- 0.50  93.356% * 98.4317% (0.96   3.87 100.96) =  99.990%  kept
          HA    VAL  107 - HE3   TRP   27  18.64 +/- 2.06   0.597% *  0.4867% (0.91   0.02   0.02) =   0.003%
          HA    ALA   91 - HE3   TRP   27  20.52 +/- 2.75   0.414% *  0.5226% (0.98   0.02   0.02) =   0.002%
          HA    TRP   27 - HN    LEU   67  14.65 +/- 2.73   1.942% *  0.0792% (0.15   0.02   0.02) =   0.002%
          HA    PRO   52 - HE3   TRP   27  21.52 +/- 3.46   0.499% *  0.1979% (0.37   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    LEU   67  17.42 +/- 3.00   0.711% *  0.0757% (0.14   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    LEU   67  21.12 +/- 3.84   0.652% *  0.0813% (0.15   0.02   0.02) =   0.001%
          HA    ALA  110 - HE3   TRP   27  22.48 +/- 3.37   0.403% *  0.0814% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  18.70 +/- 2.81   0.567% *  0.0308% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  20.74 +/- 4.66   0.858% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 4.49, residual support = 100.9:
      O   HB3   TRP   27 - HE3   TRP   27   2.67 +/- 0.20  89.437% * 98.0783% (0.17  10.0   4.50 100.96) =  99.976%  kept
          QE    LYS+  38 - HE3   TRP   27  14.00 +/- 2.95   1.785% *  0.5551% (0.98   1.0   0.02   0.02) =   0.011%
          QE    LYS+  99 - HE3   TRP   27  13.57 +/- 2.63   0.989% *  0.4678% (0.83   1.0   0.02   0.02) =   0.005%
          QE    LYS+ 102 - HE3   TRP   27  17.47 +/- 3.41   0.556% *  0.5405% (0.96   1.0   0.02   0.02) =   0.003%
          QE    LYS+  99 - HN    LEU   67  13.81 +/- 4.15   1.649% *  0.0728% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    LEU   67  15.58 +/- 3.07   0.764% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HE3   TRP   27  14.60 +/- 2.23   0.698% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    LEU   67  14.60 +/- 3.72   2.585% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  20.32 +/- 2.42   0.261% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  14.48 +/- 3.09   1.277% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.586, support = 2.18, residual support = 14.2:
          QD2   LEU   73 - HE3   TRP   27   3.69 +/- 1.80  29.746% * 23.5910% (0.28   3.13  21.30) =  42.227%  kept
          QG1   VAL   43 - HE3   TRP   27   7.36 +/- 3.41  12.650% * 46.9649% (0.99   1.73   3.77) =  35.750%  kept
          HG    LEU   31 - HE3   TRP   27   4.32 +/- 0.81  18.915% * 14.5042% (0.41   1.30  23.42) =  16.508%  kept
          QG1   VAL   41 - HE3   TRP   27   7.27 +/- 2.53   6.544% * 12.7465% (0.94   0.50   0.02) =   5.019%  kept
          QG2   VAL   18 - HN    LEU   67   7.92 +/- 3.80   7.996% *  0.4262% (0.14   0.11   0.02) =   0.205%  kept
          QD1   ILE   19 - HE3   TRP   27   6.61 +/- 1.39   9.547% *  0.2643% (0.48   0.02   0.02) =   0.152%  kept
          QG2   VAL   18 - HE3   TRP   27   8.94 +/- 1.21   1.985% *  0.5012% (0.91   0.02   0.02) =   0.060%
          QG2   THR   46 - HE3   TRP   27  11.66 +/- 1.99   1.192% *  0.4535% (0.83   0.02   0.02) =   0.033%
          QD2   LEU  104 - HE3   TRP   27  12.89 +/- 3.13   1.667% *  0.1852% (0.34   0.02   0.02) =   0.019%
          QD1   ILE   19 - HN    LEU   67  10.90 +/- 1.76   2.416% *  0.0411% (0.08   0.02   0.02) =   0.006%
          QG2   THR   46 - HN    LEU   67  11.32 +/- 2.61   1.189% *  0.0706% (0.13   0.02   0.02) =   0.005%
          QG1   VAL   41 - HN    LEU   67  11.45 +/- 1.62   0.941% *  0.0799% (0.15   0.02   0.02) =   0.005%
          QG1   VAL   43 - HN    LEU   67  11.26 +/- 0.84   0.853% *  0.0845% (0.15   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    LEU   67   9.26 +/- 0.94   2.434% *  0.0235% (0.04   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    LEU   67  14.98 +/- 3.15   1.170% *  0.0347% (0.06   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    LEU   67  13.77 +/- 3.21   0.755% *  0.0288% (0.05   0.02   0.02) =   0.001%
    Distance limit 5.03 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 = 0.427, support = 5.19, residual support = 17.1:
          QD1   LEU   73 - HE3   TRP   27   3.08 +/- 2.29  44.436% * 49.1977% (0.37   6.26  21.30) =  75.482%  kept
          QD2   LEU   80 - HE3   TRP   27  10.00 +/- 6.44  14.137% * 28.6500% (0.76   1.79   5.86) =  13.984%  kept
          QD1   LEU   63 - HE3   TRP   27  10.53 +/- 3.99  16.748% * 17.0536% (0.37   2.17   2.18) =   9.862%  kept
          QG1   VAL   83 - HE3   TRP   27   9.86 +/- 5.07   3.537% *  3.4340% (0.89   0.18   0.32) =   0.419%  kept
          QD1   LEU   63 - HN    LEU   67   5.66 +/- 0.87  10.187% *  0.5888% (0.06   0.48   0.02) =   0.207%  kept
          QD1   LEU  104 - HE3   TRP   27  12.92 +/- 3.82   1.877% *  0.3959% (0.94   0.02   0.02) =   0.026%
          QD1   LEU  104 - HN    LEU   67  12.88 +/- 3.50   3.344% *  0.0616% (0.15   0.02   0.02) =   0.007%
          QD2   LEU  115 - HE3   TRP   27  15.51 +/- 2.66   0.443% *  0.3039% (0.72   0.02   0.02) =   0.005%
          QG2   ILE   89 - HE3   TRP   27  12.89 +/- 2.69   0.526% *  0.1164% (0.28   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU   67  12.04 +/- 2.28   1.184% *  0.0473% (0.11   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    LEU   67  10.89 +/- 1.42   2.228% *  0.0244% (0.06   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    LEU   67  15.88 +/- 2.40   0.442% *  0.0584% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   67  16.18 +/- 2.07   0.343% *  0.0498% (0.12   0.02   0.02) =   0.001%
          QG2   ILE   89 - HN    LEU   67  14.97 +/- 1.96   0.567% *  0.0181% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 0.7, support = 0.62, residual support = 1.23:
          QG2   VAL   75 - HE3   TRP   27   6.10 +/- 2.75  41.882% * 78.7732% (0.72   0.67   1.38) =  88.587%  kept
          QG2   VAL   42 - HE3   TRP   27   8.45 +/- 1.45  20.076% * 20.5774% (0.56   0.23   0.02) =  11.092%  kept
          QG2   VAL   42 - HN    LEU   67   7.57 +/- 1.57  23.869% *  0.2845% (0.09   0.02   0.02) =   0.182%  kept
          QG2   VAL   75 - HN    LEU   67   9.76 +/- 1.02  14.173% *  0.3649% (0.11   0.02   0.02) =   0.139%  kept
    Distance limit 4.30 A violated in 7 structures by 0.93 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.73, residual support = 35.3:
      O T HB2   HIS   22 - HD2   HIS   22   3.81 +/- 0.31  95.638% * 99.9216% (0.92  10.0 10.00   2.73  35.30) =  99.998%  kept
          HA    LEU   63 - HD2   HIS   22  16.63 +/- 4.29   3.742% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 112 - HD2   HIS   22  23.50 +/- 5.13   0.620% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.32, residual support = 35.3:
      O T HB3   HIS   22 - HD2   HIS   22   3.18 +/- 0.42  99.370% * 99.8217% (0.45  10.0 10.00   3.32  35.30) =  99.999%  kept
          HD3   ARG+  54 - HD2   HIS   22  21.94 +/- 5.39   0.630% *  0.1783% (0.80   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 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.832, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22   9.13 +/- 3.01  47.494% * 29.7119% (0.92   0.02   0.02) =  62.676%  kept
          QB    CYS   50 - HD2   HIS   22  17.32 +/- 4.34  13.765% * 28.8658% (0.90   0.02   0.02) =  17.648%  kept
          HB3   ASP-  78 - HD2   HIS   22  15.52 +/- 3.64  12.529% * 19.5221% (0.61   0.02   0.02) =  10.864%  kept
          HB2   PHE   72 - HD2   HIS   22  12.57 +/- 1.77  20.512% *  4.9662% (0.15   0.02   0.02) =   4.524%  kept
          HB3   ASN   69 - HD2   HIS   22  20.53 +/- 1.50   5.700% * 16.9340% (0.53   0.02   0.02) =   4.287%  kept
    Distance limit 5.07 A violated in 15 structures by 3.36 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.23, residual support = 6.18:
        T QB    ALA   20 - HD2   HIS   22   3.44 +/- 0.76  95.785% * 98.9678% (0.28 10.00   2.23   6.18) =  99.991%  kept
          QG2   VAL  107 - HD2   HIS   22  18.22 +/- 2.92   0.978% *  0.3088% (0.87  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HD2   HIS   22  21.02 +/- 5.11   0.719% *  0.3435% (0.97  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - HD2   HIS   22  24.74 +/- 6.00   0.495% *  0.2303% (0.65  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HD2   HIS   22  16.40 +/- 2.62   1.320% *  0.0704% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HD2   HIS   22  24.29 +/- 5.78   0.703% *  0.0792% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 4.67 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  18.67 +/- 2.57 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.01 A violated in 20 structures by 13.66 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.945, support = 3.23, residual support = 8.64:
          HA    CYS   21 - HD2   HIS   22   3.81 +/- 0.18  78.327% * 97.4314% (0.95   3.23   8.65) =  99.917%  kept
          HA    ALA   47 - HD2   HIS   22  18.65 +/- 4.89  14.246% *  0.1770% (0.28   0.02   0.02) =   0.033%
          HA    TRP   49 - HD2   HIS   22  21.28 +/- 5.32   2.607% *  0.6368% (1.00   0.02   0.02) =   0.022%
          HA    LYS+ 102 - HD2   HIS   22  22.87 +/- 6.20   3.125% *  0.4119% (0.65   0.02   0.02) =   0.017%
          HA    CYS   50 - HD2   HIS   22  20.50 +/- 4.87   1.040% *  0.6024% (0.95   0.02   0.02) =   0.008%
          HA1   GLY  109 - HD2   HIS   22  26.99 +/- 3.09   0.262% *  0.6145% (0.97   0.02   0.02) =   0.002%
          HA    VAL  108 - HD2   HIS   22  23.80 +/- 2.89   0.393% *  0.1260% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.963, support = 3.2, residual support = 46.1:
          HA    ASN   28 - HD1   TRP   27   3.95 +/- 0.46  63.129% * 79.0788% (1.00   3.22  47.32) =  95.222%  kept
          HA    THR   26 - HD1   TRP   27   6.82 +/- 0.55  13.117% * 18.5267% (0.28   2.71  22.71) =   4.635%  kept
          HA1   GLY  101 - HD1   TRP   27  16.71 +/- 5.89   7.692% *  0.3756% (0.76   0.02   0.02) =   0.055%
          HA    ARG+  54 - HD1   TRP   27  21.45 +/- 4.98   8.373% *  0.3376% (0.69   0.02   0.02) =   0.054%
          HA    ALA   34 - HD1   TRP   27  12.89 +/- 0.62   1.925% *  0.4537% (0.92   0.02   0.02) =   0.017%
          HA    LYS+  81 - HD1   TRP   27  15.49 +/- 6.38   3.660% *  0.0973% (0.20   0.02   0.02) =   0.007%
          HA    LEU  115 - HD1   TRP   27  21.47 +/- 3.21   0.516% *  0.4872% (0.99   0.02   0.02) =   0.005%
          HA    ALA  124 - HD1   TRP   27  26.85 +/- 6.52   0.525% *  0.2783% (0.57   0.02   0.02) =   0.003%
          HA    GLU- 114 - HD1   TRP   27  25.24 +/- 3.23   0.290% *  0.2981% (0.61   0.02   0.02) =   0.002%
          HA    GLU-  36 - HD1   TRP   27  17.44 +/- 0.70   0.773% *  0.0665% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.66 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 = 5.08, residual support = 26.6:
          HA    VAL   24 - HD1   TRP   27   2.53 +/- 0.56  96.679% * 99.5188% (1.00   5.08  26.62) =  99.995%  kept
          HD2   PRO   68 - HD1   TRP   27  18.64 +/- 4.91   1.409% *  0.1339% (0.34   0.02   0.02) =   0.002%
          HA    LYS+  38 - HD1   TRP   27  15.63 +/- 1.62   0.663% *  0.2696% (0.69   0.02   0.02) =   0.002%
          HA    ALA   61 - HD1   TRP   27  14.97 +/- 3.44   1.248% *  0.0777% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.43 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 = 101.0:
      O T HB2   TRP   27 - HD1   TRP   27   2.69 +/- 0.11  98.461% * 99.7544% (0.65  10.0 10.00   3.65 100.96) =  99.998%  kept
          HA    THR   77 - HD1   TRP   27  13.95 +/- 4.02   1.290% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   93 - HD1   TRP   27  20.92 +/- 3.05   0.249% *  0.0998% (0.65   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 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.08, residual support = 100.9:
      O T HB3   TRP   27 - HD1   TRP   27   3.76 +/- 0.10  92.571% * 99.6316% (0.73  10.0 10.00   4.08 100.96) =  99.990%  kept
          HB3   PHE   60 - HD1   TRP   27  16.54 +/- 4.06   3.627% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PHE   97 - HD1   TRP   27  17.01 +/- 3.29   2.162% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HD1   TRP   27  17.61 +/- 3.72   1.640% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.50 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 = 0.757, support = 3.44, residual support = 26.6:
        T QG2   VAL   24 - HD1   TRP   27   2.21 +/- 0.45  75.858% * 92.6578% (0.76 10.00   3.45  26.62) =  98.368%  kept
          QG1   VAL   24 - HD1   TRP   27   4.02 +/- 0.75  21.757% *  5.2380% (0.31  1.00   2.80  26.62) =   1.595%  kept
          HG    LEU   63 - HD1   TRP   27  15.68 +/- 4.76   1.944% *  1.2659% (0.61  1.00   0.34   2.18) =   0.034%
        T QG1   VAL  107 - HD1   TRP   27  17.29 +/- 2.30   0.235% *  0.7843% (0.65 10.00   0.02   0.02) =   0.003%
          HD3   LYS+ 112 - HD1   TRP   27  23.53 +/- 4.12   0.104% *  0.0270% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  23.40 +/- 3.83   0.102% *  0.0270% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 0.703, support = 2.68, residual support = 9.29:
          QD2   LEU   80 - HD1   TRP   27   9.42 +/- 7.39  27.443% * 40.2861% (0.87   2.78   5.86) =  47.803%  kept
          QD1   LEU   73 - HD1   TRP   27   5.73 +/- 2.12  24.126% * 27.8341% (0.49   3.42  21.30) =  29.035%  kept
          QD1   LEU   63 - HD1   TRP   27  13.08 +/- 4.95  17.684% * 16.0483% (0.49   1.97   2.18) =  12.271%  kept
          QG1   VAL   83 - HD1   TRP   27   9.31 +/- 6.33  16.319% * 15.1549% (0.80   1.13   0.32) =  10.693%  kept
          QD1   LEU  104 - HD1   TRP   27  15.02 +/- 4.42  13.167% *  0.3313% (0.99   0.02   0.02) =   0.189%  kept
          QD2   LEU  115 - HD1   TRP   27  17.55 +/- 2.90   0.568% *  0.2792% (0.84   0.02   0.02) =   0.007%
          QG2   ILE   89 - HD1   TRP   27  13.58 +/- 3.89   0.692% *  0.0662% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.12 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 = 0.763, support = 1.81, residual support = 20.3:
          QD2   LEU   31 - HD1   TRP   27   4.31 +/- 0.71  63.382% * 75.7961% (0.73   2.02  23.42) =  86.434%  kept
          QG2   VAL   83 - HD1   TRP   27  10.02 +/- 5.57  32.217% * 23.2773% (1.00   0.45   0.32) =  13.493%  kept
          QD1   ILE   89 - HD1   TRP   27  12.59 +/- 3.84   4.401% *  0.9267% (0.90   0.02   0.02) =   0.073%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.281, support = 1.29, residual support = 100.1:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  84.379% * 95.7293% (0.28  10.0 10.00   1.29 100.96) =  99.181%  kept
          HZ    PHE   72 - HH2   TRP   27   9.99 +/- 3.61  15.621% *  4.2707% (0.69   1.0  1.00   0.36   0.02) =   0.819%  kept
    Distance limit 4.82 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 = 101.0:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.07 100.96) = 100.000%  kept
    Distance limit 5.07 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 = 101.0:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  94.004% * 99.6517% (1.00  10.0   1.55 100.96) =  99.996%  kept
          HN    THR   23 - HZ3   TRP   27   9.71 +/- 1.02   1.958% *  0.0781% (0.61   1.0   0.02   1.20) =   0.002%
          QE    PHE   95 - HZ3   TRP   27  11.96 +/- 2.52   1.566% *  0.0833% (0.65   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HZ3   TRP   27  18.69 +/- 3.16   0.352% *  0.1262% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  12.70 +/- 2.68   1.324% *  0.0321% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  15.96 +/- 5.07   0.796% *  0.0287% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 5.10 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 = 0.875, support = 1.32, residual support = 6.51:
        T QG1   VAL   43 - HH2   TRP   27   5.90 +/- 3.74  26.525% * 79.9725% (0.92 10.00   1.19   3.77) =  84.154%  kept
          HG    LEU   31 - HH2   TRP   27   4.38 +/- 1.35  23.823% * 10.3357% (0.65  1.00   2.19  23.42) =   9.768%  kept
          QD2   LEU   73 - HH2   TRP   27   5.22 +/- 1.92  16.469% *  7.5373% (0.49  1.00   2.13  21.30) =   4.925%  kept
          QG1   VAL   41 - HH2   TRP   27   6.19 +/- 2.07  15.175% *  1.8580% (1.00  1.00   0.26   0.02) =   1.119%  kept
          QG2   THR   46 - HH2   TRP   27  11.79 +/- 2.72   3.011% *  0.0884% (0.61  1.00   0.02   0.02) =   0.011%
          QD1   ILE   19 - HH2   TRP   27   9.10 +/- 2.03   4.877% *  0.0405% (0.28  1.00   0.02   0.02) =   0.008%
          QD2   LEU  104 - HH2   TRP   27  11.04 +/- 3.54   6.935% *  0.0255% (0.18  1.00   0.02   0.02) =   0.007%
          QG2   VAL   18 - HH2   TRP   27  10.94 +/- 1.79   1.532% *  0.1058% (0.73  1.00   0.02   0.02) =   0.006%
          QD1   ILE   56 - HH2   TRP   27  14.78 +/- 3.15   1.653% *  0.0363% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 4.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 1.88, residual support = 6.73:
        T QG1   VAL   43 - HZ3   TRP   27   6.16 +/- 3.42  20.861% * 83.2532% (0.92 10.00   1.81   3.77) =  81.341%  kept
          HG    LEU   31 - HZ3   TRP   27   4.05 +/- 1.48  23.249% *  7.8349% (0.65  1.00   2.44  23.42) =   8.531%  kept
          QD2   LEU   73 - HZ3   TRP   27   3.76 +/- 1.92  29.723% *  5.6070% (0.49  1.00   2.32  21.30) =   7.805%  kept
          QG1   VAL   41 - HZ3   TRP   27   5.96 +/- 2.39  15.867% *  3.1025% (1.00  1.00   0.63   0.02) =   2.306%  kept
          QD1   ILE   19 - HZ3   TRP   27   7.41 +/- 1.72   4.947% *  0.0277% (0.28  1.00   0.02   0.02) =   0.006%
          QG2   VAL   18 - HZ3   TRP   27   9.42 +/- 1.65   1.477% *  0.0722% (0.73  1.00   0.02   0.02) =   0.005%
          QG2   THR   46 - HZ3   TRP   27  11.38 +/- 2.23   0.960% *  0.0603% (0.61  1.00   0.02   0.02) =   0.003%
          QD2   LEU  104 - HZ3   TRP   27  11.58 +/- 3.01   2.345% *  0.0174% (0.18  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HZ3   TRP   27  14.42 +/- 2.62   0.572% *  0.0248% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.64 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 = 0.891, support = 3.07, residual support = 17.9:
        T QD1   LEU   73 - HZ3   TRP   27   3.96 +/- 2.34  32.273% * 60.4584% (0.90 10.00   3.49  21.30) =  81.972%  kept
        T QD1   LEU   63 - HZ3   TRP   27  10.04 +/- 3.63  10.783% * 35.0138% (0.90 10.00   1.16   2.18) =  15.862%  kept
