- candid: assign gamma=0.5 ambiguity=20 support=0.02..10.0 transposed=1.0 observa
        ble=1.0 structure=0.4 smooth=1.0 modify volume=0.05 rsupport=0.5 tsupport=0
        .75 quality=0.2 violation=0.1
 
    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 = 0.946, support = 3.38, residual support = 46.0:
      O   HA    MET   11 - HN    MET   11   2.78 +/- 0.15  96.528% * 96.0368% (0.95   3.38  46.05) =  99.984%  kept
          HA    ALA   12 - HN    MET   11   5.12 +/- 0.53   3.430% *  0.4362% (0.73   0.02  12.68) =   0.016%
          HA    GLU-  14 - HN    MET   11  10.74 +/- 1.01   0.040% *  0.3643% (0.61   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  22.56 +/- 2.85   0.001% *  0.1854% (0.31   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  29.59 +/- 2.38   0.000% *  0.5545% (0.92   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  31.92 +/- 2.83   0.000% *  0.4591% (0.76   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  36.21 +/- 3.02   0.000% *  0.5211% (0.87   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  32.59 +/- 3.28   0.000% *  0.2254% (0.38   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.49 +/- 2.39   0.000% *  0.1498% (0.25   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  43.20 +/- 3.39   0.000% *  0.5211% (0.87   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  45.55 +/- 3.52   0.000% *  0.4126% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  38.99 +/- 3.03   0.000% *  0.1337% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.523, support = 2.92, residual support = 12.4:
      O   HA    ALA   12 - HN    ALA   12   2.75 +/- 0.19  41.104% * 58.8230% (0.71   2.38  12.19) =  51.268%  kept
      O   HA    MET   11 - HN    ALA   12   2.59 +/- 0.18  58.734% * 39.1286% (0.32   3.50  12.68) =  48.730%  kept
          HA    GLU-  14 - HN    ALA   12   7.63 +/- 0.86   0.162% *  0.4982% (0.72   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   12  26.59 +/- 2.00   0.000% *  0.2053% (0.30   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  29.78 +/- 2.15   0.000% *  0.3816% (0.55   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  29.21 +/- 2.48   0.000% *  0.1245% (0.18   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  33.46 +/- 2.47   0.000% *  0.1703% (0.25   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  43.15 +/- 2.98   0.000% *  0.4982% (0.72   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  40.73 +/- 2.81   0.000% *  0.1703% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.135, support = 1.7, residual support = 5.09:
      O   HA    ALA   12 - HN    SER   13   2.44 +/- 0.18  96.568% * 82.8693% (0.14   1.70   5.09) =  99.939%  kept
          HA    GLU-  14 - HN    SER   13   4.40 +/- 0.41   3.432% *  1.4217% (0.20   0.02   6.70) =   0.061%
          HA    PHE   59 - HN    SER   13  24.58 +/- 1.18   0.000% *  3.7795% (0.53   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  27.62 +/- 1.62   0.000% *  3.7795% (0.53   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  39.39 +/- 2.57   0.000% *  7.0415% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  40.17 +/- 2.75   0.000% *  1.1084% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 7.07:
      O   QB    SER   13 - HN    SER   13   2.80 +/- 0.29  99.991% * 95.3779% (0.87   2.06   7.07) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  16.10 +/- 2.54   0.005% *  1.0487% (0.98   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  16.44 +/- 2.35   0.004% *  0.9595% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  28.67 +/- 1.24   0.000% *  0.9595% (0.90   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  35.89 +/- 2.45   0.000% *  1.0487% (0.98   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  33.67 +/- 2.86   0.000% *  0.6057% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 50.9:
      O   HA    GLN   17 - HN    VAL   18   2.41 +/- 0.01  99.847% * 98.3719% (0.81   5.47  50.94) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.43 +/- 0.31   0.120% *  0.1073% (0.24   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  11.57 +/- 0.33   0.008% *  0.3973% (0.89   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  10.59 +/- 0.62   0.015% *  0.0958% (0.21   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  12.90 +/- 1.43   0.006% *  0.1073% (0.24   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  14.83 +/- 0.75   0.002% *  0.3289% (0.74   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  18.49 +/- 0.96   0.001% *  0.3595% (0.81   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  16.68 +/- 0.59   0.001% *  0.1468% (0.33   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  23.09 +/- 0.71   0.000% *  0.0852% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.362, support = 5.7, residual support = 78.3:
      O   HA    VAL   18 - HN    VAL   18   2.83 +/- 0.01  99.240% * 96.1586% (0.36   5.70  78.31) =  99.997%  kept
          HA1   GLY   16 - HN    VAL   18   6.46 +/- 0.03   0.709% *  0.4033% (0.43   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    VAL   18  10.42 +/- 0.56   0.042% *  0.7804% (0.84   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  16.27 +/- 0.87   0.003% *  0.7204% (0.77   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  16.34 +/- 0.51   0.003% *  0.5093% (0.55   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  18.68 +/- 0.52   0.001% *  0.7804% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  17.39 +/- 0.38   0.002% *  0.3699% (0.40   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  26.35 +/- 0.98   0.000% *  0.2777% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 2.12, residual support = 6.7:
      O   HA    SER   13 - HN    GLU-  14   2.49 +/- 0.21  99.210% * 94.8267% (0.67   2.12   6.70) =  99.993%  kept
          HA    GLU-  15 - HN    GLU-  14   5.77 +/- 0.33   0.757% *  0.8957% (0.67   0.02   0.80) =   0.007%