          QD2   LEU   80 - HZ3   TRP   27  10.62 +/- 5.93  11.536% *  2.8235% (0.53  1.00   1.59   5.86) =   1.368%  kept
          QD2   LEU   63 - HZ3   TRP   27   9.58 +/- 3.08  11.997% *  1.4185% (0.84  1.00   0.50   2.18) =   0.715%  kept
        T QD1   LEU  104 - HZ3   TRP   27  11.65 +/- 3.71   7.487% *  0.2081% (0.31 10.00   0.02   0.02) =   0.065%
          QG2   VAL   41 - HZ3   TRP   27   5.89 +/- 2.83  16.587% *  0.0187% (0.28  1.00   0.02   0.02) =   0.013%
          QD1   LEU   80 - HZ3   TRP   27  11.57 +/- 5.76   5.406% *  0.0104% (0.15  1.00   0.02   5.86) =   0.002%
          QD2   LEU   98 - HZ3   TRP   27   8.62 +/- 3.33   3.358% *  0.0104% (0.15  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HZ3   TRP   27  14.81 +/- 2.41   0.573% *  0.0382% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.765, support = 3.28, residual support = 23.4:
        T QD2   LEU   31 - HZ3   TRP   27   3.04 +/- 0.76  76.862% * 99.1219% (0.76 10.00   3.29  23.42) =  99.808%  kept
          QG2   VAL   83 - HZ3   TRP   27   9.80 +/- 4.33  18.414% *  0.7656% (1.00  1.00   0.12   0.32) =   0.185%  kept
          QD1   ILE   89 - HZ3   TRP   27  11.01 +/- 2.80   4.724% *  0.1125% (0.87  1.00   0.02   0.02) =   0.007%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.767, support = 3.46, residual support = 23.1:
          QD2   LEU   31 - HH2   TRP   27   3.25 +/- 0.70  69.473% * 95.1915% (0.76   3.51  23.42) =  98.559%  kept
          QG2   VAL   83 - HH2   TRP   27   9.40 +/- 4.78  21.774% *  4.1924% (1.00   0.12   0.32) =   1.360%  kept
          QD1   ILE   89 - HH2   TRP   27  10.49 +/- 3.61   8.753% *  0.6161% (0.87   0.02   0.02) =   0.080%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.96, support = 2.82, residual support = 16.6:
          QD1   LEU   73 - HH2   TRP   27   5.40 +/- 2.26  23.702% * 56.1942% (1.00   3.39  21.30) =  74.146%  kept
          QD1   LEU   63 - HH2   TRP   27  10.64 +/- 4.01  12.308% * 20.9912% (1.00   1.27   2.18) =  14.383%  kept
          QD2   LEU   80 - HH2   TRP   27  10.86 +/- 5.80   8.496% * 18.0624% (0.76   1.42   5.86) =   8.543%  kept
          QD2   LEU   63 - HH2   TRP   27  10.28 +/- 3.32   9.198% *  3.0126% (0.61   0.30   2.18) =   1.542%  kept
          QG2   VAL   41 - HH2   TRP   27   6.06 +/- 2.52  18.321% *  0.8287% (0.14   0.37   0.02) =   0.845%  kept
          QG1   VAL   83 - HH2   TRP   27   9.26 +/- 5.30  16.090% *  0.4695% (0.15   0.18   0.32) =   0.421%  kept
          QD1   LEU  104 - HH2   TRP   27  11.32 +/- 3.96  11.057% *  0.1750% (0.53   0.02   0.02) =   0.108%  kept
          QD2   LEU  115 - HH2   TRP   27  15.01 +/- 2.48   0.828% *  0.2663% (0.80   0.02   0.02) =   0.012%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.29, residual support = 101.0:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.29 100.96) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (7.62, 6.75, 114.38 ppm):
    5 chemical-shift based assignments, quality = 0.892, support = 2.13, residual support = 37.7:
          HD21  ASN   28 - HZ2   TRP   27   5.07 +/- 0.84  44.246% * 74.4936% (0.87   2.55  47.32) =  76.956%  kept
          HZ2   TRP   87 - HZ2   TRP   27   9.65 +/- 7.16  39.682% * 24.7578% (0.98   0.75   5.59) =  22.938%  kept
          QE    PHE   60 - HZ2   TRP   27  11.81 +/- 3.35   7.044% *  0.4627% (0.69   0.02   0.02) =   0.076%
          HN    LEU   63 - HZ2   TRP   27  14.72 +/- 3.75   4.851% *  0.1679% (0.25   0.02   2.18) =   0.019%
          HN    ILE   56 - HZ2   TRP   27  19.72 +/- 4.18   4.178% *  0.1180% (0.18   0.02   0.02) =   0.012%
    Distance limit 4.89 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 = 101.0:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.46 100.96) = 100.000%  kept
    Distance limit 4.81 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 = 5.59:
          HE1   TRP   87 - HZ2   TRP   27  10.42 +/- 6.97 100.000% *100.0000% (0.92   2.00   5.59) = 100.000%  kept
    Distance limit 4.73 A violated in 10 structures by 6.03 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.621, support = 3.14, residual support = 17.0:
        T QD2   LEU   31 - HZ2   TRP   27   3.27 +/- 0.49  63.231% * 54.5467% (0.49 10.00   4.23  23.42) =  67.360%  kept
        T QG2   VAL   43 - HZ2   TRP   27   6.48 +/- 3.52  36.769% * 45.4533% (0.90 10.00   0.90   3.77) =  32.640%  kept
    Distance limit 4.26 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 = 0.899, support = 3.11, residual support = 14.1:
        T QD1   ILE   89 - QD    PHE   45   2.54 +/- 0.90  81.101% * 87.9742% (0.90 10.00   3.13  14.47) =  97.481%  kept
          QG2   VAL   83 - QD    PHE   45   5.10 +/- 1.42  15.404% * 11.9546% (1.00  1.00   2.44   1.50) =   2.516%  kept
          QD2   LEU   31 - QD    PHE   45  10.41 +/- 2.19   3.494% *  0.0712% (0.73  1.00   0.02   0.02) =   0.003%
    Distance limit 4.11 A violated in 0 structures by 0.06 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.969, support = 2.93, residual support = 11.3:
          QD1   ILE   89 - QE    PHE   45   2.56 +/- 1.00  64.265% * 60.1706% (0.97   3.21  14.47) =  75.243%  kept
          QG2   VAL   83 - QE    PHE   45   4.03 +/- 1.83  32.113% * 39.5935% (0.98   2.08   1.50) =  24.741%  kept
          QD2   LEU   31 - QE    PHE   45   9.68 +/- 2.69   3.622% *  0.2359% (0.61   0.02   0.02) =   0.017%
    Distance limit 4.03 A violated in 1 structures by 0.09 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.997, support = 3.1, residual support = 17.5:
        T QG1   VAL   75 - QD    PHE   45   3.73 +/- 3.16  75.647% * 99.9034% (1.00 10.00   3.10  17.53) =  99.969%  kept
          QD1   LEU  115 - QD    PHE   45   8.69 +/- 1.74  24.353% *  0.0966% (0.97  1.00   0.02   0.02) =   0.031%
    Distance limit 4.32 A violated in 3 structures by 0.94 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.988, support = 2.12, residual support = 17.5:
        T HB    VAL   75 - QD    PHE   45   5.30 +/- 3.32  45.276% * 98.5492% (0.99 10.00   2.13  17.53) =  99.555%  kept
          HG3   LYS+  74 - QD    PHE   45   9.41 +/- 3.05  14.643% *  1.2304% (0.38  1.00   0.66   0.02) =   0.402%  kept
          QG2   ILE  103 - QD    PHE   45   8.71 +/- 1.40  14.903% *  0.0484% (0.49  1.00   0.02   0.02) =   0.016%
          QD2   LEU   40 - QD    PHE   45  10.17 +/- 0.97   8.233% *  0.0643% (0.65  1.00   0.02   0.02) =   0.012%
          QD1   LEU   67 - QD    PHE   45   9.60 +/- 1.65   7.034% *  0.0603% (0.61  1.00   0.02   0.02) =   0.009%
          QD1   ILE  119 - QD    PHE   45  10.62 +/- 1.59   6.131% *  0.0339% (0.34  1.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - QD    PHE   45  12.58 +/- 1.90   3.781% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 4 structures by 0.99 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.58, support = 3.34, residual support = 11.5:
        T QG2   THR   77 - QD    PHE   45   4.76 +/- 3.90  49.027% * 71.7678% (0.65 10.00   3.14  10.19) =  83.358%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.74 +/- 0.37  30.071% * 21.9549% (0.20 10.00   4.61  19.16) =  15.641%  kept
          QB    ALA   88 - QD    PHE   45   7.69 +/- 1.08   7.075% *  5.8780% (0.97  1.00   1.10   0.12) =   0.985%  kept
          HB3   LEU   80 - QD    PHE   45   7.97 +/- 2.32   7.103% *  0.0416% (0.38  1.00   0.02   0.02) =   0.007%
          HB2   LEU   63 - QD    PHE   45   9.86 +/- 1.61   3.244% *  0.0308% (0.28  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - QD    PHE   45  13.75 +/- 2.50   1.472% *  0.0673% (0.61  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD    PHE   45  15.62 +/- 1.55   0.676% *  0.0962% (0.87  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD    PHE   45  14.60 +/- 2.79   0.946% *  0.0584% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    PHE   45  19.72 +/- 1.28   0.385% *  0.1049% (0.95  1.00   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.09 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.699, support = 0.748, residual support = 24.5:
          QG2   THR   94 - QD    PHE   45   3.41 +/- 0.97  55.534% * 67.1270% (0.80   0.75  27.12) =  79.207%  kept
          HG12  ILE   89 - QD    PHE   45   4.66 +/- 1.28  37.326% * 25.8744% (0.31   0.75  14.47) =  20.521%  kept
          HD2   LYS+ 112 - QD    PHE   45  12.99 +/- 3.13   2.551% *  2.2355% (1.00   0.02   0.02) =   0.121%  kept
          HB3   LYS+ 112 - QD    PHE   45  13.11 +/- 2.77   2.156% *  1.7084% (0.76   0.02   0.02) =   0.078%
          HB3   LEU   71 - QD    PHE   45  14.25 +/- 2.07   0.996% *  2.2157% (0.99   0.02   0.02) =   0.047%
          HG3   LYS+ 111 - QD    PHE   45  13.62 +/- 2.54   1.436% *  0.8390% (0.38   0.02   0.02) =   0.026%
    Distance limit 4.64 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 = 2.52, residual support = 17.5:
        T QG1   VAL   75 - QE    PHE   45   4.31 +/- 2.93  73.795% * 99.9191% (0.90 10.00   2.52  17.53) =  99.971%  kept
          QD1   LEU  115 - QE    PHE   45   9.96 +/- 2.10  26.205% *  0.0809% (0.73  1.00   0.02   0.02) =   0.029%
    Distance limit 4.68 A violated in 3 structures by 0.83 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.598, support = 0.727, residual support = 14.0:
          HB    ILE   89 - QE    PHE   45   4.54 +/- 1.44  31.719% * 94.4406% (0.61   0.75  14.47) =  96.794%  kept
          HB    VAL   43 - QE    PHE   45   3.11 +/- 1.36  56.818% *  1.5584% (0.38   0.02   0.02) =   2.861%  kept
          QD    LYS+  81 - QE    PHE   45   9.85 +/- 2.75   3.877% *  1.2816% (0.31   0.02   0.02) =   0.161%  kept
          QG1   ILE   56 - QE    PHE   45  10.63 +/- 2.26   5.507% *  0.6407% (0.15   0.02   0.02) =   0.114%  kept
          HB2   LYS+  99 - QE    PHE   45  12.81 +/- 2.03   1.057% *  1.1545% (0.28   0.02   0.02) =   0.039%
          HB3   LYS+  99 - QE    PHE   45  13.25 +/- 1.99   1.023% *  0.9244% (0.22   0.02   0.02) =   0.031%
    Distance limit 4.76 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 = 8.3:
          HB3   MET   96 - QE    PHE   45   4.20 +/- 1.85  69.954% * 93.6079% (0.45   2.00   8.35) =  99.419%  kept
          HB    VAL   18 - QE    PHE   45  13.73 +/- 5.19   8.179% *  1.4376% (0.69   0.02   0.02) =   0.179%  kept
          HB2   LEU   40 - QE    PHE   45  13.35 +/- 0.88   5.561% *  1.7481% (0.84   0.02   0.02) =   0.148%  kept
          HB2   LEU   67 - QE    PHE   45  12.93 +/- 1.63  10.632% *  0.8604% (0.41   0.02   0.02) =   0.139%  kept
          HB3   ARG+  54 - QE    PHE   45  15.77 +/- 2.20   3.491% *  1.9319% (0.92   0.02   0.02) =   0.102%  kept
          HB3   GLU-  14 - QE    PHE   45  20.12 +/- 3.64   2.184% *  0.4142% (0.20   0.02   0.02) =   0.014%
    Distance limit 4.82 A violated in 2 structures by 0.48 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.264, support = 1.89, residual support = 7.71:
        T HB2   MET   96 - QE    PHE   45   4.17 +/- 1.89  48.299% * 79.6330% (0.22 10.00   1.96   8.35) =  91.115%  kept
          HB3   ASP-  76 - QE    PHE   45   7.85 +/- 2.86  21.334% * 16.4528% (0.73  1.00   1.24   1.14) =   8.315%  kept
          QG    GLN   90 - QE    PHE   45   8.01 +/- 1.24   9.247% *  1.7764% (0.22  1.00   0.44   0.02) =   0.389%  kept
        T HB3   PHE   72 - QE    PHE   45  10.08 +/- 1.94   5.113% *  0.6406% (0.18 10.00   0.02   0.02) =   0.078%
          HG3   MET   92 - QE    PHE   45  10.53 +/- 1.51   4.636% *  0.3530% (0.97  1.00   0.02   0.02) =   0.039%
          HB2   ASP- 105 - QE    PHE   45  11.01 +/- 2.12   3.596% *  0.3376% (0.92  1.00   0.02   0.02) =   0.029%
          HG12  ILE  119 - QE    PHE   45  13.47 +/- 2.55   4.185% *  0.1924% (0.53  1.00   0.02   0.02) =   0.019%
          HB2   GLU-  29 - QE    PHE   45  16.58 +/- 2.92   1.223% *  0.3280% (0.90  1.00   0.02   0.02) =   0.010%
          HG2   GLU- 100 - QE    PHE   45  16.07 +/- 2.04   0.897% *  0.2366% (0.65  1.00   0.02   0.02) =   0.005%
          QG    GLU-  14 - QE    PHE   45  17.52 +/- 3.05   1.472% *  0.0495% (0.14  1.00   0.02   0.02) =   0.002%
    Distance limit 5.07 A violated in 0 structures by 0.06 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.0:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  96.422% * 99.8696% (0.53  10.0 10.00   1.00  80.03) =  99.995%  kept
          HZ3   TRP   27 - QE    PHE   45   9.43 +/- 3.19   3.578% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.005%
    Distance limit 3.84 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 = 80.0:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  98.514% * 99.6976% (0.65  10.0   3.63  80.03) =  99.999%  kept
          HD2   HIS  122 - QE    PHE   45  14.18 +/- 3.49   0.652% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - QE    PHE   45  18.34 +/- 2.05   0.241% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  18.72 +/- 4.38   0.594% *  0.0305% (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 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 1.99, residual support = 8.33:
          HB3   MET   96 - QD    PHE   45   5.01 +/- 1.42  69.511% * 96.5028% (0.80   2.00   8.35) =  99.753%  kept
          HB2   LEU   40 - QD    PHE   45  13.84 +/- 0.57   5.020% *  1.2070% (1.00   0.02   0.02) =   0.090%
          HB3   ARG+  54 - QD    PHE   45  13.94 +/- 2.07   5.400% *  0.7321% (0.61   0.02   0.02) =   0.059%
          HB    VAL   18 - QD    PHE   45  13.44 +/- 4.94   8.430% *  0.4117% (0.34   0.02   0.02) =   0.052%
          HB2   LEU   67 - QD    PHE   45  12.65 +/- 1.65   8.892% *  0.1862% (0.15   0.02   0.02) =   0.025%
          HB3   GLU-  14 - QD    PHE   45  20.41 +/- 3.25   2.053% *  0.5875% (0.49   0.02   0.02) =   0.018%
          HG3   MET   11 - QD    PHE   45  27.82 +/- 4.50   0.694% *  0.3725% (0.31   0.02   0.02) =   0.004%
    Distance limit 5.02 A violated in 4 structures by 0.57 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.883, support = 2.07, residual support = 6.11:
          HB2   MET   96 - QD    PHE   45   4.94 +/- 1.50  47.143% * 49.7802% (0.87   2.13   8.35) =  69.001%  kept
          HB3   ASP-  76 - QD    PHE   45   7.73 +/- 2.25  21.633% * 48.4000% (0.92   1.95   1.14) =  30.785%  kept
          HG3   MET   92 - QD    PHE   45   8.80 +/- 1.49  13.736% *  0.1835% (0.34   0.02   0.02) =   0.074%
          HB2   ASP- 105 - QD    PHE   45  11.13 +/- 1.79   4.605% *  0.3906% (0.73   0.02   0.02) =   0.053%
          HB    VAL   70 - QD    PHE   45  11.92 +/- 1.57   4.343% *  0.2411% (0.45   0.02   0.02) =   0.031%
          QG    GLN   17 - QD    PHE   45  15.27 +/- 3.79   4.621% *  0.2019% (0.38   0.02   0.02) =   0.027%
          HG2   GLU- 100 - QD    PHE   45  17.30 +/- 1.69   1.158% *  0.5191% (0.97   0.02   0.02) =   0.018%
          HB2   GLU-  25 - QD    PHE   45  17.44 +/- 2.56   1.358% *  0.1495% (0.28   0.02   0.02) =   0.006%
          HB2   GLU-  29 - QD    PHE   45  17.19 +/- 2.20   1.404% *  0.1341% (0.25   0.02   0.02) =   0.006%
    Distance limit 5.27 A violated in 0 structures by 0.20 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.07, residual support = 80.0:
      O T HB3   PHE   45 - QD    PHE   45   2.56 +/- 0.18  87.920% * 99.5701% (0.80  10.0 10.00   5.07  80.03) =  99.989%  kept
          HB3   ASP-  86 - QD    PHE   45   8.66 +/- 1.23   3.004% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 112 - QD    PHE   45  11.20 +/- 2.77   2.284% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  62 - QD    PHE   45  10.93 +/- 2.80   3.472% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - QD    PHE   45   8.33 +/- 1.09   3.041% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - QD    PHE   45  18.39 +/- 2.32   0.278% *  0.1200% (0.97   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.37, residual support = 80.0:
      O T HB2   PHE   45 - QD    PHE   45   2.45 +/- 0.17  96.764% * 99.8423% (0.97  10.0 10.00   4.37  80.03) =  99.997%  kept
          QE    LYS+ 111 - QD    PHE   45  12.65 +/- 2.75   1.772% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - QD    PHE   45  11.89 +/- 3.23   1.464% *  0.0544% (0.53   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 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.686, support = 2.92, residual support = 26.8:
          HB    THR   94 - QD    PHE   45   3.14 +/- 0.74  71.379% * 83.5154% (0.69   2.96  27.12) =  98.711%  kept
          QB    SER   85 - QD    PHE   45   9.06 +/- 1.54   5.398% *  9.2052% (0.95   0.24   0.02) =   0.823%  kept
          HA    ALA   88 - QD    PHE   45   8.59 +/- 1.37   6.932% *  2.7542% (0.15   0.43   0.12) =   0.316%  kept
          QB    SER   48 - QD    PHE   45   9.45 +/- 1.07   4.946% *  0.6584% (0.80   0.02   0.02) =   0.054%
          HA    LYS+  65 - QD    PHE   45  12.45 +/- 2.85   3.612% *  0.7375% (0.90   0.02   0.02) =   0.044%
          HA2   GLY   51 - QD    PHE   45  13.57 +/- 1.36   1.643% *  0.4326% (0.53   0.02   0.02) =   0.012%
          HA2   GLY   16 - QD    PHE   45  18.87 +/- 4.64   0.836% *  0.7779% (0.95   0.02   0.02) =   0.011%
          HA    ALA  120 - QD    PHE   45  17.24 +/- 2.06   0.709% *  0.7936% (0.97   0.02   0.02) =   0.009%
          HD2   PRO   52 - QD    PHE   45  11.59 +/- 1.33   1.960% *  0.2538% (0.31   0.02   0.02) =   0.008%
          HA    LYS+ 121 - QD    PHE   45  17.14 +/- 2.77   0.754% *  0.4988% (0.61   0.02   0.02) =   0.006%
          QB    SER  117 - QD    PHE   45  13.67 +/- 1.54   1.122% *  0.2286% (0.28   0.02   0.02) =   0.004%
          HA    GLN   32 - QD    PHE   45  17.69 +/- 2.36   0.709% *  0.1440% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.336, support = 4.28, residual support = 18.3:
          HA    ASP-  44 - QD    PHE   45   3.35 +/- 0.83  54.891% * 74.7297% (0.34   4.55  19.16) =  92.566%  kept
          HB    THR   77 - QD    PHE   45   6.83 +/- 4.28  21.988% * 11.7506% (0.28   0.88  10.19) =   5.831%  kept
          HA    SER   85 - QD    PHE   45   8.80 +/- 1.79   7.001% *  9.1852% (0.28   0.69   0.02) =   1.451%  kept
          HA    ASP-  86 - QD    PHE   45   9.94 +/- 1.26   3.634% *  0.9429% (0.98   0.02   0.02) =   0.077%
          HA    TRP   87 - QD    PHE   45   8.06 +/- 1.36   7.878% *  0.1484% (0.15   0.02   0.02) =   0.026%
          HA    LEU  104 - QD    PHE   45  13.56 +/- 1.88   1.437% *  0.8035% (0.84   0.02   0.02) =   0.026%
          HA    ILE  103 - QD    PHE   45  11.28 +/- 1.74   2.504% *  0.1904% (0.20   0.02   0.02) =   0.011%
          HA    GLU-  14 - QD    PHE   45  20.29 +/- 3.04   0.323% *  0.9598% (1.00   0.02   0.02) =   0.007%
          HA    ALA   12 - QD    PHE   45  25.13 +/- 3.57   0.175% *  0.9284% (0.97   0.02   0.02) =   0.004%
          HA    MET   11 - QD    PHE   45  26.98 +/- 4.15   0.167% *  0.3610% (0.38   0.02   0.02) =   0.001%
    Distance limit 5.14 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 = 79.9:
          HA    PHE   45 - QD    PHE   45   2.85 +/- 0.59  82.664% * 96.8646% (0.25   5.08  80.03) =  99.882%  kept
          HA    MET   92 - QD    PHE   45   6.94 +/- 1.92  14.287% *  0.3814% (0.25   0.02   0.02) =   0.068%
          HA    VAL   41 - QD    PHE   45  10.54 +/- 0.80   2.242% *  1.2246% (0.80   0.02   0.02) =   0.034%
          HA    HIS  122 - QD    PHE   45  16.48 +/- 3.26   0.808% *  1.5294% (1.00   0.02   0.02) =   0.015%
    Distance limit 5.03 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 = 5.45, residual support = 67.6:
          HN    PHE   45 - QD    PHE   45   2.37 +/- 0.76  73.269% * 56.7051% (0.45   5.74  80.03) =  79.644%  kept
          HN    ASP-  44 - QD    PHE   45   4.04 +/- 0.65  24.811% * 42.7773% (0.45   4.33  19.16) =  20.345%  kept
          HN    ALA  110 - QD    PHE   45  11.40 +/- 2.08   1.496% *  0.3029% (0.69   0.02   0.02) =   0.009%
          HN    GLU-  25 - QD    PHE   45  15.49 +/- 2.91   0.424% *  0.2146% (0.49   0.02   0.02) =   0.002%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 80.0:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  98.526% * 99.7606% (0.98  10.0   1.00  80.03) =  99.998%  kept
          QD    PHE   72 - HZ    PHE   45   9.88 +/- 1.78   1.278% *  0.1766% (0.87   1.0   0.02   0.02) =   0.002%
          HD22  ASN   69 - HZ    PHE   45  18.88 +/- 2.77   0.196% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.611, support = 4.42, residual support = 54.3:
          HN    TRP   49 - HD1   TRP   49   2.68 +/- 1.04  75.101% * 33.6838% (0.38   4.89  85.95) =  60.972%  kept
          HN    CYS   50 - HD1   TRP   49   4.41 +/- 0.91  24.497% * 66.0936% (0.98   3.68   4.86) =  39.025%  kept
          HN    VAL   83 - HD1   TRP   49  16.55 +/- 3.59   0.402% *  0.2225% (0.61   0.02   0.02) =   0.002%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.31, residual support = 85.9:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.31  85.95) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 85.9:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  82.700% * 99.8040% (0.41  10.0   1.00  85.95) =  99.984%  kept
          QD    PHE   97 - HZ2   TRP   49  14.91 +/- 4.83  17.112% *  0.0749% (0.15   1.0   0.02   0.02) =   0.016%
          HE21  GLN   30 - HZ2   TRP   49  22.47 +/- 3.99   0.188% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 85.9:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  85.95) = 100.000%  kept
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 85.9:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.762% * 99.8708% (1.00  10.0   1.00  85.95) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  21.17 +/- 3.39   0.238% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.896, support = 1.41, residual support = 9.36:
          QD1   ILE   89 - HZ    PHE   45   3.80 +/- 1.17  48.356% * 59.5313% (0.84   1.70  14.47) =  60.668%  kept
          QG2   VAL   83 - HZ    PHE   45   4.27 +/- 2.49  46.813% * 39.7984% (0.99   0.96   1.50) =  39.264%  kept
          QD2   LEU   31 - HZ    PHE   45  10.91 +/- 3.31   4.831% *  0.6703% (0.80   0.02   0.02) =   0.068%
    Distance limit 4.88 A violated in 1 structures by 0.10 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.73, residual support = 85.9:
      O T HB2   TRP   49 - HD1   TRP   49   3.83 +/- 0.23  87.720% * 99.5547% (0.65  10.0 10.00   4.73  85.95) =  99.991%  kept
          HA    ALA   84 - HD1   TRP   49  14.17 +/- 4.03   3.022% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   75 - HD1   TRP   49  14.79 +/- 2.29   1.856% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HD1   TRP   49  15.48 +/- 2.53   3.280% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR  118 - HD1   TRP   49  21.28 +/- 3.38   1.131% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - HD1   TRP   49  16.55 +/- 4.32   2.169% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HD1   TRP   49  20.15 +/- 2.60   0.822% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.75, residual support = 85.9:
      O T HB3   TRP   49 - HD1   TRP   49   2.90 +/- 0.20  99.094% * 99.9191% (0.90  10.0 10.00   4.75  85.95) =  99.999%  kept
          HB3   PHE   59 - HD1   TRP   49  15.21 +/- 2.16   0.906% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.834, support = 3.81, residual support = 15.6:
          QB    ALA   47 - HD1   TRP   49   3.05 +/- 1.28  68.812% * 99.0359% (0.84   3.81  15.67) =  99.848%  kept
          QG1   VAL   42 - HD1   TRP   49  14.65 +/- 3.22  11.052% *  0.4517% (0.73   0.02   0.02) =   0.073%
          QB    ALA   64 - HD1   TRP   49  14.64 +/- 3.03  15.488% *  0.2789% (0.45   0.02   0.02) =   0.063%
          HG2   LYS+ 112 - HD1   TRP   49  14.91 +/- 4.00   4.648% *  0.2335% (0.38   0.02   0.02) =   0.016%
    Distance limit 4.76 A violated in 1 structures by 0.15 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.844, support = 0.696, residual support = 2.95:
          HB3   PRO   52 - HZ2   TRP   49   8.70 +/- 4.50  28.852% * 60.4290% (0.87  1.00   0.75   3.23) =  91.140%  kept
          HG12  ILE  103 - HZ2   TRP   49  19.11 +/- 5.77   6.944% * 13.7194% (0.61  1.00   0.24   0.02) =   4.980%  kept
        T HG    LEU  123 - HZ2   TRP   49  22.14 +/- 3.91   1.257% * 16.1144% (0.87 10.00   0.02   0.02) =   1.059%  kept
          HB    ILE  103 - HZ2   TRP   49  19.86 +/- 6.39   7.911% *  1.3490% (0.73  1.00   0.02   0.02) =   0.558%  kept
          HB    VAL   41 - HZ2   TRP   49  19.85 +/- 5.80  11.820% *  0.8329% (0.45  1.00   0.02   0.02) =   0.515%  kept
          QB    LYS+ 106 - HZ2   TRP   49  14.15 +/- 4.32  10.303% *  0.6337% (0.34  1.00   0.02   0.02) =   0.341%  kept
          QB    LYS+  66 - HZ2   TRP   49  17.12 +/- 5.14  12.114% *  0.5165% (0.28  1.00   0.02   0.02) =   0.327%  kept
          HB3   GLN   90 - HZ2   TRP   49  13.18 +/- 4.30   7.132% *  0.8329% (0.45  1.00   0.02   0.02) =   0.311%  kept
          HG2   ARG+  54 - HZ2   TRP   49  11.94 +/- 1.83   4.635% *  1.2761% (0.69  1.00   0.02   0.02) =   0.309%  kept
          HB3   ASP- 105 - HZ2   TRP   49  18.24 +/- 5.13   2.648% *  1.2018% (0.65  1.00   0.02   0.02) =   0.166%  kept
          QB    LYS+  81 - HZ2   TRP   49  13.91 +/- 4.13   3.989% *  0.6972% (0.38  1.00   0.02   0.02) =   0.145%  kept
          HG3   PRO   68 - HZ2   TRP   49  23.28 +/- 5.40   1.146% *  1.4197% (0.76  1.00   0.02   0.02) =   0.085%
          QB    LYS+  33 - HZ2   TRP   49  24.07 +/- 4.61   1.249% *  0.9774% (0.53  1.00   0.02   0.02) =   0.064%
    Distance limit 4.68 A violated in 1 structures by 0.71 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 1.99, residual support = 15.6:
          QB    ALA   47 - HZ2   TRP   49   4.40 +/- 1.69  57.688% * 97.9731% (0.69   2.00  15.67) =  99.498%  kept
          QB    ALA   64 - HZ2   TRP   49  14.19 +/- 3.38  13.914% *  0.8645% (0.61   0.02   0.02) =   0.212%  kept
          QG1   VAL   42 - HZ2   TRP   49  13.64 +/- 3.75  14.182% *  0.8070% (0.57   0.02   0.02) =   0.201%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  13.51 +/- 4.15  14.215% *  0.3554% (0.25   0.02   0.02) =   0.089%
    Distance limit 4.61 A violated in 1 structures by 0.10 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.368, support = 0.698, residual support = 3.01:
          HG2   PRO   52 - HH2   TRP   49   7.39 +/- 4.95  35.926% * 73.0242% (0.34   0.75   3.23) =  92.946%  kept
          HG2   MET   92 - HH2   TRP   49  11.04 +/- 5.13  15.327% *  4.9520% (0.87   0.02   0.02) =   2.689%  kept
          QG    GLU- 114 - HH2   TRP   49  14.36 +/- 3.37   8.516% *  4.5712% (0.80   0.02   0.02) =   1.379%  kept
          HB2   GLU-  79 - HH2   TRP   49  17.35 +/- 3.59   8.435% *  4.1454% (0.73   0.02   0.02) =   1.239%  kept
          HB2   ASP-  44 - HH2   TRP   49  14.40 +/- 3.29  18.334% *  0.9998% (0.18   0.02   0.02) =   0.649%  kept
          HG3   GLU-  36 - HH2   TRP   49  30.94 +/- 6.88   3.225% *  4.9520% (0.87   0.02   0.02) =   0.566%  kept
          QB    MET   11 - HH2   TRP   49  31.79 +/- 6.25   1.305% *  3.9214% (0.69   0.02   0.02) =   0.181%  kept
          QG    GLU-  15 - HH2   TRP   49  25.73 +/- 5.08   3.014% *  1.4235% (0.25   0.02   0.02) =   0.152%  kept
          QG    GLU-  14 - HH2   TRP   49  25.65 +/- 5.19   4.323% *  0.8808% (0.15   0.02   0.02) =   0.135%  kept
          HG3   GLU-  25 - HH2   TRP   49  28.10 +/- 3.80   1.594% *  1.1298% (0.20   0.02   0.02) =   0.064%
    Distance limit 4.98 A violated in 7 structures by 1.72 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.856, support = 1.91, residual support = 3.06:
          HB3   PRO   52 - HH2   TRP   49   7.85 +/- 5.44  34.407% * 82.4286% (0.87   2.00   3.23) =  94.515%  kept
          HB    ILE  103 - HH2   TRP   49  20.60 +/- 7.25  11.957% * 11.8800% (0.73   0.34   0.02) =   4.734%  kept
          HB    VAL   41 - HH2   TRP   49  20.56 +/- 6.58  13.520% *  0.4260% (0.45   0.02   0.02) =   0.192%  kept
          HG12  ILE  103 - HH2   TRP   49  19.94 +/- 6.64   7.354% *  0.5764% (0.61   0.02   0.02) =   0.141%  kept
          QB    LYS+  66 - HH2   TRP   49  17.04 +/- 5.60  13.561% *  0.2642% (0.28   0.02   0.02) =   0.119%  kept
          QB    LYS+ 106 - HH2   TRP   49  14.97 +/- 4.41   7.908% *  0.3241% (0.34   0.02   0.02) =   0.085%
          HB3   ASP- 105 - HH2   TRP   49  18.69 +/- 5.44   3.993% *  0.6147% (0.65   0.02   0.02) =   0.082%
          HG2   ARG+  54 - HH2   TRP   49  11.31 +/- 2.18   2.336% *  0.6527% (0.69   0.02   0.02) =   0.051%
          HB3   GLN   90 - HH2   TRP   49  14.73 +/- 3.97   1.927% *  0.4260% (0.45   0.02   0.02) =   0.027%
          QB    LYS+  81 - HH2   TRP   49  15.33 +/- 3.85   1.362% *  0.3566% (0.38   0.02   0.02) =   0.016%
          HG    LEU  123 - HH2   TRP   49  21.82 +/- 4.19   0.494% *  0.8243% (0.87   0.02   0.02) =   0.014%
          HG3   PRO   68 - HH2   TRP   49  23.23 +/- 6.07   0.551% *  0.7262% (0.76   0.02   0.02) =   0.013%
          QB    LYS+  33 - HH2   TRP   49  24.67 +/- 5.16   0.630% *  0.5000% (0.53   0.02   0.02) =   0.010%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.257, support = 2.37, residual support = 20.6:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.03  78.124% * 72.2816% (0.25  10.0   2.36  21.00) =  97.794%  kept
          HD2   ARG+  54 - QD    PHE   55   6.43 +/- 1.27   4.710% * 25.3806% (0.61   1.0   2.89   4.27) =   2.070%  kept
          HB3   CYS   53 - QD    PHE   55   7.21 +/- 1.14   2.987% *  2.1495% (0.53   1.0   0.28   0.02) =   0.111%  kept
          HD3   PRO   93 - QD    PHE   55   9.75 +/- 3.96  13.915% *  0.0989% (0.34   1.0   0.02   0.02) =   0.024%
          HD3   PRO   68 - QD    PHE   55  17.74 +/- 3.17   0.264% *  0.0895% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.847, support = 2.07, residual support = 19.4:
          HA    PHE   55 - QD    PHE   55   3.00 +/- 0.37  82.431% * 63.2733% (0.84   2.16  21.00) =  92.405%  kept
          HA    ALA  110 - QD    PHE   55  10.33 +/- 4.47  12.039% * 35.4807% (1.00   1.01   0.10) =   7.568%  kept
          HA    GLN   90 - QD    PHE   55  16.36 +/- 3.27   0.988% *  0.6763% (0.97   0.02   0.02) =   0.012%
          HA    VAL  107 - QD    PHE   55  12.50 +/- 2.61   1.726% *  0.2390% (0.34   0.02   0.02) =   0.007%
          HA    ALA   91 - QD    PHE   55  13.64 +/- 3.48   2.195% *  0.1560% (0.22   0.02   0.02) =   0.006%
          HA    VAL   42 - QD    PHE   55  16.40 +/- 2.10   0.621% *  0.1747% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.53 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 = 0.494, support = 1.66, residual support = 3.27:
          HB3   LEU  115 - QD    PHE   55   7.92 +/- 2.60  23.348% * 48.7948% (0.31  1.00   2.43   4.96) =  65.515%  kept
          QB    ALA  110 - QD    PHE   55   8.37 +/- 3.71  25.071% * 11.2111% (0.80  1.00   0.22   0.10) =  16.164%  kept
          QB    ALA   61 - QD    PHE   55   9.65 +/- 1.08  11.647% * 18.2265% (0.97  1.00   0.29   0.02) =  12.208%  kept
        T QG    LYS+  66 - QD    PHE   55  13.37 +/- 2.10   5.527% * 12.3114% (0.95 10.00   0.02   0.02) =   3.913%  kept
        T HG    LEU   67 - QD    PHE   55  16.90 +/- 3.77   7.998% *  2.8975% (0.22 10.00   0.02   0.02) =   1.333%  kept
          HB3   LEU   67 - QD    PHE   55  16.36 +/- 3.10   3.457% *  1.3015% (1.00  1.00   0.02   0.02) =   0.259%  kept
          HG    LEU   73 - QD    PHE   55  17.69 +/- 3.87   2.200% *  1.0421% (0.80  1.00   0.02   0.02) =   0.132%  kept
          HB3   LYS+  74 - QD    PHE   55  16.97 +/- 3.59   8.557% *  0.2279% (0.18  1.00   0.02   0.02) =   0.112%  kept
          HG    LEU   80 - QD    PHE   55  20.25 +/- 3.96   1.606% *  1.0871% (0.84  1.00   0.02   0.02) =   0.100%  kept
          HG12  ILE   19 - QD    PHE   55  20.53 +/- 3.53   1.395% *  0.9451% (0.73  1.00   0.02   0.02) =   0.076%
          HD3   LYS+ 121 - QD    PHE   55  15.32 +/- 2.21   5.057% *  0.2576% (0.20  1.00   0.02   0.02) =   0.075%
          HB2   LEU   80 - QD    PHE   55  19.37 +/- 3.43   1.760% *  0.4017% (0.31  1.00   0.02   0.02) =   0.041%
          HG    LEU   40 - QD    PHE   55  18.57 +/- 2.84   1.739% *  0.4017% (0.31  1.00   0.02   0.02) =   0.040%
          HG2   LYS+ 102 - QD    PHE   55  24.82 +/- 2.39   0.638% *  0.8940% (0.69  1.00   0.02   0.02) =   0.033%
    Distance limit 4.42 A violated in 6 structures by 1.24 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.92, residual support = 4.9:
          QD2   LEU  115 - QD    PHE   55   5.76 +/- 1.70  52.763% * 87.8268% (0.87  1.00   1.94   4.96) =  98.689%  kept
        T QD2   LEU   80 - QD    PHE   55  17.28 +/- 3.09   2.862% *  8.7063% (0.84 10.00   0.02   0.02) =   0.531%  kept
          QD1   LEU   63 - QD    PHE   55   9.37 +/- 2.71  21.389% *  1.0400% (1.00  1.00   0.02   0.02) =   0.474%  kept
          QD2   LEU   63 - QD    PHE   55  10.34 +/- 2.84  12.716% *  0.5484% (0.53  1.00   0.02   0.02) =   0.149%  kept
          QD1   LEU   73 - QD    PHE   55  15.06 +/- 3.58   5.201% *  1.0400% (1.00  1.00   0.02   0.02) =   0.115%  kept
          QD1   LEU  104 - QD    PHE   55  16.60 +/- 2.26   2.269% *  0.6322% (0.61  1.00   0.02   0.02) =   0.031%
          QG1   VAL   83 - QD    PHE   55  16.83 +/- 2.70   2.799% *  0.2063% (0.20  1.00   0.02   0.02) =   0.012%
    Distance limit 4.61 A violated in 3 structures by 0.86 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.942, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   5.18 +/- 1.91  81.266% * 72.5341% (0.99   0.02   0.02) =  91.972%  kept
          HB3   TRP   49 - QE    PHE   95  13.43 +/- 3.20  18.734% * 27.4659% (0.38   0.02   0.02) =   8.028%  kept
    Distance limit 4.56 A violated in 7 structures by 1.05 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 = 0.626, support = 1.26, residual support = 8.83:
        T QE    LYS+ 112 - QE    PHE   95   6.36 +/- 2.52  24.880% * 78.6223% (0.69 10.00   1.08   3.68) =  80.369%  kept
          HB    VAL  107 - QE    PHE   95   4.52 +/- 0.71  34.768% *  8.7788% (0.28  1.00   2.97  46.01) =  12.540%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.15 +/- 2.30  17.620% *  7.3543% (0.57 10.00   0.12   0.02) =   5.324%  kept
          HB3   PHE   45 - QE    PHE   95   6.57 +/- 1.42  16.169% *  1.6266% (0.69  1.00   0.22   1.89) =   1.081%  kept
          HG3   MET   96 - QE    PHE   95   9.44 +/- 1.18   5.115% *  3.2050% (0.20  1.00   1.52  11.96) =   0.674%  kept
          HB3   ASP-  86 - QE    PHE   95  14.34 +/- 1.83   1.083% *  0.2010% (0.95  1.00   0.02   0.02) =   0.009%
          HG2   GLU-  29 - QE    PHE   95  20.47 +/- 2.02   0.365% *  0.2120% (1.00  1.00   0.02   0.02) =   0.003%
    Distance limit 5.11 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 = 0.678, support = 0.52, residual support = 0.259:
          QG1   ILE   56 - QE    PHE   95   4.88 +/- 1.92  30.979% * 21.8939% (0.53   0.50   0.42) =  46.600%  kept
          HD2   LYS+ 111 - QE    PHE   95  10.17 +/- 2.63  10.443% * 40.6424% (0.69   0.71   0.12) =  29.162%  kept
          QD    LYS+ 106 - QE    PHE   95   8.95 +/- 1.19   9.913% * 30.5902% (1.00   0.37   0.12) =  20.834%  kept
          HB2   LEU   73 - QE    PHE   95  11.58 +/- 3.11  11.326% *  1.5311% (0.92   0.02   0.02) =   1.191%  kept
          HB3   MET   92 - QE    PHE   95   8.33 +/- 2.24   8.152% *  1.3281% (0.80   0.02   0.02) =   0.744%  kept
          HG3   PRO   93 - QE    PHE   95   6.64 +/- 2.21  16.580% *  0.6225% (0.38   0.02   0.02) =   0.709%  kept
          QD    LYS+  99 - QE    PHE   95  13.81 +/- 1.72   3.024% *  1.6586% (1.00   0.02   0.02) =   0.345%  kept
          HB2   LEU  123 - QE    PHE   95  12.50 +/- 2.42   4.445% *  0.6819% (0.41   0.02   0.02) =   0.208%  kept
          HB3   LYS+  99 - QE    PHE   95  14.49 +/- 2.13   3.578% *  0.6819% (0.41   0.02   0.02) =   0.168%  kept
          QD    LYS+ 102 - QE    PHE   95  15.82 +/- 1.67   1.560% *  0.3693% (0.22   0.02   0.02) =   0.040%
    Distance limit 4.94 A violated in 0 structures by 0.14 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 = 0.626, support = 2.54, residual support = 38.2:
          QG2   VAL  107 - QE    PHE   95   3.76 +/- 0.85  47.768% * 54.3884% (0.69  1.00   2.77  46.01) =  79.731%  kept
          HB3   LYS+ 112 - QE    PHE   95   7.58 +/- 2.70  20.691% * 18.1763% (0.38  1.00   1.69   3.68) =  11.542%  kept
          QG2   THR   94 - QE    PHE   95   5.93 +/- 0.91  14.413% * 17.5358% (0.34  1.00   1.80  14.54) =   7.756%  kept
          HG13  ILE  103 - QE    PHE   95  11.93 +/- 1.69   3.106% *  8.7607% (1.00  1.00   0.31   0.02) =   0.835%  kept
          HG2   LYS+ 121 - QE    PHE   95  11.63 +/- 3.26  12.736% *  0.2564% (0.45  1.00   0.02   0.02) =   0.100%  kept