          HA    GLN   17 - HN    GLU-  14  10.37 +/- 0.81   0.027% *  0.6739% (0.51   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  15.21 +/- 2.19   0.003% *  0.6739% (0.51   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  17.65 +/- 1.48   0.001% *  0.7752% (0.58   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  21.60 +/- 1.11   0.000% *  0.8779% (0.66   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  18.86 +/- 1.37   0.001% *  0.1837% (0.14   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  25.53 +/- 1.57   0.000% *  0.7431% (0.56   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  23.06 +/- 1.45   0.000% *  0.2066% (0.16   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  25.69 +/- 1.02   0.000% *  0.1432% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 4.25, residual support = 18.2:
          HN    GLN   17 - HN    GLY   16   2.33 +/- 0.09  99.988% * 88.5364% (0.13   4.25  18.22) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  13.19 +/- 0.63   0.003% *  3.0539% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  11.85 +/- 1.34   0.008% *  0.4754% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  16.57 +/- 0.64   0.001% *  2.1165% (0.67   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  27.45 +/- 0.50   0.000% *  2.9735% (0.94   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  32.38 +/- 1.09   0.000% *  2.8443% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 4.25, residual support = 18.2:
        T HN    GLY   16 - HN    GLN   17   2.33 +/- 0.09 100.000% * 99.3142% (1.00   4.25  18.22) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  22.48 +/- 0.50   0.000% *  0.4204% (0.90   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  26.99 +/- 0.37   0.000% *  0.2654% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.475, support = 2.55, residual support = 7.49:
      O   HA    GLU-  15 - HN    GLY   16   2.62 +/- 0.17  97.472% * 92.4888% (0.47   2.55   7.49) =  99.959%  kept
          HA    GLN   17 - HN    GLY   16   4.91 +/- 0.08   2.413% *  1.4794% (0.97   0.02  18.22) =   0.040%
          HA    SER   13 - HN    GLY   16   8.68 +/- 0.40   0.083% *  0.7265% (0.47   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    GLY   16  12.44 +/- 0.86   0.010% *  1.0253% (0.67   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  13.59 +/- 1.30   0.006% *  1.4794% (0.97   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  12.01 +/- 1.18   0.013% *  0.4607% (0.30   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  15.64 +/- 0.75   0.002% *  0.6692% (0.44   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  20.21 +/- 0.49   0.000% *  1.4405% (0.94   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  22.18 +/- 0.66   0.000% *  0.2303% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.75, support = 0.0197, residual support = 0.0197:
          HA    VAL   18 - HN    GLY   16   6.58 +/- 0.13  52.590% * 12.6997% (0.90   0.02   0.02) =  69.088%  kept
          HA    VAL   70 - HN    GLY   16   6.82 +/- 1.06  45.929% *  6.1679% (0.44   0.02   0.02) =  29.304%  kept
          HA    LYS+  33 - HN    GLY   16  12.84 +/- 1.20   0.920% * 10.5138% (0.75   0.02   0.02) =   1.000%
          HA    GLU-  29 - HN    GLY   16  16.41 +/- 0.94   0.209% * 12.3380% (0.87   0.02   0.02) =   0.266%
          HA    GLN   32 - HN    GLY   16  16.00 +/- 1.17   0.239% *  9.4500% (0.67   0.02   0.02) =   0.234%
          HA    SER   48 - HN    GLY   16  21.55 +/- 0.78   0.044% * 12.6997% (0.90   0.02   0.02) =   0.057%
          HA    GLN  116 - HN    GLY   16  21.44 +/- 0.59   0.044% *  6.1679% (0.44   0.02   0.02) =   0.028%
          HD2   PRO   52 - HN    GLY   16  25.32 +/- 0.64   0.017% *  6.6964% (0.47   0.02   0.02) =   0.011%
          HB2   SER   82 - HN    GLY   16  30.06 +/- 0.65   0.006% * 13.2768% (0.94   0.02   0.02) =   0.008%
          HA    ALA   88 - HN    GLY   16  32.77 +/- 0.76   0.003% *  9.9899% (0.71   0.02   0.02) =   0.003%
    Distance limit 3.68 A violated in 20 structures by 2.15 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.948, support = 5.02, residual support = 77.0:
      O   HA    GLN   17 - HN    GLN   17   2.89 +/- 0.01  68.174% * 82.3078% (0.99   5.29  84.04) =  91.504%  kept
          HA    GLU-  15 - HN    GLN   17   3.31 +/- 0.23  31.725% * 16.4224% (0.49   2.15   0.63) =   8.496%  kept
          HA    SER   13 - HN    GLN   17   9.44 +/- 0.79   0.069% *  0.1529% (0.49   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.18 +/- 0.60   0.013% *  0.2158% (0.69   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  15.25 +/- 1.17   0.004% *  0.3114% (0.99   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  12.94 +/- 0.89   0.009% *  0.0970% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  14.07 +/- 0.69   0.005% *  0.1409% (0.45   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  18.48 +/- 0.50   0.001% *  0.3032% (0.97   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  20.52 +/- 0.61   0.001% *  0.0485% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.0:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 93.1582% (0.70   1.00  84.04) = 100.000%  kept
          HN    LEU  123 - HE22  GLN   17  22.35 +/- 0.90   0.000% *  1.6306% (0.61   0.02   0.02) =   0.000%
        T HE21  GLN   17 - HE22  GLN   32  22.89 +/- 1.89   0.000% *  1.0716% (0.40   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  24.79 +/- 0.93   0.000% *  1.7782% (0.67   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  24.16 +/- 0.82   0.000% *  0.2544% (0.10   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  30.41 +/- 0.45   0.000% *  0.9379% (0.35   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  32.78 +/- 0.46   0.000% *  1.0228% (0.38   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  32.23 +/- 0.52   0.000% *  0.1463% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.0:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 95.1713% (0.63   1.00  84.04) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  19.12 +/- 0.80   0.000% *  1.4579% (0.48   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  22.89 +/- 1.89   0.000% *  1.0331% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  25.42 +/- 1.25   0.000% *  1.5412% (0.51   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  31.55 +/- 1.92   0.000% *  0.7966% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 0.307, support = 3.54, residual support = 24.7:
      O   HA1   GLY   16 - HN    GLN   17   3.13 +/- 0.04  92.523% * 22.9076% (0.22   3.47  18.22) =  80.217%  kept