        T QB    ALA   20 - QE    PHE   95  12.97 +/- 2.01   1.285% *  0.8825% (0.15 10.00   0.02   0.02) =   0.035%
    Distance limit 5.00 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 = 0.893, support = 2.57, residual support = 5.21:
          QD2   LEU  115 - QE    PHE   95   4.38 +/- 1.03  32.781% * 54.0104% (0.87  1.00   3.28   6.72) =  68.376%  kept
          QD1   LEU   63 - QE    PHE   95   6.22 +/- 3.15  25.121% * 22.4059% (1.00  1.00   1.18   2.45) =  21.737%  kept
          QD1   LEU   73 - QE    PHE   95   9.99 +/- 2.60  11.005% * 15.2124% (1.00  1.00   0.80   0.02) =   6.465%  kept
          QD2   LEU   63 - QE    PHE   95   6.42 +/- 2.73  16.549% *  4.8981% (0.53  1.00   0.49   2.45) =   3.130%  kept
        T QD2   LEU   80 - QE    PHE   95  12.56 +/- 1.47   1.641% *  3.1680% (0.84 10.00   0.02   0.02) =   0.201%  kept
          QD1   LEU  104 - QE    PHE   95  10.80 +/- 2.37   8.775% *  0.2300% (0.61  1.00   0.02   0.02) =   0.078%
          QG1   VAL   83 - QE    PHE   95  11.27 +/- 1.69   4.127% *  0.0751% (0.20  1.00   0.02   0.02) =   0.012%
    Distance limit 4.53 A violated in 0 structures by 0.07 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.346, support = 1.48, residual support = 6.59:
        T QD1   LEU  115 - QE    PHE   95   3.50 +/- 1.61  65.337% * 92.6484% (0.34 10.00   1.50   6.72) =  97.843%  kept
          QB    ALA   64 - QE    PHE   95   7.72 +/- 1.72  18.166% *  7.2799% (0.57  1.00   0.71   0.55) =   2.138%  kept
          QG1   VAL   75 - QE    PHE   95   7.39 +/- 1.77  16.497% *  0.0717% (0.20  1.00   0.02   0.02) =   0.019%
    Distance limit 4.60 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 = 1.13, residual support = 72.3:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  86.411% * 95.4156% (0.84  10.0   1.12  72.74) =  99.360%  kept
          HN    LEU   63 - QD    PHE   60   4.44 +/- 0.47  12.441% *  4.2526% (0.15   1.0   2.70  10.06) =   0.638%  kept
          HD21  ASN   28 - QD    PHE   60  14.97 +/- 3.32   0.748% *  0.1484% (0.73   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QD    PHE   60  14.51 +/- 2.47   0.401% *  0.1833% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.96 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 = 3.79, residual support = 72.7:
      O T HB3   PHE   60 - QD    PHE   60   2.51 +/- 0.19  83.617% * 99.7227% (0.73  10.0 10.00   3.79  72.74) =  99.995%  kept
          HB3   TRP   27 - QD    PHE   60  11.54 +/- 3.06  10.171% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - QD    PHE   60   8.57 +/- 1.47   3.656% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - QD    PHE   60  13.69 +/- 1.80   0.619% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - QD    PHE   60  12.05 +/- 2.62   1.275% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  18.90 +/- 2.45   0.227% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  16.20 +/- 2.51   0.436% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.86, support = 1.92, residual support = 2.75:
          QD2   LEU   73 - QD    PHE   60   7.10 +/- 1.96  29.499% * 51.3410% (0.84  1.00   2.70   2.12) =  48.298%  kept
          QD1   ILE   56 - QD    PHE   60   5.45 +/- 1.53  47.265% * 29.7302% (0.99  1.00   1.32   3.84) =  44.811%  kept
        T QG1   VAL   41 - QD    PHE   60  10.59 +/- 2.20  12.057% * 17.3680% (0.18 10.00   0.43   0.02) =   6.678%  kept
          HG3   LYS+ 121 - QD    PHE   60  14.25 +/- 1.93   3.401% *  1.2475% (0.69  1.00   0.08   0.02) =   0.135%  kept
          HG    LEU   31 - QD    PHE   60  13.23 +/- 2.82   7.778% *  0.3133% (0.69  1.00   0.02   0.02) =   0.078%
    Distance limit 4.15 A violated in 7 structures by 0.95 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.86, residual support = 2.8:
          QB    ALA   64 - QD    PHE   60   4.13 +/- 1.15 100.000% *100.0000% (0.95   1.86   2.80) = 100.000%  kept
    Distance limit 4.08 A violated in 4 structures by 0.47 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.07, residual support = 62.3:
          HN    PHE   97 - QD    PHE   97   2.69 +/- 0.80  95.773% * 99.3236% (0.97   4.07  62.27) =  99.984%  kept
          HN    LEU  115 - QD    PHE   97  11.06 +/- 1.46   2.851% *  0.4878% (0.97   0.02   0.02) =   0.015%
          HN    ASP- 113 - QD    PHE   97  13.97 +/- 1.93   1.178% *  0.1000% (0.20   0.02   0.02) =   0.001%
          HN    ALA   12 - QD    PHE   97  25.27 +/- 4.42   0.199% *  0.0885% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 0.668, support = 0.838, residual support = 1.18:
          HA    THR  118 - QD    PHE   97   8.79 +/- 4.14  27.929% * 47.5705% (0.61   0.93   1.65) =  57.796%  kept
          HA    ILE  119 - QD    PHE   97   9.63 +/- 3.74  19.129% * 48.5556% (0.76   0.75   0.55) =  40.405%  kept
          HB2   TRP   49 - QD    PHE   97  18.23 +/- 4.48  10.181% *  1.1638% (0.69   0.02   0.02) =   0.515%  kept
          HA    VAL   75 - QD    PHE   97  11.70 +/- 1.34  11.353% *  0.8914% (0.53   0.02   0.02) =   0.440%  kept
          HA    ALA   84 - QD    PHE   97  12.30 +/- 1.90  11.688% *  0.8247% (0.49   0.02   0.02) =   0.419%  kept
          HD3   PRO   58 - QD    PHE   97  13.10 +/- 3.30  11.004% *  0.4711% (0.28   0.02   0.02) =   0.225%  kept
          HA2   GLY  109 - QD    PHE   97  12.37 +/- 0.72   8.716% *  0.5229% (0.31   0.02   0.02) =   0.198%  kept
    Distance limit 4.44 A violated in 13 structures by 2.09 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   2.44 +/- 0.14  77.256% * 89.7631% (0.90  10.0 10.00   2.44  62.27) =  97.894%  kept
          QE    LYS+ 106 - QD    PHE   97   5.65 +/- 1.23  14.815% * 10.0502% (0.95   1.0  1.00   2.12  11.86) =   2.102%  kept
          HB3   PHE   60 - QD    PHE   97  11.04 +/- 2.98   1.696% *  0.0801% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  99 - QD    PHE   97   7.20 +/- 1.50   5.708% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QD    PHE   97  13.84 +/- 2.00   0.526% *  0.0868% (0.87   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 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.3:
      O T HB3   PHE   97 - QD    PHE   97   2.49 +/- 0.17  91.832% * 99.7112% (1.00  10.0 10.00   2.74  62.27) =  99.994%  kept
          HB2   PRO   58 - QD    PHE   97  12.66 +/- 4.26   4.248% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU- 100 - QD    PHE   97  10.98 +/- 1.14   1.248% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QD    PHE   97  13.01 +/- 1.92   0.831% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   97  14.06 +/- 2.72   1.840% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.791, support = 1.72, residual support = 4.92:
          QG1   VAL  107 - QD    PHE   97   5.77 +/- 0.98  59.985% * 67.1111% (0.84   1.74   5.44) =  89.243%  kept
          HG13  ILE  119 - QD    PHE   97  10.38 +/- 2.80  15.222% * 30.6410% (0.41   1.61   0.55) =  10.340%  kept
          QG1   VAL   24 - QD    PHE   97  14.55 +/- 2.75   9.026% *  0.9256% (1.00   0.02   0.02) =   0.185%  kept
          HD3   LYS+ 112 - QD    PHE   97  13.95 +/- 2.14   7.976% *  0.9073% (0.98   0.02   0.02) =   0.160%  kept
          HB3   LEU   31 - QD    PHE   97  13.05 +/- 2.93   7.791% *  0.4150% (0.45   0.02   0.02) =   0.072%
    Distance limit 4.18 A violated in 10 structures by 1.52 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 3.0, residual support = 14.2:
          HB2   LEU  104 - QD    PHE   97   4.39 +/- 1.13  59.999% * 60.4197% (0.69   3.30  16.23) =  87.224%  kept
          QD1   ILE  119 - QD    PHE   97   9.30 +/- 2.01   9.698% * 29.5316% (0.95   1.17   0.55) =   6.891%  kept
          QG2   VAL  108 - QD    PHE   97   6.89 +/- 0.79  24.974% *  9.7252% (0.53   0.69   0.02) =   5.844%  kept
          HB    VAL   75 - QD    PHE   97  10.61 +/- 1.07   5.329% *  0.3235% (0.61   0.02   0.02) =   0.041%
    Distance limit 4.34 A violated in 1 structures by 0.31 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.2, support = 1.26, residual support = 1.62:
          QG2   THR  118 - QD    PHE   97   5.84 +/- 3.50  60.325% * 97.3739% (0.20   1.28   1.65) =  98.257%  kept
          QG2   VAL   70 - QD    PHE   97   7.70 +/- 3.20  39.675% *  2.6261% (0.34   0.02   0.02) =   1.743%  kept
    Distance limit 4.49 A violated in 3 structures by 0.90 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.931, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   9.14 +/- 2.21  65.761% * 85.0969% (1.00   0.02   0.02) =  91.644%  kept
          QB    ALA   47 - QD    PHE   97  12.25 +/- 3.33  34.239% * 14.9031% (0.18   0.02   0.02) =   8.356%  kept
    Distance limit 4.84 A violated in 18 structures by 3.30 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.84, residual support = 29.5:
          HN    LEU  115 - QD    PHE   59   6.30 +/- 0.67  58.725% * 99.0356% (0.97   2.85  29.62) =  99.722%  kept
          HN    PHE   97 - QD    PHE   59  10.77 +/- 2.49  18.695% *  0.6956% (0.97   0.02   0.02) =   0.223%  kept
          HN    ASP- 113 - QD    PHE   59   8.87 +/- 0.95  21.622% *  0.1426% (0.20   0.02   0.02) =   0.053%
          HN    ALA   12 - QD    PHE   59  26.38 +/- 2.99   0.959% *  0.1262% (0.18   0.02   0.02) =   0.002%
    Distance limit 5.04 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 = 2.83, residual support = 54.5:
          HA    PHE   59 - QD    PHE   59   2.63 +/- 0.52  68.530% * 67.8620% (0.61   3.04  57.80) =  91.027%  kept
          HA    ILE   56 - QD    PHE   59   4.96 +/- 1.24  25.820% * 16.7663% (0.61   0.75  22.18) =   8.473%  kept
          HA    LEU  123 - QD    PHE   59   9.68 +/- 0.83   1.709% * 13.4553% (0.49   0.75   0.02) =   0.450%  kept
          HA    ASP- 113 - QD    PHE   59   8.61 +/- 1.04   2.787% *  0.7355% (1.00   0.02   0.02) =   0.040%
          HA    LYS+  99 - QD    PHE   59  15.97 +/- 2.70   0.517% *  0.5903% (0.80   0.02   0.02) =   0.006%
          HA    ASN   35 - QD    PHE   59  20.73 +/- 2.69   0.218% *  0.4769% (0.65   0.02   0.02) =   0.002%
          HA    TRP   87 - QD    PHE   59  16.11 +/- 2.70   0.419% *  0.1137% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.52 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 = 0.99, support = 2.36, residual support = 21.6:
        T HA    ILE  119 - QD    PHE   59   3.88 +/- 0.27  75.162% * 51.2610% (1.00 10.00   2.34  23.33) =  84.660%  kept
        T HA    THR  118 - QD    PHE   59   6.85 +/- 0.41  14.359% * 48.5987% (0.95 10.00   2.47  12.22) =  15.333%  kept
          HA2   GLY  109 - QD    PHE   59  11.40 +/- 1.97   3.952% *  0.0353% (0.69  1.00   0.02   0.02) =   0.003%
          HB2   TRP   49 - QD    PHE   59  14.67 +/- 1.66   1.615% *  0.0504% (0.98  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD    PHE   59  14.88 +/- 1.71   1.549% *  0.0446% (0.87  1.00   0.02   0.02) =   0.002%
          HA    VAL   75 - QD    PHE   59  12.06 +/- 1.87   3.363% *  0.0102% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.82 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 = 0.965, support = 2.73, residual support = 57.7:
      O   HB2   PHE   59 - QD    PHE   59   2.52 +/- 0.18  85.412% * 97.9981% (0.97  10.0   2.74  57.80) =  99.880%  kept
          QB    PHE   55 - QD    PHE   59   7.13 +/- 1.09   5.385% *  1.7828% (0.76   1.0   0.46   0.02) =   0.115%  kept
          HB3   CYS   53 - QD    PHE   59   8.33 +/- 1.96   4.684% *  0.0455% (0.45   1.0   0.02   0.02) =   0.003%
          HD3   PRO   93 - QD    PHE   59  10.06 +/- 2.35   2.344% *  0.0657% (0.65   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - QD    PHE   59  12.98 +/- 2.22   0.880% *  0.0698% (0.69   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QD    PHE   59  11.17 +/- 1.50   1.296% *  0.0381% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.35 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 = 57.8:
      O   HB3   PHE   59 - QD    PHE   59   2.43 +/- 0.15  99.397% * 99.9680% (0.97  10.0   3.17  57.80) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  15.10 +/- 1.99   0.603% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.93, support = 2.8, residual support = 33.1:
          HB2   PRO   58 - QD    PHE   59   4.44 +/- 1.31  61.832% * 67.9866% (0.99   2.95  40.09) =  82.424%  kept
          HB2   GLN  116 - QD    PHE   59   6.86 +/- 1.35  28.540% * 31.2940% (0.65   2.08   0.27) =  17.512%  kept
          HB3   PHE   97 - QD    PHE   59  10.76 +/- 3.04   8.171% *  0.3718% (0.80   0.02   0.02) =   0.060%
          HB2   GLU- 100 - QD    PHE   59  19.84 +/- 2.75   0.683% *  0.2443% (0.53   0.02   0.02) =   0.003%
          HG3   GLU-  25 - QD    PHE   59  22.40 +/- 4.06   0.775% *  0.1034% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.88, residual support = 22.2:
        T QG1   ILE   56 - QD    PHE   59   3.18 +/- 0.67  87.686% * 99.7197% (0.97 10.00   2.88  22.18) =  99.994%  kept
          HB    ILE   89 - QD    PHE   59  13.52 +/- 2.07   1.789% *  0.0827% (0.80  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD    PHE   59  11.11 +/- 2.02   3.520% *  0.0352% (0.34  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD    PHE   59  15.75 +/- 2.81   1.070% *  0.1031% (1.00  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD    PHE   59  12.90 +/- 3.41   4.632% *  0.0204% (0.20  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD    PHE   59  14.70 +/- 2.52   1.303% *  0.0388% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 4.70 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 = 0.54, support = 2.39, residual support = 28.2:
          HB3   LEU  115 - QD    PHE   59   4.13 +/- 1.09  34.710% * 61.0990% (0.65   2.33  29.62) =  74.950%  kept
          HG    LEU  115 - QD    PHE   59   4.25 +/- 1.12  30.566% * 18.6894% (0.15   2.99  29.62) =  20.189%  kept
          QB    ALA   61 - QD    PHE   59   5.93 +/- 0.75  12.008% *  6.4909% (0.69   0.23   0.51) =   2.755%  kept
          QB    ALA  120 - QD    PHE   59   7.30 +/- 0.61   5.666% *  8.6671% (0.15   1.39   0.02) =   1.736%  kept
          HG    LEU   73 - QD    PHE   59  13.10 +/- 3.55   4.342% *  0.8072% (1.00   0.02   0.02) =   0.124%  kept
          QG    LYS+  66 - QD    PHE   59   9.11 +/- 1.94   3.678% *  0.7808% (0.97   0.02   0.02) =   0.101%  kept
          QB    ALA  110 - QD    PHE   59   8.86 +/- 1.40   3.368% *  0.3627% (0.45   0.02   0.02) =   0.043%
          HB3   LEU   67 - QD    PHE   59  11.62 +/- 2.12   1.629% *  0.6757% (0.84   0.02   0.02) =   0.039%
          HG    LEU   40 - QD    PHE   59  13.17 +/- 2.40   1.114% *  0.5234% (0.65   0.02   0.02) =   0.021%
          HG    LEU   67 - QD    PHE   59  12.31 +/- 1.96   1.273% *  0.4256% (0.53   0.02   0.02) =   0.019%
          HG12  ILE   19 - QD    PHE   59  15.80 +/- 2.43   0.884% *  0.3036% (0.38   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - QD    PHE   59  19.46 +/- 3.08   0.299% *  0.7808% (0.97   0.02   0.02) =   0.008%
          HG    LEU   80 - QD    PHE   59  17.37 +/- 2.81   0.462% *  0.3938% (0.49   0.02   0.02) =   0.006%
    Distance limit 5.10 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 = 0.455, support = 3.28, residual support = 21.1:
        T HG13  ILE  119 - QD    PHE   59   2.79 +/- 0.75  59.701% * 73.5672% (0.41 10.00   3.61  23.33) =  90.037%  kept
        T QG1   VAL  107 - QD    PHE   59   5.44 +/- 2.04  18.311% * 23.4026% (0.84 10.00   0.31   0.34) =   8.785%  kept
          HD3   LYS+ 112 - QD    PHE   59   6.83 +/- 2.02  20.666% *  2.7710% (0.98  1.00   0.32   1.93) =   1.174%  kept
          QG1   VAL   24 - QD    PHE   59  15.62 +/- 3.13   0.875% *  0.1789% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - QD    PHE   59  17.38 +/- 3.23   0.447% *  0.0802% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 3.99 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 = 0.949, support = 0.0959, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   7.15 +/- 1.29  57.024% * 88.2270% (0.98   0.10   0.02) =  95.010%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.46 +/- 0.63  27.913% *  6.7629% (0.38   0.02   0.02) =   3.565%  kept
          HB3   LEU  104 - QD    PHE   59  13.65 +/- 3.66  15.063% *  5.0101% (0.28   0.02   0.02) =   1.425%  kept
    Distance limit 4.84 A violated in 14 structures by 1.94 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.978, support = 4.51, residual support = 28.6:
          QD2   LEU  115 - QD    PHE   59   2.62 +/- 0.61  59.362% * 88.6821% (0.98   4.66  29.62) =  96.485%  kept
          QD1   LEU   63 - QD    PHE   59   5.69 +/- 2.04  20.872% *  8.6773% (0.92   0.48   0.02) =   3.319%  kept
          QD1   LEU   73 - QD    PHE   59  11.21 +/- 3.22   4.875% *  1.6895% (0.92   0.09   0.02) =   0.151%  kept
          QD2   LEU   63 - QD    PHE   59   6.17 +/- 2.01  11.057% *  0.1325% (0.34   0.02   0.02) =   0.027%
          QD1   LEU  104 - QD    PHE   59  11.61 +/- 3.11   1.737% *  0.3111% (0.80   0.02   0.02) =   0.010%
          QD2   LEU   80 - QD    PHE   59  14.89 +/- 1.81   0.631% *  0.3749% (0.97   0.02   0.02) =   0.004%
          QG1   VAL   83 - QD    PHE   59  13.84 +/- 2.39   1.465% *  0.1325% (0.34   0.02   0.02) =   0.004%
    Distance limit 4.33 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 = 4.44, residual support = 29.6:
        T QD1   LEU  115 - QD    PHE   59   3.09 +/- 0.59  87.496% * 99.5118% (0.84 10.00   4.44  29.62) =  99.964%  kept
          QB    ALA   64 - QD    PHE   59   8.06 +/- 0.59   6.585% *  0.4112% (0.15  1.00   0.45   0.02) =   0.031%
          QG1   VAL   75 - QD    PHE   59   9.18 +/- 1.76   5.919% *  0.0771% (0.65  1.00   0.02   0.02) =   0.005%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.729, support = 1.49, residual support = 29.3:
        T HA    LEU  115 - QE    PHE   59   3.43 +/- 0.50  76.263% * 91.4469% (0.73 10.00   1.50  29.62) =  99.029%  kept
          HA    GLU- 114 - QE    PHE   59   7.35 +/- 0.39   8.732% *  7.6313% (1.00  1.00   0.91   0.02) =   0.946%  kept
        T HA    ARG+  54 - QE    PHE   59  10.35 +/- 1.48   3.450% *  0.3323% (0.20 10.00   0.02   0.02) =   0.016%
          HA    CYS   53 - QE    PHE   59   8.42 +/- 1.99   8.925% *  0.0294% (0.18  1.00   0.02   0.02) =   0.004%
          HA    ALA   34 - QE    PHE   59  18.91 +/- 3.04   0.712% *  0.1457% (0.87  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QE    PHE   59  19.19 +/- 2.79   0.570% *  0.1646% (0.98  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QE    PHE   59  18.69 +/- 3.51   0.741% *  0.1153% (0.69  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - QE    PHE   59  20.47 +/- 3.74   0.608% *  0.1345% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 4.63 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 = 1.8, residual support = 12.2:
        T HB    THR  118 - QE    PHE   59   3.29 +/- 0.83  93.900% * 99.7361% (0.95 10.00   1.80  12.22) =  99.996%  kept
          HA    ILE   89 - QE    PHE   59  13.10 +/- 3.06   3.258% *  0.0712% (0.61  1.00   0.02   0.02) =   0.002%
          HB    THR   39 - QE    PHE   59  18.62 +/- 2.19   0.879% *  0.0526% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  21.08 +/- 2.92   0.546% *  0.0712% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  21.27 +/- 2.70   0.672% *  0.0483% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  20.09 +/- 3.01   0.745% *  0.0206% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.936, support = 1.15, residual support = 1.65:
          QE    LYS+ 112 - QE    PHE   59   6.15 +/- 2.29  31.332% * 75.1240% (1.00   1.39   1.93) =  74.844%  kept
          HB    VAL  107 - QE    PHE   59   5.47 +/- 2.88  37.419% * 19.1726% (0.80   0.44   0.34) =  22.812%  kept
          HB3   ASP-  62 - QE    PHE   59   6.40 +/- 1.20  19.257% *  3.2138% (0.14   0.44   6.47) =   1.968%  kept
          HB3   PHE   45 - QE    PHE   59   9.95 +/- 2.96  10.216% *  1.0791% (1.00   0.02   0.02) =   0.351%  kept
          HB3   ASP-  86 - QE    PHE   59  17.40 +/- 3.54   0.797% *  0.4849% (0.45   0.02   0.02) =   0.012%
          HG2   GLU-  29 - QE    PHE   59  22.39 +/- 3.69   0.420% *  0.6560% (0.61   0.02   0.02) =   0.009%
          QG    GLN   32 - QE    PHE   59  20.54 +/- 3.42   0.559% *  0.2697% (0.25   0.02   0.02) =   0.005%
    Distance limit 5.29 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 = 4.14, residual support = 23.2:
          HG12  ILE  119 - QE    PHE   59   2.38 +/- 0.58  89.981% * 88.0551% (0.73   4.16  23.33) =  99.346%  kept
          HB2   ASP-  44 - QE    PHE   59   8.91 +/- 2.41   5.611% *  9.0090% (0.99   0.31   0.02) =   0.634%  kept
          HB3   PHE   72 - QE    PHE   59  12.78 +/- 1.97   0.851% *  0.5814% (1.00   0.02   0.02) =   0.006%
          QG    GLN   90 - QE    PHE   59  13.67 +/- 2.40   0.758% *  0.5712% (0.98   0.02   0.02) =   0.005%
          HG3   MET   92 - QE    PHE   59  12.38 +/- 2.52   1.835% *  0.1453% (0.25   0.02   0.02) =   0.003%
          QG    GLU-  15 - QE    PHE   59  19.28 +/- 1.77   0.314% *  0.5512% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - QE    PHE   59  19.29 +/- 2.77   0.273% *  0.5814% (1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QE    PHE   59  20.96 +/- 3.83   0.240% *  0.1988% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - QE    PHE   59  25.64 +/- 3.07   0.136% *  0.3066% (0.53   0.02   0.02) =   0.001%
    Distance limit 4.40 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 = 0.729, support = 3.5, residual support = 18.0:
          HG13  ILE  119 - QE    PHE   59   3.12 +/- 0.71  45.530% * 62.2296% (0.73   4.21  23.33) =  76.123%  kept
          HD3   LYS+ 112 - QE    PHE   59   7.02 +/- 2.28  18.603% * 24.1674% (0.95   1.26   1.93) =  12.079%  kept
          QG1   VAL  107 - QE    PHE   59   4.32 +/- 2.22  34.174% * 12.8380% (0.53   1.20   0.34) =  11.787%  kept
          QG1   VAL   24 - QE    PHE   59  16.37 +/- 3.22   0.471% *  0.3528% (0.87   0.02   0.02) =   0.004%
          HB3   LEU   31 - QE    PHE   59  17.90 +/- 3.66   0.436% *  0.3108% (0.76   0.02   0.02) =   0.004%
          QB    ALA   20 - QE    PHE   59  14.27 +/- 2.57   0.787% *  0.1014% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.34 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 = 0.853, support = 2.81, residual support = 28.3:
        T QD2   LEU  115 - QE    PHE   59   2.57 +/- 0.76  61.902% * 84.1077% (0.87 10.00   2.92  29.62) =  95.662%  kept
        T QD1   LEU   63 - QE    PHE   59   6.90 +/- 2.54  17.150% * 12.3435% (0.53 10.00   0.48   0.02) =   3.890%  kept
        T QD1   LEU   73 - QE    PHE   59  11.89 +/- 3.56   6.519% *  2.4033% (0.53 10.00   0.09   0.02) =   0.288%  kept
        T QD1   LEU  104 - QE    PHE   59  11.21 +/- 3.54   8.733% *  0.9675% (1.00 10.00   0.02   0.02) =   0.155%  kept
          QG1   VAL   83 - QE    PHE   59  13.96 +/- 2.75   2.159% *  0.0741% (0.76  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - QE    PHE   59  15.28 +/- 2.14   0.870% *  0.0870% (0.90  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - QE    PHE   59  10.14 +/- 1.99   2.666% *  0.0170% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.18 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 = 29.2:
          QD1   LEU  115 - QE    PHE   59   3.32 +/- 0.61  86.315% * 86.5446% (0.45   2.96  29.62) =  98.739%  kept
          QB    ALA   64 - QE    PHE   59   9.11 +/- 1.11   7.103% * 13.0924% (0.45   0.45   0.02) =   1.229%  kept
          QG1   VAL   75 - QE    PHE   59   9.89 +/- 2.22   6.582% *  0.3630% (0.28   0.02   0.02) =   0.032%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.19, residual support = 12.2:
          QG2   THR  118 - QE    PHE   59   2.60 +/- 0.76 100.000% *100.0000% (0.80   4.19  12.22) = 100.000%  kept
    Distance limit 4.68 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 = 1.12, residual support = 72.7:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  91.834% * 99.6749% (0.99  10.0   1.12  72.74) =  99.993%  kept
          HN    LYS+  66 - QE    PHE   60   8.13 +/- 0.99   2.220% *  0.1375% (0.76   1.0   0.02   0.02) =   0.003%
          QE    PHE   59 - QE    PHE   60   9.30 +/- 1.96   5.485% *  0.0500% (0.28   1.0   0.02  20.19) =   0.003%
          HN    LYS+  81 - QE    PHE   60  15.70 +/- 4.12   0.461% *  0.1375% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.44 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 = 0.842, support = 2.07, residual support = 6.22:
          HB3   PHE   72 - QE    PHE   60   6.95 +/- 2.02  26.647% * 67.3195% (0.87   2.65   8.05) =  70.265%  kept
          HB2   ASP-  44 - QE    PHE   60   5.14 +/- 2.54  39.434% * 16.7841% (0.76   0.75   2.16) =  25.925%  kept
          HG12  ILE  119 - QE    PHE   60  11.10 +/- 1.53   6.471% * 13.5133% (0.98   0.47   0.02) =   3.425%  kept
          QG    GLU-  14 - QE    PHE   60  14.16 +/- 3.12   6.615% *  0.4690% (0.80   0.02   0.02) =   0.122%  kept
          HG3   MET   92 - QE    PHE   60  13.39 +/- 3.42   5.379% *  0.3316% (0.57   0.02   0.02) =   0.070%
          HB2   GLU-  29 - QE    PHE   60  15.73 +/- 3.13   3.704% *  0.4023% (0.69   0.02   0.02) =   0.058%
          QG    GLU-  15 - QE    PHE   60  14.38 +/- 3.17   3.650% *  0.3789% (0.65   0.02   0.02) =   0.054%
          QG    GLN   90 - QE    PHE   60  14.53 +/- 2.67   2.469% *  0.5406% (0.92   0.02   0.02) =   0.052%
          HB2   ASP- 105 - QE    PHE   60  13.71 +/- 2.55   4.527% *  0.1304% (0.22   0.02   0.02) =   0.023%
          QB    MET   11 - QE    PHE   60  19.99 +/- 2.77   1.103% *  0.1304% (0.22   0.02   0.02) =   0.006%
    Distance limit 5.04 A violated in 3 structures by 0.52 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.965, support = 1.37, residual support = 3.52:
          HB    VAL   42 - QE    PHE   60   7.77 +/- 2.47  17.550% * 51.6931% (1.00  1.00   1.66   4.68) =  62.811%  kept
          HB3   LEU   73 - QE    PHE   60   8.37 +/- 2.34  11.445% * 34.5613% (0.98  1.00   1.13   2.12) =  27.386%  kept
          HG3   LYS+  65 - QE    PHE   60   8.84 +/- 2.06  12.739% *  6.5436% (1.00  1.00   0.21   0.02) =   5.771%  kept
          HB3   LYS+  74 - QE    PHE   60   8.05 +/- 3.49  19.671% *  2.1212% (0.25  1.00   0.27   0.02) =   2.889%  kept
        T QB    ALA   84 - QE    PHE   60  12.26 +/- 2.79   2.769% *  1.5561% (0.25 10.00   0.02   0.02) =   0.298%  kept
          HB2   LYS+ 112 - QE    PHE   60  12.75 +/- 3.02   5.581% *  0.5761% (0.92  1.00   0.02   0.02) =   0.223%  kept
          HG3   LYS+  33 - QE    PHE   60  14.63 +/- 3.01   4.641% *  0.6227% (1.00  1.00   0.02   0.02) =   0.200%  kept
          HB3   PRO   93 - QE    PHE   60   9.41 +/- 3.21  12.284% *  0.1735% (0.28  1.00   0.02   0.02) =   0.148%  kept
          HG3   LYS+ 106 - QE    PHE   60  14.12 +/- 2.56   1.797% *  0.5213% (0.84  1.00   0.02   0.02) =   0.065%
          QB    LEU   98 - QE    PHE   60  12.56 +/- 2.76   2.929% *  0.3038% (0.49  1.00   0.02   0.02) =   0.062%
          QB    ALA   12 - QE    PHE   60  17.46 +/- 3.08   1.777% *  0.4769% (0.76  1.00   0.02   0.02) =   0.059%
          HG3   LYS+ 102 - QE    PHE   60  19.82 +/- 2.47   0.895% *  0.6023% (0.97  1.00   0.02   0.02) =   0.037%
          HD3   LYS+ 121 - QE    PHE   60  15.14 +/- 2.77   3.526% *  0.1389% (0.22  1.00   0.02   0.02) =   0.034%
          HG    LEU   98 - QE    PHE   60  13.70 +/- 3.52   2.396% *  0.1093% (0.18  1.00   0.02   0.02) =   0.018%
    Distance limit 5.06 A violated in 3 structures by 0.47 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.215, support = 1.29, residual support = 3.75:
        T QD1   ILE   56 - QE    PHE   60   7.11 +/- 1.55  69.944% * 90.8213% (0.20 10.00   1.32   3.84) =  97.580%  kept
          QD2   LEU  123 - QE    PHE   60  12.34 +/- 1.82  18.836% *  7.1610% (0.92  1.00   0.22   0.02) =   2.072%  kept
          HG3   LYS+ 121 - QE    PHE   60  15.74 +/- 2.28  11.221% *  2.0177% (0.73  1.00   0.08   0.02) =   0.348%  kept
    Distance limit 5.29 A violated in 11 structures by 1.80 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.707, support = 1.41, residual support = 3.29:
          QB    ALA   64 - QE    PHE   60   4.00 +/- 1.35  58.273% * 59.2614% (0.84   1.20   2.80) =  73.932%  kept
          QG1   VAL   42 - QE    PHE   60   6.10 +/- 2.14  30.129% * 40.2101% (0.34   2.00   4.68) =  25.937%  kept
          QB    ALA   47 - QE    PHE   60   9.24 +/- 2.68  11.598% *  0.5285% (0.45   0.02   0.02) =   0.131%  kept
    Distance limit 4.85 A violated in 0 structures by 0.15 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.812, support = 2.3, residual support = 4.78:
          HB2   ASP-  44 - QD    PHE   60   5.05 +/- 2.07  44.036% * 38.3568% (0.87   1.80   2.16) =  53.276%  kept
          HB3   PHE   72 - QD    PHE   60   7.51 +/- 1.82  25.602% * 55.8623% (0.76   2.97   8.05) =  45.110%  kept
          HG12  ILE  119 - QD    PHE   60   9.18 +/- 1.31  11.522% *  3.9522% (0.34   0.47   0.02) =   1.436%  kept
          QG    GLU-  14 - QD    PHE   60  14.93 +/- 2.71   5.428% *  0.4111% (0.84   0.02   0.02) =   0.070%
          QG    GLU-  15 - QD    PHE   60  15.03 +/- 2.43   3.406% *  0.4656% (0.95   0.02   0.02) =   0.050%
          QG    GLN   90 - QD    PHE   60  14.42 +/- 2.02   2.353% *  0.3381% (0.69   0.02   0.02) =   0.025%
          QB    MET   11 - QD    PHE   60  20.86 +/- 2.55   1.062% *  0.4414% (0.90   0.02   0.02) =   0.015%
          HG2   MET   92 - QD    PHE   60  12.69 +/- 2.95   5.203% *  0.0862% (0.18   0.02   0.02) =   0.014%
          HG3   GLU-  36 - QD    PHE   60  20.03 +/- 2.89   1.387% *  0.0862% (0.18   0.02   0.02) =   0.004%
    Distance limit 5.11 A violated in 2 structures by 0.39 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.29, residual support = 90.0:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  98.090% * 99.8968% (0.87  10.0   3.29  90.02) =  99.999%  kept
          HD22  ASN   28 - QD    PHE   72  10.82 +/- 1.78   1.295% *  0.0745% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - QD    PHE   72  12.69 +/- 1.42   0.614% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.711, support = 3.27, residual support = 7.23:
          QD    PHE   60 - QD    PHE   72   5.47 +/- 1.16  41.927% * 83.5362% (0.76   3.53   8.05) =  89.415%  kept
          HE3   TRP   27 - QD    PHE   72   6.72 +/- 1.53  26.908% *  8.9974% (0.25   1.17   0.02) =   6.181%  kept
          HN    LYS+  66 - QD    PHE   72   6.76 +/- 1.16  25.377% *  6.7306% (0.28   0.78   0.68) =   4.361%  kept
          HN    LYS+  81 - QD    PHE   72  15.12 +/- 2.13   2.008% *  0.6133% (0.99   0.02   0.02) =   0.031%
          QD    PHE   55 - QD    PHE   72  14.17 +/- 2.42   3.781% *  0.1225% (0.20   0.02   0.02) =   0.012%
    Distance limit 4.34 A violated in 0 structures by 0.49 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.455, support = 1.75, residual support = 10.5:
          QE    PHE   60 - QD    PHE   72   4.76 +/- 1.41  51.552% * 30.0292% (0.18   2.56   8.05) =  54.468%  kept
          HN    LEU   63 - QD    PHE   72   6.67 +/- 1.09  24.836% * 44.5627% (0.80   0.83  15.59) =  38.941%  kept
          HZ2   TRP   87 - QD    PHE   72  11.53 +/- 2.74   7.672% * 22.4587% (0.73   0.46   0.02) =   6.063%  kept
          HD21  ASN   28 - QD    PHE   72  11.65 +/- 2.06   8.957% *  1.2018% (0.90   0.02   0.02) =   0.379%  kept
          HN    ILE   56 - QD    PHE   72  13.42 +/- 1.48   2.642% *  0.9205% (0.69   0.02   0.02) =   0.086%
          HN    ALA   84 - QD    PHE   72  14.03 +/- 1.79   2.941% *  0.4136% (0.31   0.02   0.02) =   0.043%
          HN    LYS+ 111 - QD    PHE   72  17.90 +/- 2.73   1.400% *  0.4136% (0.31   0.02   0.02) =   0.020%
    Distance limit 5.00 A violated in 1 structures by 0.12 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.62, residual support = 90.0:
          HN    PHE   72 - QD    PHE   72   2.53 +/- 0.64  98.514% * 99.8237% (0.98   5.62  90.02) =  99.997%  kept
          HN    LEU  104 - QD    PHE   72  12.02 +/- 1.48   1.486% *  0.1763% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.50 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 = 2.07, residual support = 90.0:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  50.663% * 52.6465% (0.76  10.0 10.00   1.05  90.02) =  54.254%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  47.525% * 47.3200% (0.69  10.0 10.00   3.29  90.02) =  45.745%  kept
          QE    PHE   45 - QE    PHE   72   7.99 +/- 1.85   1.811% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.02 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 = 0.655, support = 1.11, residual support = 6.38:
          QD    PHE   60 - QE    PHE   72   4.72 +/- 1.43  43.256% * 68.0376% (0.76   1.19   8.05) =  77.944%  kept
          HN    LYS+  66 - QE    PHE   72   5.38 +/- 0.79  31.521% * 18.4874% (0.28   0.89   0.68) =  15.433%  kept
          HE3   TRP   27 - QE    PHE   72   7.90 +/- 2.13  21.159% * 11.6994% (0.25   0.63   0.02) =   6.556%  kept
          HN    LYS+  81 - QE    PHE   72  15.06 +/- 1.73   1.116% *  1.4801% (0.99   0.02   0.02) =   0.044%
          QD    PHE   55 - QE    PHE   72  13.32 +/- 2.48   2.948% *  0.2955% (0.20   0.02   0.02) =   0.023%
    Distance limit 4.54 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 = 1.05, residual support = 90.0:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  98.010% * 99.8336% (1.00  10.0   1.05  90.02) =  99.999%  kept
          HD22  ASN   28 - HZ    PHE   72  14.07 +/- 3.31   1.389% *  0.0587% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - HZ    PHE   72  13.53 +/- 2.74   0.600% *  0.1077% (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 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.62, residual support = 90.0:
          HA    PHE   72 - QD    PHE   72   3.48 +/- 0.43  95.329% * 99.8356% (0.90   4.62  90.02) =  99.992%  kept
          HA    MET   96 - QD    PHE   72  10.28 +/- 1.31   4.671% *  0.1644% (0.34   0.02   0.02) =   0.008%
    Distance limit 5.00 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 = 0.528, support = 0.02, residual support = 0.02:
          HA    THR   23 - QD    PHE   72  12.43 +/- 0.87  15.762% * 28.8048% (0.65   0.02   0.02) =  28.142%  kept
          HA    PHE   45 - QD    PHE   72   8.72 +/- 1.69  43.280% *  9.9133% (0.22   0.02   0.02) =  26.594%  kept
          HA    ASP-  78 - QD    PHE   72  14.36 +/- 0.72  10.230% * 41.1037% (0.92   0.02   0.02) =  26.063%  kept
          HA    LEU   80 - QD    PHE   72  13.65 +/- 2.56  15.308% * 12.3802% (0.28   0.02   0.02) =  11.747%  kept
          HB    THR   23 - QD    PHE   72  12.90 +/- 1.52  15.421% *  7.7981% (0.18   0.02   0.02) =   7.454%  kept
    Distance limit 4.96 A violated in 20 structures by 3.03 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 3.89, residual support = 61.0:
        T HA    ALA   64 - QD    PHE   72   3.73 +/- 0.79  29.795% * 81.4054% (0.92   1.0 10.00   3.56  46.90) =  67.247%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.49 +/- 0.17  67.559% * 17.4518% (0.20  10.0 10.00   4.56  90.02) =  32.689%  kept
          QE    LYS+  66 - QD    PHE   72   9.46 +/- 1.86   2.079% *  1.0965% (0.25   1.0  1.00   1.00   0.68) =   0.063%
          HB3   ASN   35 - QD    PHE   72  13.53 +/- 1.84   0.566% *  0.0464% (0.53   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 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.83, residual support = 89.9:
      O T HB3   PHE   72 - QD    PHE   72   2.41 +/- 0.11  69.558% * 99.1197% (0.98  10.0 10.00   4.84  90.02) =  99.852%  kept
          HB2   ASP-  44 - QD    PHE   72   5.07 +/- 1.87  25.295% *  0.3864% (0.92   1.0  1.00   0.08   0.02) =   0.142%  kept
          QG    GLU-  14 - QD    PHE   72  10.95 +/- 2.30   1.757% *  0.0957% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QD    PHE   72  10.85 +/- 2.91   1.237% *  0.0845% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - QD    PHE   72  12.57 +/- 1.92   0.651% *  0.0877% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   72  12.47 +/- 1.50   0.637% *  0.0492% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  15.30 +/- 1.56   0.291% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  16.29 +/- 2.52   0.341% *  0.0380% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  17.30 +/- 2.27   0.231% *  0.0380% (0.38   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 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.77, support = 1.74, residual support = 12.9:
        T HB    VAL   42 - QD    PHE   72   4.14 +/- 1.21  38.004% * 56.1953% (0.80 10.00   0.82   4.45) =  71.449%  kept