          HA    VAL   18 - HN    GLN   17   4.81 +/- 0.04   7.039% * 74.2232% (0.65   3.87  50.94) =  19.773%  kept
          HA    VAL   70 - HN    GLN   17   8.05 +/- 0.84   0.396% *  0.5924% (1.00   0.02   0.02) =   0.009%
          HA    LYS+  33 - HN    GLN   17  13.77 +/- 0.96   0.014% *  0.4959% (0.84   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   17  12.99 +/- 1.06   0.021% *  0.3124% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  16.34 +/- 0.76   0.005% *  0.4078% (0.69   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  20.82 +/- 0.49   0.001% *  0.5924% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  19.44 +/- 0.80   0.002% *  0.1322% (0.22   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  28.64 +/- 0.63   0.000% *  0.3361% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HN    ILE   19   3.53 +/- 0.20 100.000% *100.0000% (0.87   2.00   4.00) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.86, residual support = 23.6:
      O   HA    VAL   18 - HN    ILE   19   2.22 +/- 0.03  99.931% * 96.8834% (0.65   4.86  23.63) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   9.12 +/- 0.38   0.022% *  0.6151% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.25 +/- 0.31   0.038% *  0.1373% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  12.83 +/- 0.41   0.003% *  0.5149% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  13.13 +/- 0.33   0.002% *  0.4235% (0.69   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  13.80 +/- 0.91   0.002% *  0.3244% (0.53   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  14.89 +/- 0.68   0.001% *  0.1373% (0.22   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  19.94 +/- 0.40   0.000% *  0.6151% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  23.09 +/- 0.60   0.000% *  0.3490% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 6.47, residual support = 170.0:
      O   HA    ILE   19 - HN    ILE   19   2.89 +/- 0.02  99.974% * 99.1008% (0.87   6.47 170.04) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  12.35 +/- 0.32   0.017% *  0.1857% (0.53   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  15.76 +/- 0.58   0.004% *  0.3521% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  14.96 +/- 0.24   0.005% *  0.2283% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  22.07 +/- 0.74   0.001% *  0.0786% (0.22   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  24.10 +/- 0.27   0.000% *  0.0545% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.08 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   2.19 +/- 0.01  99.990% * 98.9668% (0.97   5.04  25.50) = 100.000%  kept
          HA    THR   26 - HN    ALA   20  10.70 +/- 0.31   0.007% *  0.1526% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.88 +/- 0.18   0.002% *  0.3256% (0.80   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  16.67 +/- 0.64   0.001% *  0.3986% (0.98   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  22.36 +/- 0.44   0.000% *  0.1014% (0.25   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.42 +/- 0.65   0.000% *  0.0550% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.90 +/- 0.02  99.882% * 99.6543% (0.97   3.14  15.24) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   8.98 +/- 0.38   0.118% *  0.3457% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 3.69, residual support = 9.82:
        T HN    LYS+  74 - HN    CYS   21   2.64 +/- 0.24  99.832% * 97.4634% (0.76   3.69   9.82) =  99.999%  kept
          HN    THR   46 - HN    CYS   21   8.32 +/- 0.30   0.114% *  0.6909% (1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    CYS   21  15.02 +/- 2.02   0.004% *  0.6535% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119   9.72 +/- 0.23   0.046% *  0.0544% (0.08   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  17.49 +/- 0.37   0.001% *  0.2183% (0.32   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  18.41 +/- 0.39   0.001% *  0.2065% (0.30   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  18.89 +/- 0.46   0.001% *  0.1668% (0.24   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  24.11 +/- 2.88   0.000% *  0.2840% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  21.98 +/- 0.36   0.000% *  0.1723% (0.25   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  33.92 +/- 1.95   0.000% *  0.0898% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.97, residual support = 16.0:
      O   HA    ALA   20 - HN    CYS   21   2.20 +/- 0.00  99.991% * 99.2635% (0.95   2.97  15.97) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.51 +/- 0.28   0.009% *  0.1575% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.57 +/- 0.53   0.000% *  0.2115% (0.30   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  21.29 +/- 0.46   0.000% *  0.2414% (0.34   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  17.53 +/- 0.50   0.000% *  0.0498% (0.07   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  18.83 +/- 0.30   0.000% *  0.0763% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 3.84, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.83 +/- 0.00  99.992% * 98.9887% (0.83   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.84 +/- 0.27   0.007% *  0.3880% (0.63   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  22.03 +/- 0.60   0.000% *  0.5296% (0.85   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  29.62 +/- 0.63   0.000% *  0.0936% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.5, residual support = 4.5:
          HA    PHE   59 - HN    ASP-  62   3.82 +/- 0.08  98.091% * 92.4913% (0.52   1.50   4.50) =  99.974%  kept
          HA    ILE   56 - HN    ASP-  62   7.49 +/- 0.10   1.750% *  1.2332% (0.52   0.02   0.02) =   0.024%
          HA    LEU  123 - HN    ASP-  62  11.80 +/- 0.54   0.120% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    ASP-  62  14.94 +/- 0.29   0.028% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  18.51 +/- 0.36   0.008% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  22.14 +/- 0.53   0.003% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  28.87 +/- 0.37   0.001% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.48, residual support = 23.7:
          HN    THR   23 - HN    HIS   22   2.43 +/- 0.15  99.906% * 97.3863% (0.69   3.48  23.66) =  99.999%  kept
          HE3   TRP   27 - HN    HIS   22   7.88 +/- 0.28   0.087% *  0.8136% (1.00   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    HIS   22  12.52 +/- 0.38   0.006% *  0.1428% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    HIS   22  17.70 +/- 0.50   0.001% *  0.5921% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  21.89 +/- 0.46   0.000% *  0.8136% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  19.60 +/- 0.37   0.000% *  0.2517% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 5.0:
          HA    ALA   20 - HN    HIS   22   5.62 +/- 0.08  99.505% * 62.6587% (0.95   0.02   5.01) =  99.881%  kept
          HA    LEU   71 - HN    HIS   22  13.70 +/- 0.25   0.479% * 14.7469% (0.22   0.02   0.02) =   0.113%
          HA    LYS+ 102 - HN    HIS   22  24.07 +/- 0.65   0.016% * 22.5944% (0.34   0.02   0.02) =   0.006%
    Distance limit 4.10 A violated in 20 structures by 1.52 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.86, residual support = 14.3:
        T HN    THR   26 - HN    THR   23   4.24 +/- 0.09  98.771% * 99.1356% (0.69   3.86  14.31) =  99.997%  kept
          HN    LEU   80 - HN    THR   23   9.00 +/- 0.40   1.142% *  0.2549% (0.34   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    THR   23  14.07 +/- 0.28   0.074% *  0.1864% (0.25   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  19.04 +/- 0.65   0.012% *  0.4231% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.48, residual support = 23.7:
        T HN    HIS   22 - HN    THR   23   2.43 +/- 0.15  99.465% * 99.4541% (0.99   3.48  23.66) =  99.997%  kept
          HN    ASP-  76 - HN    THR   23   6.17 +/- 0.44   0.535% *  0.5459% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.86, residual support = 39.6:
        T HN    GLU-  25 - HN    VAL   24   2.73 +/- 0.10  99.211% * 99.6374% (0.98   7.86  39.64) =  99.999%  kept
          HN    ASN   28 - HN    VAL   24   6.14 +/- 0.06   0.774% *  0.1063% (0.41   0.02  13.03) =   0.001%
          HN    ASP-  44 - HN    VAL   24  11.98 +/- 0.53   0.015% *  0.2563% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 7.86, residual support = 39.6:
        T HN    VAL   24 - HN    GLU-  25   2.73 +/- 0.10 100.000% *100.0000% (1.00   7.86  39.64) = 100.000%  kept
    Distance limit 3.54 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 = 5.3, residual support = 28.7:
        T HN    THR   26 - HN    GLU-  25   2.88 +/- 0.06  99.998% * 99.9398% (0.97   5.30  28.66) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  17.95 +/- 0.29   0.002% *  0.0602% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.98, support = 5.3, residual support = 28.7:
        T HN    GLU-  25 - HN    THR   26   2.88 +/- 0.06  89.840% * 99.4635% (0.98   5.30  28.66) =  99.982%  kept
          HN    ASN   28 - HN    THR   26   4.14 +/- 0.05  10.150% *  0.1573% (0.41   0.02   0.02) =   0.018%
          HN    ASP-  44 - HN    THR   26  13.29 +/- 0.50   0.010% *  0.3792% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 4.39, residual support = 19.8:
          HN    TRP   27 - HN    THR   26   2.62 +/- 0.08  99.994% * 98.4321% (0.99   4.39  19.80) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  17.58 +/- 1.32   0.001% *  0.2745% (0.61   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.28 +/- 0.12   0.003% *  0.1128% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  18.67 +/- 0.43   0.001% *  0.2928% (0.65   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  20.30 +/- 0.67   0.000% *  0.3459% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  21.22 +/- 0.64   0.000% *  0.3109% (0.69   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  21.55 +/- 1.80   0.000% *  0.1699% (0.38   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  21.47 +/- 1.09   0.000% *  0.0612% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.965, support = 3.86, residual support = 14.3:
          HN    THR   23 - HN    THR   26   4.24 +/- 0.09  95.686% * 97.8410% (0.97   3.86  14.31) =  99.989%  kept
          HE3   TRP   27 - HN    THR   26   8.02 +/- 0.06   2.107% *  0.2556% (0.49   0.02  19.80) =   0.006%
          HD2   HIS   22 - HN    THR   26   8.04 +/- 0.34   2.109% *  0.2354% (0.45   0.02   0.02) =   0.005%
          HD21  ASN   35 - HN    THR   26  14.44 +/- 1.09   0.069% *  0.0711% (0.14   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    THR   26  19.96 +/- 0.53   0.009% *  0.4967% (0.95   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  19.01 +/- 1.37   0.013% *  0.3184% (0.61   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  22.44 +/- 0.38   0.004% *  0.4847% (0.92   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  25.45 +/- 0.48   0.002% *  0.2972% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.77, support = 3.65, residual support = 27.4:
          HN    THR   23 - HN    TRP   27   4.03 +/- 0.10  85.778% * 30.2163% (0.69   3.16   2.32) =  73.257%  kept
          HE3   TRP   27 - HN    TRP   27   5.47 +/- 0.03  13.706% * 69.0362% (1.00   4.98  95.94) =  26.743%  kept
          QE    PHE   95 - HN    ALA   91  11.32 +/- 0.21   0.176% *  0.0249% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    TRP   27  13.26 +/- 0.26   0.068% *  0.0487% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  17.93 +/- 0.45   0.011% *  0.2019% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  14.18 +/- 0.98   0.050% *  0.0343% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  11.71 +/- 0.89   0.171% *  0.0060% (0.02   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  16.55 +/- 0.82   0.019% *  0.0343% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.72 +/- 0.38   0.002% *  0.2774% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  20.07 +/- 0.36   0.006% *  0.0858% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  17.64 +/- 0.60   0.012% *  0.0236% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  25.41 +/- 0.39   0.001% *  0.0106% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.39, residual support = 19.8:
        T HN    THR   26 - HN    TRP   27   2.62 +/- 0.08  99.995% * 99.8620% (0.97   4.39  19.80) = 100.000%  kept
          HN    LEU   71 - HN    TRP   27  14.14 +/- 0.31   0.004% *  0.0728% (0.15   0.02   0.02) =   0.000%