          HB3   LEU   73 - QD    PHE   72   5.10 +/- 0.68  23.127% * 28.8277% (0.73  1.00   4.66  43.24) =  22.305%  kept
          HB3   LYS+  74 - QD    PHE   72   6.19 +/- 1.47  17.375% *  9.5073% (0.57  1.00   1.97   0.82) =   5.527%  kept
          HG3   LYS+  65 - QD    PHE   72   8.27 +/- 1.06   5.253% *  3.6231% (0.80  1.00   0.53   0.02) =   0.637%  kept
        T HB2   LYS+ 112 - QD    PHE   72  16.30 +/- 2.72   0.600% *  1.0338% (0.61 10.00   0.02   0.02) =   0.021%
          HG3   LYS+  33 - QD    PHE   72  10.33 +/- 1.83   3.893% *  0.1479% (0.87  1.00   0.02   0.02) =   0.019%
          QB    LEU   98 - QD    PHE   72   9.36 +/- 1.55   3.470% *  0.1424% (0.84  1.00   0.02   0.02) =   0.017%
          HD3   LYS+ 121 - QD    PHE   72  14.32 +/- 3.66   2.535% *  0.0897% (0.53  1.00   0.02   0.02) =   0.008%
          QB    ALA   12 - QD    PHE   72  14.79 +/- 2.45   1.229% *  0.1689% (0.99  1.00   0.02   0.02) =   0.007%
          HB2   LEU   80 - QD    PHE   72  12.21 +/- 3.07   2.739% *  0.0640% (0.38  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - QD    PHE   72  12.91 +/- 1.51   1.202% *  0.0830% (0.49  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - QD    PHE   72  16.35 +/- 1.69   0.572% *  0.1171% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 4.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.498, support = 1.54, residual support = 22.4:
        T QD1   LEU   67 - QD    PHE   72   3.88 +/- 0.94  39.250% * 74.5141% (0.41 10.00   1.50  26.42) =  83.805%  kept
          HB    VAL   75 - QD    PHE   72   4.92 +/- 1.26  25.346% * 21.2305% (0.98  1.00   1.79   1.72) =  15.419%  kept
          HG3   LYS+  74 - QD    PHE   72   7.42 +/- 1.21   7.772% *  2.7034% (0.22  1.00   1.00   0.82) =   0.602%  kept
        T QD1   ILE  119 - QD    PHE   72  10.51 +/- 1.82   2.842% *  1.2715% (0.53 10.00   0.02   0.02) =   0.104%  kept
          QD2   LEU   40 - QD    PHE   72   5.39 +/- 1.37  20.178% *  0.1083% (0.45  1.00   0.02   0.02) =   0.063%
          QG2   ILE  103 - QD    PHE   72  10.75 +/- 1.21   1.886% *  0.0746% (0.31  1.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - QD    PHE   72  11.97 +/- 2.19   1.488% *  0.0603% (0.25  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD    PHE   72  12.94 +/- 1.29   1.237% *  0.0373% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.97 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 = 42.6:
          QD2   LEU   73 - QD    PHE   72   3.64 +/- 0.88  47.283% * 95.7778% (0.95   6.58  43.24) =  98.544%  kept
          QG1   VAL   43 - QD    PHE   72   5.97 +/- 1.41  16.989% *  2.4371% (0.15   1.03   0.02) =   0.901%  kept
          QG1   VAL   41 - QD    PHE   72   6.24 +/- 1.59  20.298% *  1.0609% (0.28   0.25   0.02) =   0.469%  kept
          HG    LEU   31 - QD    PHE   72   8.67 +/- 2.12  11.419% *  0.2571% (0.84   0.02   0.02) =   0.064%
          QD1   ILE   56 - QD    PHE   72  10.46 +/- 1.35   2.799% *  0.3051% (0.99   0.02   0.02) =   0.019%
          HG3   LYS+ 121 - QD    PHE   72  14.72 +/- 3.37   1.212% *  0.1619% (0.53   0.02   0.02) =   0.004%
    Distance limit 4.99 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 = 5.84, residual support = 46.9:
        T QB    ALA   64 - QD    PHE   72   2.71 +/- 0.32  97.983% * 99.9781% (0.80 10.00   5.84  46.90) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72  10.90 +/- 1.56   2.017% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.81, residual support = 47.3:
        T QG2   VAL   70 - QD    PHE   72   2.35 +/- 0.77 100.000% *100.0000% (0.65 10.00   3.81  47.34) = 100.000%  kept
    Distance limit 4.74 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 = 0.386, support = 3.99, residual support = 45.7:
        T HA    ALA   64 - QE    PHE   72   2.69 +/- 0.53  86.547% * 84.9217% (0.38 10.00   4.06  46.90) =  97.477%  kept
          QE    LYS+  66 - QE    PHE   72   8.00 +/- 1.92  12.799% * 14.8540% (0.80  1.00   1.64   0.68) =   2.521%  kept
          HB3   ASN   35 - QE    PHE   72  14.86 +/- 2.18   0.654% *  0.2243% (0.99  1.00   0.02   0.02) =   0.002%
    Distance limit 4.13 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 = 4.38, residual support = 45.7:
        T HB    VAL   70 - QE    PHE   72   2.66 +/- 0.61  74.879% * 76.9584% (0.99 10.00   4.52  47.34) =  96.480%  kept
        T QG    GLN   17 - QE    PHE   72   8.89 +/- 3.01   9.174% * 22.8300% (0.97 10.00   0.61   0.02) =   3.507%  kept
          HB2   MET   96 - QE    PHE   72   9.21 +/- 1.76  10.401% *  0.0649% (0.84  1.00   0.02   0.02) =   0.011%
          HB3   ASP-  76 - QE    PHE   72   9.85 +/- 0.98   2.017% *  0.0240% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QE    PHE   72  15.58 +/- 1.92   0.493% *  0.0696% (0.90  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    PHE   72  14.83 +/- 2.75   1.097% *  0.0291% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   72  12.17 +/- 2.01   1.219% *  0.0120% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  14.12 +/- 1.83   0.720% *  0.0120% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.453, support = 3.04, residual support = 25.3:
        T HB2   LEU   67 - QE    PHE   72   3.41 +/- 1.34  45.897% * 80.8837% (0.45 10.00   3.12  26.42) =  95.607%  kept
          HB    ILE   19 - QE    PHE   72   7.98 +/- 2.07   7.332% * 10.4893% (0.73  1.00   1.60   1.03) =   1.981%  kept
          HB    VAL   18 - QE    PHE   72   7.30 +/- 4.40  27.491% *  2.1393% (0.22  1.00   1.07   1.15) =   1.515%  kept
          HG2   PRO   68 - QE    PHE   72   8.30 +/- 1.02   5.750% *  5.7191% (0.80  1.00   0.79   0.02) =   0.847%  kept
          HB2   GLN   17 - QE    PHE   72   9.74 +/- 2.72   2.986% *  0.2574% (0.18  1.00   0.16   0.02) =   0.020%
          HB2   LEU  115 - QE    PHE   72  12.96 +/- 2.28   3.713% *  0.1507% (0.84  1.00   0.02   0.02) =   0.014%
          QB    GLU- 114 - QE    PHE   72  14.93 +/- 2.34   2.451% *  0.1167% (0.65  1.00   0.02   0.02) =   0.007%
          HG3   PRO   58 - QE    PHE   72  12.94 +/- 1.22   1.740% *  0.1565% (0.87  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - QE    PHE   72  11.84 +/- 2.33   1.827% *  0.0316% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QE    PHE   72  15.92 +/- 1.95   0.813% *  0.0557% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 1 structures by 0.14 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.52, support = 2.33, residual support = 15.9:
          HB3   LEU   67 - QE    PHE   72   3.76 +/- 1.60  38.793% * 30.1243% (0.38   3.08  26.42) =  59.031%  kept
          HB3   LYS+  74 - QE    PHE   72   6.68 +/- 1.87  11.884% * 30.3699% (0.90   1.30   0.82) =  18.231%  kept
          HG12  ILE   19 - QE    PHE   72   8.41 +/- 2.45   9.809% * 25.3583% (0.84   1.17   1.03) =  12.564%  kept
          QG    LYS+  66 - QE    PHE   72   6.44 +/- 1.83  16.801% *  9.0779% (0.22   1.57   0.68) =   7.704%  kept
          QB    ALA   61 - QE    PHE   72   5.84 +/- 1.46  16.851% *  2.7661% (0.53   0.20   0.02) =   2.355%  kept
          HB2   LEU   80 - QE    PHE   72  12.35 +/- 2.68   1.108% *  0.5158% (0.99   0.02   0.02) =   0.029%
          QB    LEU   98 - QE    PHE   72   9.79 +/- 1.53   1.584% *  0.3366% (0.65   0.02   0.02) =   0.027%
          QB    ALA  110 - QE    PHE   72  14.40 +/- 2.77   0.978% *  0.3977% (0.76   0.02   0.02) =   0.020%
          HG    LEU   80 - QE    PHE   72  13.14 +/- 3.48   1.020% *  0.3779% (0.73   0.02   0.02) =   0.019%
          HD3   LYS+ 121 - QE    PHE   72  13.91 +/- 3.55   0.633% *  0.4804% (0.92   0.02   0.02) =   0.015%
          QB    ALA   12 - QE    PHE   72  15.46 +/- 2.53   0.538% *  0.1953% (0.38   0.02   0.02) =   0.005%
    Distance limit 4.21 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 = 0.44, support = 3.77, residual support = 25.0:
        T QD1   LEU   67 - QE    PHE   72   2.65 +/- 0.77  51.086% * 83.6497% (0.41 10.00   3.92  26.42) =  94.386%  kept
          HB    VAL   75 - QE    PHE   72   4.49 +/- 0.89  16.870% * 13.8588% (0.98  1.00   1.39   1.72) =   5.164%  kept
        T QD1   ILE  119 - QE    PHE   72   9.75 +/- 2.10  10.871% *  1.0705% (0.53 10.00   0.02   0.02) =   0.257%  kept
          HG3   LYS+  74 - QE    PHE   72   7.37 +/- 2.02   6.306% *  1.1849% (0.22  1.00   0.52   0.82) =   0.165%  kept
          QD2   LEU   40 - QE    PHE   72   6.02 +/- 1.34  12.097% *  0.0912% (0.45  1.00   0.02   0.02) =   0.024%
          QG2   ILE  103 - QE    PHE   72  10.80 +/- 1.35   1.152% *  0.0628% (0.31  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - QE    PHE   72  11.93 +/- 2.40   0.800% *  0.0507% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  12.56 +/- 1.55   0.819% *  0.0314% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.03 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 = 0.505, support = 4.16, residual support = 23.9:
          HB3   LEU   63 - QE    PHE   72   4.79 +/- 1.35  18.157% * 72.3993% (0.73   4.35  15.59) =  58.545%  kept
          QG1   VAL   70 - QE    PHE   72   3.34 +/- 0.80  36.387% * 19.1105% (0.18   4.76  47.34) =  30.970%  kept
          QG1   VAL   18 - QE    PHE   72   5.82 +/- 3.62  29.516% *  7.8941% (0.25   1.38   1.15) =  10.377%  kept
          QD1   LEU   40 - QE    PHE   72   5.10 +/- 0.96  15.434% *  0.1415% (0.31   0.02   0.02) =   0.097%
          QG1   VAL  108 - QE    PHE   72  14.09 +/- 1.46   0.506% *  0.4545% (0.99   0.02   0.02) =   0.010%
    Distance limit 4.21 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 = 0.863, support = 3.53, residual support = 21.3:
          QD2   LEU   63 - QE    PHE   72   3.70 +/- 0.91  41.609% * 25.1996% (0.69   3.37  15.59) =  39.568%  kept
          QD1   LEU   63 - QE    PHE   72   4.52 +/- 1.09  24.783% * 42.3069% (0.98   3.97  15.59) =  39.567%  kept
          QD1   LEU   73 - QE    PHE   72   6.59 +/- 1.49  17.253% * 31.8938% (0.98   2.99  43.24) =  20.765%  kept
          QG2   VAL   41 - QE    PHE   72   7.01 +/- 1.15   8.011% *  0.1950% (0.18   0.10   0.02) =   0.059%
          QD2   LEU  115 - QE    PHE   72  10.24 +/- 1.65   2.563% *  0.1579% (0.73   0.02   0.02) =   0.015%
          QD2   LEU   80 - QE    PHE   72  11.13 +/- 2.64   2.408% *  0.1494% (0.69   0.02   0.02) =   0.014%
          QD1   LEU  104 - QE    PHE   72   9.78 +/- 2.46   3.373% *  0.0975% (0.45   0.02   0.02) =   0.012%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 4.99, residual support = 46.5:
          QB    ALA   64 - QE    PHE   72   2.48 +/- 0.71  65.465% * 97.5053% (0.69   5.04  46.90) =  98.949%  kept
          QG1   VAL   42 - QE    PHE   72   4.48 +/- 1.74  33.025% *  2.0418% (0.49   0.15   4.45) =   1.045%  kept
          QB    ALA   47 - QE    PHE   72  11.57 +/- 1.61   0.798% *  0.3415% (0.61   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - QE    PHE   72  14.76 +/- 2.60   0.712% *  0.1114% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.57 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 = 5.41, residual support = 47.3:
        T QG2   VAL   70 - QE    PHE   72   2.96 +/- 0.39 100.000% *100.0000% (0.90 10.00   5.41  47.34) = 100.000%  kept
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.645, support = 3.26, residual support = 46.0:
        T HA    ALA   64 - HZ    PHE   72   3.28 +/- 0.95  74.593% * 94.4127% (0.65 10.00   3.29  46.90) =  98.140%  kept
          QE    LYS+  66 - HZ    PHE   72   8.48 +/- 2.25  24.399% *  5.4654% (0.53  1.00   1.42   0.68) =   1.858%  kept
          HB3   ASN   35 - HZ    PHE   72  17.49 +/- 2.66   1.008% *  0.1219% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 4.99 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 = 3.2, residual support = 45.8:
        T HB    VAL   70 - HZ    PHE   72   4.68 +/- 0.75  60.315% * 90.8142% (0.92 10.00   3.30  47.34) =  96.820%  kept
        T QG    GLN   17 - HZ    PHE   72  10.31 +/- 3.49  20.256% *  8.5179% (0.97 10.00   0.18   0.02) =   3.050%  kept
        T HB2   MET   96 - HZ    PHE   72  10.67 +/- 2.29  13.802% *  0.5176% (0.53 10.00   0.02   0.02) =   0.126%  kept
          HB2   GLU-  25 - HZ    PHE   72  18.19 +/- 2.73   1.348% *  0.0982% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  16.68 +/- 2.45   1.640% *  0.0369% (0.38  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HZ    PHE   72  17.18 +/- 3.35   2.640% *  0.0152% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.451, support = 2.93, residual support = 25.2:
        T HB2   LEU   67 - HZ    PHE   72   4.65 +/- 1.65  41.167% * 82.0921% (0.45 10.00   3.02  26.42) =  95.405%  kept
          HB    VAL   18 - HZ    PHE   72   8.72 +/- 4.91  26.303% *  2.6492% (0.22  1.00   1.30   1.15) =   1.967%  kept
          HB    ILE   19 - HZ    PHE   72   9.88 +/- 2.15   6.848% *  8.2752% (0.73  1.00   1.24   1.03) =   1.600%  kept
          HG2   PRO   68 - HZ    PHE   72   9.77 +/- 1.26   5.563% *  5.6490% (0.80  1.00   0.77   0.02) =   0.887%  kept
          HB2   GLN   17 - HZ    PHE   72  11.40 +/- 3.12   3.677% *  0.8157% (0.18  1.00   0.51   0.02) =   0.085%
          HB2   LEU  115 - HZ    PHE   72  14.20 +/- 3.08   6.429% *  0.1529% (0.84  1.00   0.02   0.02) =   0.028%
          QB    GLU- 114 - HZ    PHE   72  16.47 +/- 3.10   3.791% *  0.1185% (0.65  1.00   0.02   0.02) =   0.013%
          HG3   PRO   58 - HZ    PHE   72  14.39 +/- 1.76   2.566% *  0.1588% (0.87  1.00   0.02   0.02) =   0.012%
          QB    GLU-  15 - HZ    PHE   72  13.89 +/- 2.69   2.687% *  0.0321% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HZ    PHE   72  18.57 +/- 2.76   0.970% *  0.0565% (0.31  1.00   0.02   0.02) =   0.002%
    Distance limit 4.69 A violated in 1 structures by 0.27 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.523, support = 2.3, residual support = 15.9:
          HB3   LEU   67 - HZ    PHE   72   4.79 +/- 1.72  36.966% * 27.7425% (0.38   2.93  26.42) =  58.624%  kept
          HG12  ILE   19 - HZ    PHE   72  10.27 +/- 2.69   9.609% * 35.0196% (0.84   1.66   1.03) =  19.236%  kept
          HB3   LYS+  74 - HZ    PHE   72   8.65 +/- 2.22   8.524% * 28.2329% (0.90   1.25   0.82) =  13.757%  kept
          QG    LYS+  66 - HZ    PHE   72   6.80 +/- 1.82  21.418% *  6.5082% (0.22   1.16   0.68) =   7.968%  kept
          QB    ALA   61 - HZ    PHE   72   6.90 +/- 1.48  14.348% *  0.2652% (0.53   0.02   0.02) =   0.218%  kept
          QB    LEU   98 - HZ    PHE   72  11.36 +/- 2.00   3.012% *  0.3261% (0.65   0.02   0.02) =   0.056%
          HB2   LEU   80 - HZ    PHE   72  14.68 +/- 2.59   1.344% *  0.4996% (0.99   0.02   0.02) =   0.038%
          HD3   LYS+ 121 - HZ    PHE   72  15.60 +/- 4.00   1.442% *  0.4653% (0.92   0.02   0.02) =   0.038%
          QB    ALA  110 - HZ    PHE   72  15.94 +/- 3.39   1.400% *  0.3853% (0.76   0.02   0.02) =   0.031%
          HG    LEU   80 - HZ    PHE   72  15.59 +/- 3.44   1.211% *  0.3661% (0.73   0.02   0.02) =   0.025%
          QB    ALA   12 - HZ    PHE   72  17.78 +/- 3.00   0.726% *  0.1892% (0.38   0.02   0.02) =   0.008%
    Distance limit 4.57 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 = 0.568, support = 2.84, residual support = 19.5:
        T QD1   LEU   67 - HZ    PHE   72   3.56 +/- 0.78  49.642% * 39.3606% (0.41 10.00   3.45  26.42) =  72.068%  kept
        T HB    VAL   75 - HZ    PHE   72   6.24 +/- 0.84  12.542% * 59.5055% (0.98 10.00   1.27   1.72) =  27.527%  kept
        T QD1   ILE  119 - HZ    PHE   72  10.71 +/- 2.59  12.154% *  0.5037% (0.53 10.00   0.02   0.02) =   0.226%  kept
          HG3   LYS+  74 - HZ    PHE   72   9.15 +/- 2.61   8.030% *  0.5191% (0.22  1.00   0.49   0.82) =   0.154%  kept
          QD2   LEU   40 - HZ    PHE   72   7.46 +/- 1.74  13.802% *  0.0429% (0.45  1.00   0.02   0.02) =   0.022%
          QG2   ILE  103 - HZ    PHE   72  12.26 +/- 1.86   1.466% *  0.0296% (0.31  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HZ    PHE   72  13.61 +/- 2.94   1.324% *  0.0239% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HZ    PHE   72  14.04 +/- 2.10   1.038% *  0.0148% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.811, support = 3.04, residual support = 22.0:
        T HB3   LEU   63 - HZ    PHE   72   4.66 +/- 1.83  36.997% * 67.8290% (0.95 10.00   3.15  15.59) =  75.862%  kept
        T QG1   VAL   70 - HZ    PHE   72   4.85 +/- 0.81  26.356% * 26.9113% (0.38 10.00   2.83  47.34) =  21.441%  kept
          QG1   VAL   18 - HZ    PHE   72   7.16 +/- 3.83  29.995% *  2.7348% (0.49  1.00   1.57   1.15) =   2.480%  kept
          QD1   LEU   71 - HZ    PHE   72   9.32 +/- 0.69   2.890% *  2.4508% (0.20  1.00   3.45  19.08) =   0.214%  kept
          QG1   VAL  108 - HZ    PHE   72  15.73 +/- 2.04   0.778% *  0.0599% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HZ    PHE   72  12.47 +/- 3.12   2.985% *  0.0142% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.836, support = 2.58, residual support = 20.5:
          QD2   LEU   63 - HZ    PHE   72   3.81 +/- 1.21  45.505% * 29.2163% (0.69   2.84  15.59) =  48.723%  kept
          QD1   LEU   63 - HZ    PHE   72   4.65 +/- 1.38  27.652% * 32.7964% (0.98   2.24  15.59) =  33.236%  kept
          QD1   LEU   73 - HZ    PHE   72   8.37 +/- 1.56  13.168% * 37.1615% (0.98   2.53  43.24) =  17.934%  kept
          QG2   VAL   41 - HZ    PHE   72   8.56 +/- 1.28   5.849% *  0.2685% (0.18   0.10   0.02) =   0.058%
          QD1   LEU  104 - HZ    PHE   72  11.28 +/- 2.89   3.828% *  0.1342% (0.45   0.02   0.02) =   0.019%
          QD2   LEU  115 - HZ    PHE   72  11.19 +/- 2.23   2.203% *  0.2174% (0.73   0.02   0.02) =   0.018%
          QD2   LEU   80 - HZ    PHE   72  13.18 +/- 2.58   1.795% *  0.2057% (0.69   0.02   0.02) =   0.014%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.63, residual support = 47.3:
        T QG2   VAL   70 - HZ    PHE   72   4.43 +/- 0.39 100.000% *100.0000% (0.90 10.00   4.63  47.34) = 100.000%  kept
    Distance limit 4.98 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  70.64) = 100.000%  kept
    Distance limit 3.82 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  99.652% * 99.9913% (0.98  10.0   1.00  70.64) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  19.48 +/- 1.84   0.348% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.71 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  93.741% * 99.8601% (0.98  10.0 10.00   1.00  70.64) =  99.993%  kept