        T HN    THR   26 - HN    ALA   91  20.30 +/- 0.67   0.000% *  0.0562% (0.12   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  24.69 +/- 0.58   0.000% *  0.0090% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.76, residual support = 32.9:
        T HN    GLN   90 - HN    ALA   91   2.22 +/- 0.29  99.977% * 93.1413% (0.12   6.76  32.93) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91   9.82 +/- 0.33   0.016% *  0.1532% (0.07   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  14.18 +/- 0.28   0.002% *  0.5246% (0.22   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  19.70 +/- 0.81   0.000% *  2.3563% (1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  19.67 +/- 0.73   0.000% *  2.2290% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  19.80 +/- 0.49   0.000% *  1.2397% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.68 +/- 0.63   0.004% *  0.0648% (0.03   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  23.74 +/- 1.09   0.000% *  0.2912% (0.12   0.02   0.02) =   0.000%
    Distance limit 5.01 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 = 0.991, support = 5.17, residual support = 49.3:
        T HN    ASN   28 - HN    TRP   27   2.72 +/- 0.06  91.453% * 99.3975% (0.99   5.17  49.28) =  99.986%  kept
          HN    GLU-  25 - HN    TRP   27   4.05 +/- 0.08   8.517% *  0.1456% (0.38   0.02   0.02) =   0.014%
          HN    ASP-  44 - HN    TRP   27  10.85 +/- 0.43   0.024% *  0.1595% (0.41   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  20.03 +/- 0.26   0.001% *  0.1888% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  14.51 +/- 0.51   0.004% *  0.0197% (0.05   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  20.27 +/- 0.84   0.001% *  0.0475% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  18.70 +/- 0.76   0.001% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  28.76 +/- 0.51   0.000% *  0.0233% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.01, residual support = 95.9:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.743% * 96.5558% (0.76   2.01  95.94) =  99.997%  kept
          HE21  GLN   30 - HE1   TRP   27   7.54 +/- 1.24   0.255% *  1.2479% (0.99   0.02   0.02) =   0.003%
          QD    PHE   59 - HE1   TRP   27  17.46 +/- 0.62   0.001% *  0.9622% (0.76   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  21.68 +/- 1.10   0.000% *  1.2341% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 1.49, residual support = 95.9:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.997% * 98.5660% (0.45   1.49  95.94) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  16.60 +/- 0.21   0.003% *  1.4340% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.98, support = 5.6, residual support = 32.5:
          HN    GLU-  29 - HN    ASN   28   2.64 +/- 0.06  94.600% * 99.2184% (0.98   5.60  32.51) =  99.983%  kept
          HN    GLN   30 - HN    ASN   28   4.28 +/- 0.10   5.396% *  0.2895% (0.80   0.02   6.85) =   0.017%
          HN    ASP-  86 - HN    ASN   28  18.97 +/- 0.60   0.001% *  0.3137% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.26 +/- 0.20   0.002% *  0.0489% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  19.28 +/- 2.44   0.001% *  0.0805% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  20.31 +/- 1.81   0.001% *  0.0489% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.17, residual support = 49.3:
          HN    TRP   27 - HN    ASN   28   2.72 +/- 0.06  99.977% * 98.6659% (0.99   5.17  49.28) = 100.000%  kept
          HN    GLU-  36 - HN    ASN   28  11.85 +/- 0.14   0.015% *  0.0960% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  15.25 +/- 0.43   0.003% *  0.2491% (0.65   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   28  17.44 +/- 1.05   0.002% *  0.2336% (0.61   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  20.27 +/- 0.84   0.001% *  0.2943% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  20.23 +/- 0.52   0.001% *  0.2645% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  17.41 +/- 1.09   0.002% *  0.0521% (0.14   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  20.86 +/- 1.75   0.001% *  0.1445% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.411, support = 5.36, residual support = 49.3:
          HD1   TRP   27 - HN    ASN   28   1.89 +/- 0.03  99.717% * 98.1324% (0.41   5.36  49.28) =  99.998%  kept
          HE21  GLN   30 - HN    ASN   28   5.51 +/- 1.29   0.283% *  0.6802% (0.76   0.02   6.85) =   0.002%
          QD    PHE   59 - HN    ASN   28  19.11 +/- 0.76   0.000% *  0.3659% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  22.86 +/- 0.91   0.000% *  0.8216% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.42, residual support = 102.4:
          HD22  ASN   28 - HN    ASN   28   4.58 +/- 0.04  99.918% * 99.9300% (0.92   5.42 102.44) = 100.000%  kept
          QE    PHE   72 - HN    ASN   28  14.97 +/- 0.20   0.082% *  0.0700% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.07 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 = 2.63, residual support = 102.4:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.6537% (0.98   2.63 102.44) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  15.13 +/- 0.19   0.000% *  0.3463% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.54 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 = 0.998, support = 1.39, residual support = 3.97:
          HA    GLU-  25 - HD21  ASN   28   4.58 +/- 0.09  99.808% * 96.8782% (1.00   1.39   3.97) =  99.998%  kept
          HA    ILE   19 - HD21  ASN   28  13.61 +/- 0.13   0.147% *  1.3194% (0.95   0.02   0.02) =   0.002%
          HA    SER   82 - HD21  ASN   28  17.35 +/- 0.75   0.036% *  0.7896% (0.57   0.02   0.02) =   0.000%
          HA    CYS   53 - HD21  ASN   28  21.49 +/- 0.52   0.010% *  1.0128% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 3 structures by 0.04 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 6.03, residual support = 102.4:
      O   HA    ASN   28 - HN    ASN   28   2.75 +/- 0.02  91.752% * 98.0713% (0.84   6.03 102.44) =  99.977%  kept
          HA    THR   26 - HN    ASN   28   4.12 +/- 0.07   8.230% *  0.2518% (0.65   0.02   0.02) =   0.023%
          HA    ALA   34 - HN    ASN   28  12.08 +/- 0.20   0.013% *  0.3757% (0.97   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  15.09 +/- 1.92   0.004% *  0.3884% (1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  23.92 +/- 0.52   0.000% *  0.3377% (0.87   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  27.37 +/- 0.86   0.000% *  0.3682% (0.95   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  23.42 +/- 0.40   0.000% *  0.1201% (0.31   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  31.12 +/- 0.63   0.000% *  0.0867% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.922, support = 4.61, residual support = 91.8:
      O   HA    TRP   27 - HN    TRP   27   2.76 +/- 0.02  56.711% * 92.5031% (0.97   4.69  95.94) =  94.973%  kept
      O   HA    ALA   91 - HN    ALA   91   2.88 +/- 0.01  43.271% *  6.4171% (0.10   3.17  14.22) =   5.027%  kept
          HA    PRO   52 - HN    ALA   91  11.88 +/- 1.32   0.012% *  0.0347% (0.08   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.21 +/- 1.64   0.001% *  0.3274% (0.80   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.65 +/- 0.61   0.000% *  0.2645% (0.65   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.80 +/- 0.36   0.002% *  0.0327% (0.08   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.39 +/- 0.55   0.000% *  0.2809% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  14.34 +/- 0.37   0.003% *  0.0100% (0.02   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.72 +/- 0.67   0.000% *  0.0488% (0.12   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  25.73 +/- 0.40   0.000% *  0.0809% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 3.32, residual support = 19.8:
          HB    THR   26 - HN    TRP   27   2.92 +/- 0.10  99.984% * 98.6684% (0.99   3.32  19.80) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  16.73 +/- 0.29   0.003% *  0.1051% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  22.31 +/- 0.51   0.001% *  0.5790% (0.97   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  13.47 +/- 0.63   0.011% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  20.48 +/- 0.57   0.001% *  0.0735% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  29.10 +/- 0.55   0.000% *  0.4357% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  23.57 +/- 0.40   0.000% *  0.0715% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  24.18 +/- 0.30   0.000% *  0.0538% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.58 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  24.22 +/- 0.60 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.60 A violated in 20 structures by 19.62 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.221, support = 4.25, residual support = 28.4:
      O   HB    THR   26 - HN    THR   26   2.13 +/- 0.03  96.068% * 17.1614% (0.15   4.05  28.40) =  83.683%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.01   3.928% * 81.8491% (0.57   5.27  28.66) =  16.317%  kept
          HA    ILE   19 - HN    THR   26  11.86 +/- 0.18   0.003% *  0.1873% (0.34   0.02   0.02) =   0.000%
          HA    SER   82 - HN    THR   26  16.09 +/- 0.37   0.001% *  0.5479% (1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  21.88 +/- 0.67   0.000% *  0.0847% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  24.57 +/- 0.58   0.000% *  0.1695% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.676, support = 3.15, residual support = 6.56:
          HB    THR   23 - HN    GLU-  25   3.05 +/- 0.34  82.276% * 30.0127% (0.53   2.92   6.56) =  67.030%  kept
          HA    THR   23 - HN    GLU-  25   4.00 +/- 0.12  17.541% * 69.2412% (0.98   3.62   6.56) =  32.969%  kept
          HA    LEU   80 - HN    GLU-  25   8.75 +/- 0.32   0.169% *  0.2682% (0.69   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    GLU-  25  13.19 +/- 0.26   0.014% *  0.3693% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  23.98 +/- 0.66   0.000% *  0.1085% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 127.3:
      O   HA    GLU-  25 - HN    GLU-  25   2.72 +/- 0.03  99.987% * 99.2679% (0.87   6.00 127.33) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  13.66 +/- 0.39   0.006% *  0.3422% (0.90   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.89 +/- 0.20   0.006% *  0.2468% (0.65   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  21.57 +/- 0.62   0.000% *  0.1432% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.726, support = 5.19, residual support = 25.5:
      O   HA    THR   23 - HN    VAL   24   2.20 +/- 0.05  93.355% * 99.1036% (0.73   5.19  25.46) =  99.991%  kept
          HB    THR   23 - HN    VAL   24   3.44 +/- 0.10   6.508% *  0.1171% (0.22   0.02  25.46) =   0.008%
          HA    LEU   80 - HN    VAL   24   6.72 +/- 0.28   0.121% *  0.1795% (0.34   0.02   2.25) =   0.000%
          HA    ASP-  78 - HN    VAL   24  10.61 +/- 0.24   0.008% *  0.5077% (0.97   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  10.68 +/- 0.44   0.008% *  0.0921% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.73, support = 3.38, residual support = 19.3:
      O   HA    THR   23 - HN    THR   23   2.88 +/- 0.05  82.176% * 31.7606% (0.61   3.09  19.35) =  68.544%  kept
      O   HB    THR   23 - HN    THR   23   3.73 +/- 0.07  17.744% * 67.5023% (1.00   4.00  19.35) =  31.455%  kept
          HA    LEU   80 - HN    THR   23   9.53 +/- 0.43   0.065% *  0.3202% (0.95   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    THR   23  12.06 +/- 0.41   0.016% *  0.1045% (0.31   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  23.42 +/- 0.66   0.000% *  0.3125% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.715, support = 0.0197, residual support = 0.0197:
          HA    ALA   20 - HN    THR   23   7.02 +/- 0.12  98.632% * 46.5057% (0.73   0.02   0.02) =  98.430%  kept
          HA    LEU   71 - HN    THR   23  14.34 +/- 0.23   1.368% * 53.4943% (0.84   0.02   0.02) =   1.570%
    Distance limit 4.15 A violated in 20 structures by 2.87 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.25, residual support = 14.3:
          HB    THR   26 - HN    THR   23   3.21 +/- 0.14  99.989% * 98.3538% (0.99   2.25  14.31) = 100.000%  kept