          QD    PHE   97 - HE3   TRP   87   9.50 +/- 2.23   5.899% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HE3   TRP   49 - HE3   TRP   87  20.75 +/- 3.67   0.361% *  0.0382% (0.38   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 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  92.817% * 99.5607% (0.99  10.0   1.00  70.64) =  99.986%  kept
          HD21  ASN   28 - HH2   TRP   87  13.82 +/- 6.55   6.047% *  0.1969% (0.98   1.0   0.02   0.02) =   0.013%
          QE    PHE   60 - HH2   TRP   87  14.85 +/- 3.16   0.634% *  0.0978% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HH2   TRP   87  17.29 +/- 1.94   0.330% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  21.09 +/- 1.81   0.173% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 70.6:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  90.400% * 99.7330% (0.90  10.0   1.00  70.64) =  99.999%  kept
          HN    HIS  122 - HZ2   TRP   87  20.82 +/- 4.61   0.250% *  0.1858% (0.84   1.0   0.02   0.02) =   0.001%
          HN    PHE   59 - HN    ILE   56   5.74 +/- 0.49   8.243% *  0.0027% (0.01   1.0   0.02  22.18) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  18.98 +/- 1.69   0.231% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  14.05 +/- 2.01   0.708% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.09 +/- 1.81   0.168% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.848, support = 0.736, residual support = 5.44:
          HZ2   TRP   27 - HZ2   TRP   87   9.65 +/- 7.16  43.445% * 93.9121% (0.87   0.75   5.59) =  97.217%  kept
          HZ    PHE   72 - HZ2   TRP   87  13.98 +/- 2.68  19.259% *  5.9599% (0.15   0.27   0.02) =   2.735%  kept
          HZ2   TRP   27 - HN    ILE   56  19.72 +/- 4.18  14.575% *  0.1087% (0.04   0.02   0.02) =   0.038%
          HZ    PHE   72 - HN    ILE   56  13.79 +/- 1.89  22.721% *  0.0193% (0.01   0.02   0.02) =   0.010%
    Distance limit 4.45 A violated in 11 structures by 4.45 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.711, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HZ3   TRP   87  12.80 +/- 1.82  29.190% * 10.8062% (0.49   0.02   0.02) =  22.959%  kept
          HN    LEU   67 - HZ3   TRP   87  18.71 +/- 3.28  13.012% * 19.9101% (0.90   0.02   0.02) =  18.857%  kept
          HD1   TRP   49 - HZ3   TRP   87  20.16 +/- 3.81  11.029% * 22.0041% (0.99   0.02   0.02) =  17.664%  kept
          HD21  ASN   35 - HZ3   TRP   87  18.91 +/- 6.27  16.660% * 11.6802% (0.53   0.02   0.02) =  14.164%  kept
          HD2   HIS   22 - HZ3   TRP   87  20.58 +/- 4.01   8.277% * 20.4937% (0.92   0.02   0.02) =  12.347%  kept
          HN    THR   23 - HZ3   TRP   87  18.66 +/- 4.24  14.255% * 11.6802% (0.53   0.02   0.02) =  12.119%  kept
          QD    PHE   55 - HZ3   TRP   87  19.98 +/- 2.09   7.577% *  3.4254% (0.15   0.02   0.02) =   1.889%  kept
    Distance limit 3.88 A violated in 20 structures by 6.91 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   3.77 +/- 0.21  94.914% * 97.7118% (0.38   3.72  22.69) =  99.959%  kept
          HN    GLU-  29 - HD1   TRP   87  18.31 +/- 5.27   1.553% *  1.1203% (0.80   0.02   0.02) =   0.019%
          HN    VAL   18 - HD1   TRP   87  20.02 +/- 4.85   1.896% *  0.7361% (0.53   0.02   0.02) =   0.015%
          HN    GLN   30 - HD1   TRP   87  17.60 +/- 4.69   1.636% *  0.4318% (0.31   0.02   0.02) =   0.008%
    Distance limit 4.94 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 = 1.72:
          QD1   LEU   31 - HH2   TRP   87   9.51 +/- 6.23 100.000% *100.0000% (0.80   0.75   1.72) = 100.000%  kept
    Distance limit 5.08 A violated in 10 structures by 5.04 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.567, support = 1.44, residual support = 1.56:
          QD2   LEU   98 - HH2   TRP   87   6.06 +/- 2.65  32.979% * 52.7846% (0.53  1.00   1.82   2.19) =  66.544%  kept
          QG2   VAL   41 - HH2   TRP   87   8.13 +/- 4.44  22.088% * 28.7634% (0.73  1.00   0.72   0.37) =  24.286%  kept
          QD1   LEU   73 - HH2   TRP   87  10.68 +/- 4.08  15.428% * 14.2055% (0.45  1.00   0.58   0.10) =   8.378%  kept
        T QD2   LEU  115 - HH2   TRP   87  16.07 +/- 1.95   3.715% *  1.9265% (0.18 10.00   0.02   0.02) =   0.274%  kept
          QD2   LEU   63 - HH2   TRP   87  13.24 +/- 2.61   4.745% *  1.0783% (0.98  1.00   0.02   0.02) =   0.196%  kept
          QD1   LEU   80 - HH2   TRP   87  10.78 +/- 1.79   8.759% *  0.5788% (0.53  1.00   0.02   0.02) =   0.194%  kept
          QD1   LEU   63 - HH2   TRP   87  13.95 +/- 2.86   3.959% *  0.4932% (0.45  1.00   0.02   0.02) =   0.075%
          QD2   LEU   80 - HH2   TRP   87  10.27 +/- 2.13   8.326% *  0.1697% (0.15  1.00   0.02   0.02) =   0.054%
    Distance limit 4.92 A violated in 5 structures by 0.85 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.761, support = 0.737, residual support = 2.16:
          QD1   LEU   98 - HH2   TRP   87   6.44 +/- 2.76  48.544% * 94.3481% (0.76   0.75   2.19) =  98.251%  kept
          QD2   LEU  104 - HH2   TRP   87   9.88 +/- 2.65  21.052% *  2.3906% (0.73   0.02   0.02) =   1.080%  kept
          QD1   ILE   19 - HH2   TRP   87  14.88 +/- 3.63   8.226% *  1.8639% (0.57   0.02   0.02) =   0.329%  kept
          QG2   THR   46 - HH2   TRP   87  13.25 +/- 1.32  12.705% *  0.8209% (0.25   0.02   0.02) =   0.224%  kept
          QG2   VAL   18 - HH2   TRP   87  15.11 +/- 4.03   9.472% *  0.5766% (0.18   0.02   0.02) =   0.117%  kept
    Distance limit 4.47 A violated in 9 structures by 1.49 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 70.6:
      O T HB2   TRP   87 - HE3   TRP   87   2.44 +/- 0.17  99.686% * 99.0099% (1.00  10.0 10.00   3.23  70.64) =  99.997%  kept
        T HB2   PHE   60 - HE3   TRP   87  17.27 +/- 1.85   0.314% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (0.96, 7.71, 120.66 ppm):
    7 chemical-shift based assignments, quality = 0.936, support = 0.432, residual support = 0.506:
        T QD1   ILE  103 - HE3   TRP   87   6.66 +/- 2.90  33.398% * 97.2647% (0.95 10.00   0.44   0.51) =  98.487%  kept
          QG2   ILE  103 - HE3   TRP   87   7.20 +/- 2.79  27.446% *  1.5004% (0.28  1.00   0.23   0.51) =   1.249%  kept
          QD2   LEU   71 - HE3   TRP   87  15.75 +/- 4.32  10.614% *  0.4095% (0.87  1.00   0.02   0.02) =   0.132%  kept
          QG2   ILE  119 - HE3   TRP   87  17.32 +/- 2.46   3.282% *  0.4721% (1.00  1.00   0.02   0.02) =   0.047%
          HG3   LYS+  74 - HE3   TRP   87  16.29 +/- 3.78   7.217% *  0.1772% (0.38  1.00   0.02   0.02) =   0.039%
          QD2   LEU   40 - HE3   TRP   87  11.83 +/- 2.94  11.637% *  0.0827% (0.18  1.00   0.02   0.02) =   0.029%
          QD1   LEU   67 - HE3   TRP   87  14.42 +/- 3.23   6.406% *  0.0934% (0.20  1.00   0.02   0.02) =   0.018%
    Distance limit 5.00 A violated in 7 structures by 1.25 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   4.21 +/- 0.35  95.204% * 99.0823% (0.80   4.13  70.64) =  99.987%  kept
          HA    PHE   59 - HD1   TRP   87  17.68 +/- 2.16   1.435% *  0.5787% (0.97   0.02   0.02) =   0.009%
          HA    LYS+  99 - HD1   TRP   87  15.28 +/- 1.64   2.506% *  0.0925% (0.15   0.02   0.02) =   0.002%
          HA    ASP- 113 - HD1   TRP   87  21.33 +/- 2.25   0.855% *  0.2465% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.93 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 = 16.3:
        T HA    VAL   83 - HD1   TRP   87   4.09 +/- 0.28  91.056% * 95.9068% (0.41 10.00   4.31  16.35) =  99.904%  kept
        T HA    VAL   24 - HD1   TRP   87  14.77 +/- 5.85   5.753% *  0.8755% (0.38 10.00   0.02   0.02) =   0.058%
        T HA    LYS+  38 - HD1   TRP   87  21.18 +/- 2.89   0.820% *  2.0922% (0.90 10.00   0.02   0.02) =   0.020%
        T HA    GLU- 100 - HD1   TRP   87  17.40 +/- 1.92   1.501% *  1.0459% (0.45 10.00   0.02   0.02) =   0.018%
          HD2   PRO   58 - HD1   TRP   87  19.90 +/- 1.93   0.870% *  0.0796% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.62 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   3.87 +/- 0.09  98.389% * 99.0099% (1.00  10.0  1.00   3.94  70.64) =  99.984%  kept
        T HB2   PHE   60 - HD1   TRP   87  16.56 +/- 2.33   1.611% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.016%
    Distance limit 4.85 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   2.99 +/- 0.37  94.484% * 98.2033% (1.00 10.00   3.60  22.69) =  99.985%  kept
        T HB2   ASN   28 - HD1   TRP   87  17.69 +/- 5.94   1.079% *  0.8221% (0.84 10.00   0.02   0.02) =   0.010%
        T HB2   ASN   35 - HD1   TRP   87  22.28 +/- 4.60   0.381% *  0.7881% (0.80 10.00   0.02   0.02) =   0.003%
          QE    LYS+  65 - HD1   TRP   87  17.75 +/- 3.97   1.555% *  0.0931% (0.95  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD1   TRP   87  12.30 +/- 1.67   1.998% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  19.17 +/- 3.03   0.503% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.8, residual support = 70.6:
      O   HB3   TRP   87 - HD1   TRP   87   2.88 +/- 0.21  90.645% * 99.2543% (0.25  10.0   3.80  70.64) =  99.978%  kept
          HG3   MET   96 - HD1   TRP   87   7.86 +/- 1.67   7.839% *  0.2254% (0.57   1.0   0.02   0.02) =   0.020%
          HB3   ASP-  62 - HD1   TRP   87  17.63 +/- 3.04   1.110% *  0.0788% (0.20   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HD1   TRP   87  25.06 +/- 3.80   0.162% *  0.3187% (0.80   1.0   0.02   0.02) =   0.001%
          HG3   GLN  116 - HD1   TRP   87  21.81 +/- 1.45   0.244% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.874, support = 3.61, residual support = 16.6:
        T QG2   VAL   83 - HD1   TRP   87   2.76 +/- 0.53  53.356% * 87.1822% (0.90 10.00   3.57  16.35) =  90.967%  kept
          QD1   ILE   89 - HD1   TRP   87   3.44 +/- 0.79  36.314% * 12.7127% (0.65  1.00   4.04  18.93) =   9.028%  kept
          QD2   LEU   31 - HD1   TRP   87  12.40 +/- 4.38   1.352% *  0.0920% (0.95  1.00   0.02   1.72) =   0.002%
          QG2   VAL   43 - HD1   TRP   87   6.37 +/- 1.99   8.978% *  0.0132% (0.14  1.00   0.02   0.02) =   0.002%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.62, 7.75, 128.42 ppm):
    3 chemical-shift based assignments, quality = 0.921, support = 1.14, residual support = 18.6:
        T QG2   ILE   89 - HD1   TRP   87   4.39 +/- 0.19  43.927% * 90.4430% (0.95 10.00   1.10  18.93) =  88.532%  kept
          QG1   VAL   83 - HD1   TRP   87   4.06 +/- 0.82  54.112% *  9.5084% (0.73  1.00   1.50  16.35) =  11.465%  kept
          QD1   LEU  104 - HD1   TRP   87  13.40 +/- 1.77   1.961% *  0.0485% (0.28  1.00   0.02   0.02) =   0.002%
    Distance limit 4.99 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 = 0.581, support = 0.65, residual support = 1.23:
          QD2   LEU   98 - HZ2   TRP   87   6.71 +/- 2.41  18.728% * 37.2804% (0.53   0.75   2.19) =  49.339%  kept
          QG2   VAL   41 - HZ2   TRP   87   8.61 +/- 3.81  12.339% * 40.9515% (0.73   0.60   0.37) =  35.706%  kept
          QD1   LEU   73 - HZ2   TRP   87   9.96 +/- 3.90  11.035% * 16.0633% (0.45   0.38   0.10) =  12.526%  kept
          QD2   LEU  115 - HN    ILE   56   6.32 +/- 1.49  16.812% *  1.0765% (0.01   1.50   0.10) =   1.279%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.76 +/- 1.78   6.975% *  0.9941% (0.53   0.02   0.02) =   0.490%  kept
          QD2   LEU   63 - HZ2   TRP   87  13.04 +/- 2.45   2.109% *  1.8522% (0.98   0.02   0.02) =   0.276%  kept
          QD2   LEU   80 - HZ2   TRP   87   8.25 +/- 2.10   8.168% *  0.2916% (0.15   0.02   0.02) =   0.168%  kept
          QD1   LEU   63 - HZ2   TRP   87  13.66 +/- 2.87   1.935% *  0.8472% (0.45   0.02   0.02) =   0.116%  kept
          QD2   LEU   63 - HN    ILE   56   9.60 +/- 2.19   6.065% *  0.0804% (0.04   0.02   0.02) =   0.034%
          QD2   LEU  115 - HZ2   TRP   87  15.96 +/- 1.62   1.098% *  0.3309% (0.18   0.02   0.02) =   0.026%
          QD1   LEU   63 - HN    ILE   56   8.42 +/- 2.11   7.131% *  0.0368% (0.02   0.02   0.02) =   0.019%
          QD1   LEU   73 - HN    ILE   56  14.62 +/- 3.30   4.182% *  0.0368% (0.02   0.02   0.02) =   0.011%
          QG2   VAL   41 - HN    ILE   56  17.01 +/- 1.93   1.055% *  0.0595% (0.03   0.02   0.02) =   0.004%
          QD1   LEU   80 - HN    ILE   56  17.30 +/- 2.97   0.861% *  0.0431% (0.02   0.02   0.02) =   0.003%
          QD2   LEU   98 - HN    ILE   56  17.15 +/- 2.05   0.730% *  0.0431% (0.02   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    ILE   56  17.52 +/- 2.57   0.777% *  0.0127% (0.01   0.02   0.02) =   0.001%
    Distance limit 5.24 A violated in 0 structures by 0.13 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.186, support = 0.67, residual support = 1.54:
          QD1   LEU   31 - HZ2   TRP   87   9.40 +/- 6.18  29.397% * 92.4210% (0.15   0.75   1.72) =  89.086%  kept
          QG2   VAL   43 - HZ2   TRP   87   5.56 +/- 2.66  45.759% *  7.1612% (0.45   0.02   0.02) =  10.745%  kept
          QG2   VAL   43 - HN    ILE   56  13.89 +/- 1.60  12.240% *  0.3108% (0.02   0.02   0.02) =   0.125%  kept
          QD1   LEU   31 - HN    ILE   56  17.86 +/- 3.31  12.604% *  0.1070% (0.01   0.02   0.02) =   0.044%
    Distance limit 4.90 A violated in 5 structures by 1.10 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.745, support = 2.77, residual support = 58.8:
          HA    TRP   49 - HE3   TRP   49   4.21 +/- 0.76  53.435% * 48.7237% (0.69   3.17  85.95) =  66.221%  kept
          HA    CYS   50 - HE3   TRP   49   5.71 +/- 1.34  29.792% * 41.0090% (0.87   2.11   4.86) =  31.075%  kept
          HA    ALA   47 - HE3   TRP   49   7.54 +/- 1.20  11.271% *  9.2984% (0.76   0.54  15.67) =   2.666%  kept
          HA    VAL  108 - HE3   TRP   49  16.37 +/- 3.88   2.368% *  0.2893% (0.65   0.02   0.02) =   0.017%
          HA1   GLY  109 - HE3   TRP   49  17.27 +/- 4.57   1.697% *  0.3735% (0.84   0.02   0.02) =   0.016%
          HA    CYS   21 - HE3   TRP   49  21.69 +/- 4.38   0.531% *  0.2177% (0.49   0.02   0.02) =   0.003%
          HA    LYS+ 102 - HE3   TRP   49  26.19 +/- 6.67   0.907% *  0.0885% (0.20   0.02   0.02) =   0.002%
    Distance limit 5.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 3.57, residual support = 85.9:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  75.951% * 98.2313% (1.00   3.58  85.95) =  99.895%  kept
          QE    PHE   95 - HE3   TRP   49  12.59 +/- 2.74  10.157% *  0.2065% (0.38   0.02   0.02) =   0.028%
          HD2   HIS   22 - HE3   TRP   49  22.51 +/- 4.97   3.882% *  0.5394% (0.98   0.02   0.02) =   0.028%
          HD21  ASN   35 - HE3   TRP   49  30.79 +/- 7.26   5.114% *  0.3560% (0.65   0.02   0.02) =   0.024%
          HN    LEU   67 - HE3   TRP   49  19.98 +/- 4.56   3.312% *  0.4406% (0.80   0.02   0.02) =   0.020%
          HN    THR   23 - HE3   TRP   49  22.09 +/- 3.73   1.583% *  0.2262% (0.41   0.02   0.02) =   0.005%
    Distance limit 4.33 A violated in 0 structures by 0.76 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.766, support = 0.02, residual support = 46.3:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  43.772% * 16.7579% (0.84   0.02  85.95) =  53.891%  kept
          QE    PHE   95 - HH2   TRP   49  11.37 +/- 2.55  14.642% * 15.3326% (0.76   0.02   0.02) =  16.494%  kept
          HN    LEU   67 - HH2   TRP   49  19.15 +/- 5.31   8.079% * 20.0629% (1.00   0.02   0.02) =  11.908%  kept
          QD    PHE   55 - HH2   TRP   49  10.66 +/- 3.77  20.812% *  6.8436% (0.34   0.02   0.02) =  10.464%  kept
          HD21  ASN   35 - HH2   TRP   49  29.29 +/- 7.49   6.274% *  5.5782% (0.28   0.02   0.02) =   2.571%  kept
          HN    THR   23 - HH2   TRP   49  22.10 +/- 3.29   1.421% * 16.0651% (0.80   0.02   0.02) =   1.677%  kept
          HD2   HIS   22 - HH2   TRP   49  22.62 +/- 4.44   1.569% * 13.7814% (0.69   0.02   0.02) =   1.589%  kept
          HE3   TRP   27 - HH2   TRP   49  20.65 +/- 4.18   3.431% *  5.5782% (0.28   0.02   0.02) =   1.406%  kept
    Distance limit 4.23 A violated in 18 structures by 1.99 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.744, support = 4.15, residual support = 55.5:
          HA    TRP   49 - HD1   TRP   49   4.19 +/- 0.54  42.440% * 45.5883% (0.69   5.02  85.95) =  60.749%  kept
          HA    CYS   50 - HD1   TRP   49   5.72 +/- 0.72  20.256% * 41.0310% (0.87   3.58   4.86) =  26.096%  kept
          HA    ALA   47 - HD1   TRP   49   4.89 +/- 1.26  32.652% * 12.8081% (0.76   1.27  15.67) =  13.131%  kept
          HA    VAL  108 - HD1   TRP   49  15.27 +/- 3.95   1.863% *  0.1710% (0.65   0.02   0.02) =   0.010%
          HA1   GLY  109 - HD1   TRP   49  16.67 +/- 4.58   1.143% *  0.2207% (0.84   0.02   0.02) =   0.008%
          HA    CYS   21 - HD1   TRP   49  20.40 +/- 3.77   1.154% *  0.1286% (0.49   0.02   0.02) =   0.005%
          HA    LYS+ 102 - HD1   TRP   49  24.88 +/- 5.23   0.492% *  0.0523% (0.20   0.02   0.02) =   0.001%
    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 = 3.85, residual support = 73.4:
          HN    PHE   95 - QD    PHE   95   3.19 +/- 0.52 100.000% *100.0000% (0.61   3.85  73.43) = 100.000%  kept
    Distance limit 4.75 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   2.61 +/- 0.41 100.000% *100.0000% (0.98 10.00   3.44  73.43) = 100.000%  kept
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (4.29, 7.02, 132.19 ppm):
    12 chemical-shift based assignments, quality = 0.894, support = 1.91, residual support = 4.21:
          HA    ASP-  44 - QD    PHE   95   4.22 +/- 1.98  51.609% * 92.9445% (0.90   1.92   4.23) =  99.362%  kept
          HB    THR   77 - QD    PHE   95  11.16 +/- 2.48  14.932% *  0.8994% (0.84   0.02   0.02) =   0.278%  kept
          HA    ILE  103 - QD    PHE   95  10.72 +/- 0.99   7.069% *  0.7819% (0.73   0.02   0.02) =   0.115%  kept
          HA    LEU  104 - QD    PHE   95  11.39 +/- 1.54  10.271% *  0.2994% (0.28   0.02   0.02) =   0.064%
          HA    SER   85 - QD    PHE   95  13.56 +/- 1.22   3.374% *  0.8994% (0.84   0.02   0.02) =   0.063%
          HA    ASP-  86 - QD    PHE   95  14.21 +/- 1.56   2.778% *  0.7819% (0.73   0.02   0.02) =   0.045%