          HA    SER   82 - HN    THR   23  15.26 +/- 0.39   0.009% *  0.1545% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  21.76 +/- 0.67   0.001% *  0.8513% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  29.58 +/- 0.65   0.000% *  0.6405% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.63, residual support = 102.4:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.999% * 98.3251% (0.98   2.63 102.44) = 100.000%  kept
          QE    PHE   60 - HD22  ASN   28  14.18 +/- 0.40   0.000% *  0.3710% (0.49   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HD22  ASN   28  16.89 +/- 1.77   0.000% *  0.7554% (0.99   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  22.17 +/- 0.43   0.000% *  0.3133% (0.41   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  24.01 +/- 0.42   0.000% *  0.2352% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 5.6, residual support = 32.5:
        T HN    ASN   28 - HN    GLU-  29   2.64 +/- 0.06  99.516% * 99.2170% (0.76   5.60  32.51) =  99.998%  kept
          HN    GLU-  25 - HN    GLU-  29   6.44 +/- 0.11   0.477% *  0.3368% (0.73   0.02   0.02) =   0.002%
          HN    ASP-  44 - HN    GLU-  29  13.05 +/- 0.32   0.007% *  0.3544% (0.76   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  19.51 +/- 0.33   0.001% *  0.0918% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 6.96, residual support = 43.6:
        T HN    LEU   31 - HN    GLN   30   2.36 +/- 0.04  99.995% * 98.9609% (0.73   6.96  43.56) = 100.000%  kept
          HN    LEU   31 - HN    LYS+  99  13.09 +/- 0.50   0.004% *  0.0187% (0.05   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  20.64 +/- 0.58   0.000% *  0.2532% (0.65   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   30  25.17 +/- 0.42   0.000% *  0.3777% (0.97   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  24.95 +/- 0.62   0.000% *  0.2059% (0.53   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  24.35 +/- 0.44   0.000% *  0.1208% (0.31   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.95 +/- 0.34   0.000% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.93 +/- 0.35   0.000% *  0.0248% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.69 +/- 0.35   0.000% *  0.0079% (0.02   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  28.45 +/- 0.55   0.000% *  0.0135% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 5.73, residual support = 45.2:
        T HN    LEU   31 - HN    GLN   32   2.88 +/- 0.04  99.855% * 99.0390% (0.98   5.73  45.15) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.58 +/- 0.22   0.144% *  0.0785% (0.22   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  22.61 +/- 0.50   0.000% *  0.3336% (0.95   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.16 +/- 0.39   0.000% *  0.2281% (0.65   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  27.68 +/- 0.37   0.000% *  0.2422% (0.69   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  26.58 +/- 0.85   0.000% *  0.0785% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 44.9:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 94.7686% (0.87   1.00  44.89) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  22.27 +/- 1.81   0.000% *  2.1418% (0.98   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  25.92 +/- 0.57   0.000% *  0.6744% (0.31   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  34.75 +/- 2.30   0.000% *  1.6699% (0.76   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  35.78 +/- 0.92   0.000% *  0.7453% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 44.9:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.996% * 88.5613% (0.83   1.00  44.89) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90  11.38 +/- 1.89   0.003% *  0.8010% (0.38   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  17.65 +/- 1.73   0.000% *  0.5868% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  18.37 +/- 1.52   0.000% *  0.8010% (0.38   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  15.00 +/- 0.67   0.000% *  0.1542% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  25.68 +/- 1.47   0.000% *  2.1018% (0.99   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  27.05 +/- 0.49   0.000% *  1.2862% (0.61   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  21.09 +/- 1.42   0.000% *  0.1846% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  31.20 +/- 0.93   0.000% *  2.1018% (0.99   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  22.27 +/- 1.81   0.000% *  0.2124% (0.10   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  26.44 +/- 1.31   0.000% *  0.4902% (0.23   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  31.99 +/- 0.64   0.000% *  1.5398% (0.73   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  25.82 +/- 1.10   0.000% *  0.2520% (0.12   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  28.53 +/- 1.69   0.000% *  0.2520% (0.12   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  34.75 +/- 2.30   0.000% *  0.6750% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.897, support = 5.3, residual support = 46.1:
          HN    GLU-  36 - HN    ASN   35   2.55 +/- 0.10  99.117% * 98.6560% (0.90   5.30  46.13) =  99.996%  kept
          HN    THR   39 - HN    ASN   35   5.65 +/- 0.20   0.846% *  0.4007% (0.97   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HN    ASN   35  10.19 +/- 0.98   0.029% *  0.3015% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.21 +/- 0.25   0.008% *  0.1707% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  24.97 +/- 0.91   0.000% *  0.4070% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  26.62 +/- 1.04   0.000% *  0.0641% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 54.4:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99   2.00  54.36) = 100.000%  kept
    Distance limit 2.68 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 = 4.26, residual support = 54.4:
      O   HA    ASN   35 - HN    ASN   35   2.81 +/- 0.03  99.537% * 97.7081% (0.98   4.26  54.36) =  99.998%  kept
          HA    LYS+  99 - HN    ASN   35   7.57 +/- 0.34   0.273% *  0.4197% (0.90   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    ASN   35   8.14 +/- 0.40   0.178% *  0.2278% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  13.74 +/- 1.38   0.009% *  0.1445% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  18.06 +/- 2.55   0.002% *  0.1445% (0.31   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  23.04 +/- 0.53   0.000% *  0.4670% (1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  24.55 +/- 0.44   0.000% *  0.4639% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  24.16 +/- 0.49   0.000% *  0.1596% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.52 +/- 0.70   0.000% *  0.2650% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 2.51, residual support = 157.9:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.948% * 97.6525% (0.90   2.51 157.94) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   6.25 +/- 0.60   0.051% *  0.8590% (0.99   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  15.75 +/- 0.96   0.000% *  0.8590% (0.99   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  22.51 +/- 1.21   0.000% *  0.6294% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 2.51, residual support = 157.9:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00 100.000% * 99.0328% (0.92   2.51 157.94) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  16.74 +/- 1.37   0.000% *  0.5179% (0.61   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  19.48 +/- 0.63   0.000% *  0.4493% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.116, support = 0.0167, residual support = 0.0167:
          HA    VAL   42 - HN    GLN   30  12.44 +/- 0.27   6.432% *  6.4793% (0.25   0.02   0.02) =  43.836%  kept
          HA    VAL   42 - HN    LYS+  99   8.01 +/- 0.28  88.760% *  0.4257% (0.02   0.02   0.02) =  39.741%  kept
          HA    ALA  110 - HN    GLN   30  23.17 +/- 0.26   0.154% * 25.9267% (1.00   0.02   0.02) =   4.206%
          HA    GLN   90 - HN    GLN   30  23.08 +/- 0.47   0.159% * 25.0767% (0.97   0.02   0.02) =   4.184%
          HA    VAL  107 - HN    LYS+  99  13.91 +/- 0.14   3.256% *  0.5823% (0.02   0.02   0.02) =   1.994%
          HA    VAL  107 - HN    GLN   30  22.10 +/- 0.38   0.204% *  8.8635% (0.34   0.02   0.02) =   1.906%
          HA    PHE   55 - HN    GLN   30  26.43 +/- 0.46   0.070% * 21.7040% (0.84   0.02   0.02) =   1.598%
          HA    ALA   91 - HN    GLN   30  21.76 +/- 1.44   0.240% *  5.7850% (0.22   0.02   0.02) =   1.461%
          HA    ALA  110 - HN    LYS+  99  19.55 +/- 0.25   0.426% *  1.7034% (0.07   0.02   0.02) =   0.763%
          HA    PHE   55 - HN    LYS+  99  25.23 +/- 0.34   0.092% *  1.4259% (0.05   0.02   0.02) =   0.138%
          HA    GLN   90 - HN    LYS+  99  26.66 +/- 0.65   0.067% *  1.6475% (0.06   0.02   0.02) =   0.116%
          HA    ALA   91 - HN    LYS+  99  23.56 +/- 0.25   0.139% *  0.3801% (0.01   0.02   0.02) =   0.055%
    Distance limit 4.62 A violated in 20 structures by 3.29 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.765, support = 4.99, residual support = 38.9:
          HN    ALA   34 - HN    LYS+  33   2.70 +/- 0.10  49.081% * 81.0497% (0.90   4.97  44.66) =  81.073%  kept
          HN    GLN   32 - HN    LYS+  33   2.68 +/- 0.08  50.918% * 18.2390% (0.20   5.07  14.34) =  18.927%  kept
          HN    LEU   80 - HN    LYS+  33  19.78 +/- 0.34   0.000% *  0.3509% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  26.94 +/- 0.54   0.000% *  0.3604% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 54.4:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 95.5852% (0.73   2.00  54.36) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  20.91 +/- 1.45   0.000% *  1.3134% (1.00   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  17.76 +/- 1.29   0.000% *  0.4490% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  20.43 +/- 0.98   0.000% *  0.9559% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  20.18 +/- 0.98   0.000% *  0.4063% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  29.12 +/- 1.47   0.000% *  1.2903% (0.98   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 5.3, residual support = 46.1:
        T HN    ASN   35 - HN    GLU-  36   2.55 +/- 0.10  99.986% * 99.7030% (0.99   5.30  46.13) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  11.30 +/- 0.50   0.014% *  0.0514% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  20.69 +/- 3.29   0.001% *  0.2456% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.332, support = 3.76, residual support = 15.9:
          HN    GLU-  36 - HN    SER   37   2.62 +/- 0.12  87.958% * 33.4792% (0.25   3.97  19.11) =  79.257%  kept
          HN    THR   39 - HN    SER   37   3.80 +/- 0.53  12.021% * 64.1146% (0.65   2.93   3.45) =  20.743%  kept
          HN    LYS+ 102 - HN    SER   37  11.16 +/- 1.17   0.019% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    SER   37  15.18 +/- 0.29   0.002% *  0.6700% (0.99   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  22.17 +/- 0.49   0.000% *  0.4644% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  28.57 +/- 0.84   0.000% *  0.4100% (0.61   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  29.80 +/- 0.95   0.000% *  0.5166% (0.76   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  30.64 +/- 1.56   0.000% *  0.2537% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.946, support = 5.62, residual support = 30.2:
          HN    THR   39 - HN    LYS+  38   2.78 +/- 0.25  85.258% * 98.6941% (0.95   5.62  30.23) =  99.963%  kept
          HN    GLU-  36 - HN    LYS+  38   3.79 +/- 0.14  14.667% *  0.2103% (0.57   0.02   0.63) =   0.037%
          HN    LYS+ 102 - HN    LYS+  38   9.29 +/- 1.30   0.072% *  0.1394% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  16.12 +/- 0.38   0.002% *  0.2838% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  21.90 +/- 0.54   0.000% *  0.1267% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  28.47 +/- 0.83   0.000% *  0.3428% (0.92   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  29.55 +/- 0.89   0.000% *  0.1527% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  30.24 +/- 1.43   0.000% *  0.0503% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 1 structures by 0.01 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.6, residual support = 43.8:
      O   HA    ASN   35 - HN    GLU-  36   3.64 +/- 0.01  88.322% * 54.7282% (0.38   4.70  46.13) =  91.315%  kept
          HA    SER   37 - HN    GLU-  36   