          HA1   GLY   51 - QD    PHE   95  13.17 +/- 1.79   4.445% *  0.2131% (0.20   0.02   0.02) =   0.020%
          HA    GLU-  79 - QD    PHE   95  14.37 +/- 1.55   2.501% *  0.3673% (0.34   0.02   0.02) =   0.019%
          HA    GLU-  14 - QD    PHE   95  20.68 +/- 2.42   0.743% *  0.6966% (0.65   0.02   0.02) =   0.011%
          HA    THR   39 - QD    PHE   95  16.07 +/- 1.63   1.458% *  0.2994% (0.28   0.02   0.02) =   0.009%
          HA    MET   11 - QD    PHE   95  27.80 +/- 3.85   0.400% *  0.9940% (0.92   0.02   0.02) =   0.008%
          HA    ALA   12 - QD    PHE   95  25.70 +/- 3.20   0.421% *  0.8229% (0.76   0.02   0.02) =   0.007%
    Distance limit 4.72 A violated in 3 structures by 0.45 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  73.43) = 100.000%  kept
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (2.54, 7.02, 132.19 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 73.4:
      O T HB3   PHE   95 - QD    PHE   95   2.52 +/- 0.16  97.405% * 99.8712% (0.99  10.0 10.00   3.31  73.43) =  99.997%  kept
          HG2   GLN  116 - QD    PHE   95   9.18 +/- 1.17   2.387% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  25 - QD    PHE   95  20.26 +/- 1.66   0.208% *  0.0280% (0.28   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 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.919, support = 3.69, residual support = 45.6:
        T HB    VAL  107 - QD    PHE   95   2.61 +/- 0.64  72.068% * 94.8944% (0.92 10.00   3.72  46.01) =  99.081%  kept
          QE    LYS+ 112 - QD    PHE   95   7.41 +/- 2.02  16.558% *  2.0282% (0.53  1.00   0.75   3.68) =   0.487%  kept
          HB3   PHE   45 - QD    PHE   95   5.90 +/- 1.27  10.143% *  2.9375% (0.53  1.00   1.09   1.89) =   0.432%  kept
          QG    GLU-  79 - QD    PHE   95  12.60 +/- 1.52   0.964% *  0.0541% (0.53  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QD    PHE   95  18.31 +/- 1.77   0.267% *  0.0859% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.731, support = 0.682, residual support = 2.59:
          HB3   ASP-  44 - QD    PHE   95   4.98 +/- 2.48  26.303% * 25.3811% (0.76   0.75   4.23) =  48.082%  kept
          HB2   LEU   63 - QD    PHE   95   7.40 +/- 2.39  11.455% * 24.5795% (0.65   0.86   2.45) =  20.278%  kept
          HB3   PRO   93 - QD    PHE   95   5.62 +/- 1.30  17.257% * 10.5024% (1.00   0.24   0.02) =  13.053%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.39 +/- 1.39  10.158% * 17.7828% (0.61   0.66   0.12) =  13.009%  kept
          HB    VAL   42 - QD    PHE   95   7.92 +/- 1.90   5.226% * 10.2506% (0.31   0.75   0.81) =   3.858%  kept
          HG    LEU   98 - QD    PHE   95  10.55 +/- 1.32   1.747% *  5.9290% (0.97   0.14   0.02) =   0.746%  kept
          HB2   LYS+ 112 - QD    PHE   95   8.43 +/- 1.97   8.035% *  0.4311% (0.49   0.02   3.68) =   0.249%  kept
          HG3   LYS+  65 - QD    PHE   95  11.92 +/- 2.15   1.700% *  1.4766% (0.31   0.11   0.02) =   0.181%  kept
          QB    ALA   84 - QD    PHE   95   9.79 +/- 1.02   2.582% *  0.8837% (1.00   0.02   0.02) =   0.164%  kept
          HB3   LEU   73 - QD    PHE   95  10.97 +/- 2.81   5.516% *  0.3324% (0.38   0.02   0.02) =   0.132%  kept
          HG2   LYS+ 111 - QD    PHE   95  10.05 +/- 2.41   6.533% *  0.2733% (0.31   0.02   0.12) =   0.129%  kept
          HB3   LEU   80 - QD    PHE   95  13.07 +/- 1.94   1.288% *  0.4660% (0.53   0.02   0.02) =   0.043%
          QB    ALA  124 - QD    PHE   95  14.47 +/- 1.96   0.750% *  0.7943% (0.90   0.02   0.02) =   0.043%
          HG3   LYS+ 102 - QD    PHE   95  15.86 +/- 1.47   0.530% *  0.3641% (0.41   0.02   0.02) =   0.014%
          HB2   LEU   31 - QD    PHE   95  15.84 +/- 2.07   0.531% *  0.3324% (0.38   0.02   0.02) =   0.013%
          HG3   LYS+  33 - QD    PHE   95  17.51 +/- 2.03   0.390% *  0.2208% (0.25   0.02   0.02) =   0.006%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.38, residual support = 46.0:
        T QG2   VAL  107 - QD    PHE   95   2.47 +/- 0.60  91.015% * 98.6419% (0.99 10.00   4.38  46.01) =  99.956%  kept
          HG13  ILE  103 - QD    PHE   95  10.20 +/- 1.15   2.818% *  1.2233% (0.80  1.00   0.31   0.02) =   0.038%
          HG2   LYS+ 121 - QD    PHE   95  11.29 +/- 3.16   5.187% *  0.0863% (0.87  1.00   0.02   0.02) =   0.005%
          QB    ALA   20 - QD    PHE   95  13.05 +/- 1.80   0.981% *  0.0484% (0.49  1.00   0.02   0.02) =   0.001%
    Distance limit 4.25 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 = 0.969, support = 1.42, residual support = 6.03:
        T QD2   LEU  115 - QD    PHE   95   4.88 +/- 1.25  28.135% * 81.6265% (0.99 10.00   1.31   6.72) =  84.590%  kept
          QD1   LEU   63 - QD    PHE   95   6.08 +/- 3.10  25.895% * 13.3450% (0.90  1.00   2.36   2.45) =  12.728%  kept
          QD1   LEU   73 - QD    PHE   95   9.63 +/- 2.60  13.210% *  2.7689% (0.90  1.00   0.49   0.02) =   1.347%  kept
          QD2   LEU   63 - QD    PHE   95   6.22 +/- 2.63  17.627% *  1.9834% (0.31  1.00   1.02   2.45) =   1.288%  kept
          QD1   LEU  104 - QD    PHE   95   9.60 +/- 1.70   5.391% *  0.1053% (0.84  1.00   0.02   0.02) =   0.021%
          QD2   LEU   80 - QD    PHE   95  12.10 +/- 1.51   3.021% *  0.1236% (0.98  1.00   0.02   0.02) =   0.014%
          QG1   VAL   83 - QD    PHE   95  10.39 +/- 1.73   6.721% *  0.0473% (0.38  1.00   0.02   0.02) =   0.012%
    Distance limit 4.85 A violated in 1 structures by 0.12 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.68, support = 0.802, residual support = 0.624:
        T QG1   VAL   42 - QD    PHE   95   5.21 +/- 2.07  46.159% * 39.9532% (0.65 10.00   0.75   0.81) =  65.370%  kept
        T QB    ALA   47 - QD    PHE   95   8.39 +/- 1.90  16.378% * 54.4049% (0.76 10.00   0.86   0.24) =  31.585%  kept
          QB    ALA   64 - QD    PHE   95   7.75 +/- 1.48  15.161% *  5.5911% (0.53  1.00   1.29   0.55) =   3.005%  kept
          HG2   LYS+ 112 - QD    PHE   95   7.96 +/- 2.22  22.302% *  0.0508% (0.31  1.00   0.02   3.68) =   0.040%
    Distance limit 4.58 A violated in 1 structures by 0.45 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.717, support = 4.82, residual support = 18.8:
          HA    ILE  119 - HD2   HIS  122   2.22 +/- 0.19  84.351% * 60.1700% (0.73   4.87  19.73) =  94.376%  kept
          HA    THR  118 - HD2   HIS  122   5.03 +/- 0.33   7.720% * 39.0649% (0.57   4.06   3.24) =   5.608%  kept
          HD3   PRO   58 - HD2   HIS  122  10.02 +/- 2.60   6.889% *  0.1050% (0.31   0.02   0.02) =   0.013%
          HA    VAL   75 - HD2   HIS  122  16.73 +/- 3.14   0.295% *  0.1927% (0.57   0.02   0.02) =   0.001%
          HA2   GLY  109 - HD2   HIS  122  15.57 +/- 2.78   0.414% *  0.0946% (0.28   0.02   0.02) =   0.001%
          HB2   TRP   49 - HD2   HIS  122  21.83 +/- 2.75   0.161% *  0.2201% (0.65   0.02   0.02) =   0.001%
          HA    ALA   84 - HD2   HIS  122  19.95 +/- 3.20   0.172% *  0.1526% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 71.0:
      O T HB2   HIS  122 - HD2   HIS  122   3.69 +/- 0.46  90.102% * 99.7225% (0.49  10.0 10.00   3.60  71.03) =  99.989%  kept
          HA    LYS+ 112 - HD2   HIS  122  11.73 +/- 0.90   3.352% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.006%
          HB2   HIS   22 - HD2   HIS  122  22.55 +/- 6.38   5.015% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          HB    THR   46 - HD2   HIS  122  15.55 +/- 2.05   1.531% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.92 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 = 4.29, residual support = 69.8:
      O T HB3   HIS  122 - HD2   HIS  122   3.16 +/- 0.45  65.074% * 85.8876% (0.97  10.0 10.00   4.26  71.03) =  92.509%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.02 +/- 1.32  32.223% * 14.0422% (0.69   1.0  1.00   4.59  54.38) =   7.489%  kept
          HB3   ASP-  78 - HD2   HIS  122  22.26 +/- 3.97   0.865% *  0.0504% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HD2   HIS  122  19.62 +/- 5.23   1.838% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.671, support = 0.073, residual support = 0.02:
          QB    LYS+ 106 - HD2   HIS  122  11.41 +/- 3.64   9.737% * 38.3363% (0.65   0.14   0.02) =  45.769%  kept
          HB    ILE   56 - HD2   HIS  122   9.73 +/- 2.17  15.850% *  8.5534% (0.98   0.02   0.02) =  16.624%  kept
          HB3   PRO   58 - HD2   HIS  122   9.50 +/- 2.92  17.918% *  5.2927% (0.61   0.02   0.02) =  11.628%  kept
          HB3   ASP- 105 - HD2   HIS  122   9.53 +/- 5.91  22.191% *  2.9766% (0.34   0.02   0.02) =   8.099%  kept
          HB3   GLN   30 - HD2   HIS  122  18.92 +/- 5.02   5.492% *  8.0553% (0.92   0.02   0.02) =   5.425%  kept
          HG3   PRO   68 - HD2   HIS  122  16.21 +/- 5.45  10.590% *  2.1759% (0.25   0.02   0.02) =   2.826%  kept
          QB    LYS+  33 - HD2   HIS  122  19.60 +/- 5.41   5.065% *  3.9122% (0.45   0.02   0.02) =   2.430%  kept
          HB3   LYS+  38 - HD2   HIS  122  21.85 +/- 5.11   1.678% *  8.7068% (1.00   0.02   0.02) =   1.792%  kept
          HB2   MET   92 - HD2   HIS  122  18.80 +/- 2.01   1.687% *  6.9874% (0.80   0.02   0.02) =   1.446%  kept
          HG2   ARG+  54 - HD2   HIS  122  16.80 +/- 2.60   3.773% *  2.6933% (0.31   0.02   0.02) =   1.246%  kept
          QB    LYS+  81 - HD2   HIS  122  22.14 +/- 2.98   1.851% *  5.2927% (0.61   0.02   0.02) =   1.201%  kept
          HB    ILE  103 - HD2   HIS  122  15.96 +/- 5.10   3.129% *  2.4262% (0.28   0.02   0.02) =   0.931%  kept
          HB3   GLN   90 - HD2   HIS  122  21.97 +/- 2.44   1.040% *  4.5911% (0.53   0.02   0.02) =   0.585%  kept
    Distance limit 4.85 A violated in 12 structures by 1.46 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 = 0.886, support = 6.03, residual support = 52.3:
          HB2   LYS+ 121 - HD2   HIS  122   3.38 +/- 0.45  68.675% * 68.6136% (0.92   6.16  54.38) =  90.756%  kept
          HB2   LEU  123 - HD2   HIS  122   6.46 +/- 0.71  15.875% * 30.1174% (0.53   4.75  31.46) =   9.208%  kept
          QD    LYS+  65 - HD2   HIS  122  12.67 +/- 2.24   2.392% *  0.2282% (0.95   0.02   0.02) =   0.011%
          HB    VAL   83 - HD2   HIS  122  20.96 +/- 4.62   1.513% *  0.2365% (0.98   0.02   0.02) =   0.007%
          QB    ALA   57 - HD2   HIS  122  10.45 +/- 2.43   6.547% *  0.0372% (0.15   0.02   0.02) =   0.005%
          QD    LYS+  38 - HD2   HIS  122  20.24 +/- 4.86   1.003% *  0.2407% (1.00   0.02   0.02) =   0.005%
          QD    LYS+ 102 - HD2   HIS  122  17.78 +/- 5.02   0.808% *  0.1844% (0.76   0.02   0.02) =   0.003%
          HG3   PRO   93 - HD2   HIS  122  15.66 +/- 2.75   0.985% *  0.1366% (0.57   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HD2   HIS  122  17.39 +/- 3.38   0.931% *  0.0905% (0.38   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HD2   HIS  122  16.84 +/- 1.59   0.668% *  0.0671% (0.28   0.02   0.02) =   0.001%
          HB3   MET   92 - HD2   HIS  122  17.73 +/- 2.22   0.604% *  0.0477% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.75 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 = 0.767, support = 4.97, residual support = 54.3:
          HB3   LYS+ 121 - HD2   HIS  122   4.52 +/- 0.65  34.890% * 69.9862% (1.00   4.76  54.38) =  64.773%  kept
          HD2   LYS+ 121 - HD2   HIS  122   3.92 +/- 1.25  48.890% * 26.9946% (0.34   5.38  54.38) =  35.009%  kept
          HG    LEU  104 - HD2   HIS  122  13.50 +/- 6.10   2.863% *  1.9950% (1.00   0.14   0.02) =   0.152%  kept
          QD    LYS+  66 - HD2   HIS  122  12.14 +/- 4.19   8.127% *  0.2138% (0.73   0.02   0.02) =   0.046%
          HB3   LYS+ 111 - HD2   HIS  122  14.91 +/- 1.66   0.902% *  0.2841% (0.97   0.02   0.02) =   0.007%
          HD3   LYS+  74 - HD2   HIS  122  18.05 +/- 3.50   0.668% *  0.2785% (0.95   0.02   0.02) =   0.005%
          HG2   LYS+  33 - HD2   HIS  122  20.84 +/- 5.98   1.434% *  0.1004% (0.34   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HD2   HIS  122  14.61 +/- 2.54   1.409% *  0.0819% (0.28   0.02   0.02) =   0.003%
          QG2   THR   26 - HD2   HIS  122  17.87 +/- 4.32   0.818% *  0.0655% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.87 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 = 0.184, support = 3.5, residual support = 19.4:
          QG2   ILE  119 - HD2   HIS  122   3.72 +/- 0.21  71.923% * 75.2186% (0.18  1.00   3.55  19.73) =  98.580%  kept
          QD1   LEU   67 - HD2   HIS  122  11.55 +/- 3.57   8.838% *  2.4145% (1.00  1.00   0.02   0.02) =   0.389%  kept
        T HB    VAL   75 - HD2   HIS  122  15.02 +/- 2.56   1.501% * 13.7000% (0.57 10.00   0.02   0.02) =   0.375%  kept
          QD2   LEU   40 - HD2   HIS  122  11.51 +/- 4.63   7.914% *  2.4198% (1.00  1.00   0.02   0.02) =   0.349%  kept
          QG2   ILE  103 - HD2   HIS  122  11.60 +/- 4.27   4.751% *  2.3353% (0.97  1.00   0.02   0.02) =   0.202%  kept
          HG3   LYS+  74 - HD2   HIS  122  17.72 +/- 3.91   1.089% *  2.1702% (0.90  1.00   0.02   0.02) =   0.043%
          QD2   LEU   71 - HD2   HIS  122  15.00 +/- 2.87   1.713% *  0.9948% (0.41  1.00   0.02   0.02) =   0.031%
          QD1   ILE  103 - HD2   HIS  122  14.27 +/- 3.93   2.271% *  0.7469% (0.31  1.00   0.02   0.02) =   0.031%
    Distance limit 4.79 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 = 4.44, residual support = 31.3:
          QD1   LEU  123 - HD2   HIS  122   4.13 +/- 0.29  55.423% * 52.1361% (0.49   4.63  31.46) =  74.669%  kept
          QD2   LEU  123 - HD2   HIS  122   6.27 +/- 0.78  21.320% * 44.7953% (0.49   3.98  31.46) =  24.679%  kept
          HB3   LEU  104 - HD2   HIS  122  12.56 +/- 6.55   8.885% *  2.6234% (0.84   0.14   0.02) =   0.602%  kept
          QG1   VAL   70 - HD2   HIS  122  11.28 +/- 3.90  11.183% *  0.1286% (0.28   0.02   0.02) =   0.037%
          QD1   LEU   71 - HD2   HIS  122  15.40 +/- 2.65   1.369% *  0.2251% (0.49   0.02   0.02) =   0.008%
          QG1   VAL   18 - HD2   HIS  122  14.27 +/- 3.30   1.820% *  0.0915% (0.20   0.02   0.02) =   0.004%
    Distance limit 4.94 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 = 0.984, residual support = 3.24:
        T QG2   THR  118 - HD2   HIS  122   3.42 +/- 0.19 100.000% *100.0000% (0.69 10.00   0.98   3.24) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.05 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 = 0.852, support = 1.29, residual support = 17.0:
          HB3   LEU   73 - HE3   TRP   27   5.04 +/- 1.91  26.991% * 45.0144% (0.94   1.39  21.30) =  79.293%  kept
          HB    VAL   42 - HE3   TRP   27   9.39 +/- 1.52   4.043% * 31.8581% (0.97   0.95   0.02) =   8.406%  kept
          HG3   LYS+  65 - HN    LEU   67   5.74 +/- 1.07  18.748% *  5.2045% (0.15   1.00   0.34) =   6.368%  kept
          HB3   LYS+  74 - HE3   TRP   27   8.10 +/- 1.48   7.185% *  8.9592% (0.31   0.85   0.02) =   4.201%  kept
          HB2   LEU   80 - HE3   TRP   27  12.15 +/- 6.20   4.936% *  3.4658% (0.17   0.58   5.86) =   1.116%  kept
          HG3   LYS+  33 - HE3   TRP   27   8.40 +/- 1.08   4.521% *  0.6820% (0.99   0.02   0.02) =   0.201%  kept
          QB    LEU   98 - HE3   TRP   27  11.23 +/- 3.06   3.730% *  0.3870% (0.56   0.02   0.02) =   0.094%
          HG3   LYS+  65 - HE3   TRP   27  13.90 +/- 3.24   1.823% *  0.6700% (0.97   0.02   0.02) =   0.080%
          HG3   LYS+ 102 - HE3   TRP   27  18.70 +/- 4.29   0.921% *  0.6310% (0.91   0.02   0.02) =   0.038%
          HB    VAL   42 - HN    LEU   67   9.20 +/- 2.24   4.378% *  0.1042% (0.15   0.02   0.02) =   0.030%
          QB    ALA   12 - HE3   TRP   27  16.97 +/- 2.78   0.704% *  0.5709% (0.83   0.02   0.02) =   0.026%
          HG3   LYS+ 106 - HE3   TRP   27  16.30 +/- 2.55   0.676% *  0.5224% (0.76   0.02   0.02) =   0.023%
          HG    LEU   98 - HE3   TRP   27  12.11 +/- 3.23   3.156% *  0.0925% (0.13   0.02   0.02) =   0.019%
          HD3   LYS+ 121 - HE3   TRP   27  19.48 +/- 5.60   1.502% *  0.1900% (0.28   0.02   0.02) =   0.019%
          QB    ALA   84 - HE3   TRP   27  13.42 +/- 3.52   1.533% *  0.1353% (0.20   0.02   0.02) =   0.014%
          HB2   LYS+ 112 - HE3   TRP   27  21.81 +/- 3.48   0.327% *  0.5929% (0.86   0.02   0.02) =   0.013%
          HB3   LEU   73 - HN    LEU   67  11.77 +/- 1.33   1.652% *  0.1006% (0.15   0.02   0.02) =   0.011%
          HG3   LYS+  33 - HN    LEU   67  16.00 +/- 3.25   1.227% *  0.1061% (0.15   0.02   0.02) =   0.008%
          HB3   PRO   93 - HE3   TRP   27  16.84 +/- 2.39   0.762% *  0.1522% (0.22   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HN    LEU   67  11.45 +/- 2.57   3.054% *  0.0328% (0.05   0.02   0.02) =   0.007%
          HB2   LYS+ 112 - HN    LEU   67  18.14 +/- 3.36   0.925% *  0.0923% (0.13   0.02   0.02) =   0.006%
          QB    LEU   98 - HN    LEU   67  14.20 +/- 2.23   1.234% *  0.0602% (0.09   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    LEU   67  17.59 +/- 3.25   0.716% *  0.0888% (0.13   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LEU   67  17.51 +/- 3.00   0.687% *  0.0813% (0.12   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    LEU   67  16.12 +/- 3.95   1.173% *  0.0296% (0.04   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LEU   67  21.82 +/- 2.71   0.293% *  0.0982% (0.14   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    LEU   67  15.45 +/- 2.65   0.983% *  0.0237% (0.03   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LEU   67  15.91 +/- 2.47   0.983% *  0.0144% (0.02   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   67  17.05 +/- 1.94   0.619% *  0.0210% (0.03   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   67  18.43 +/- 2.48   0.516% *  0.0186% (0.03   0.02   0.02) =   0.001%
    Distance limit 5.05 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        :     75
      with multiple volume contributions     :    125
      eliminated by violation filter         :      7
 
    Peaks:
      selected                               :    240
      without assignment                     :     21
      with assignment                        :    219
      with unique assignment                 :    104
      with multiple assignment               :    115
      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: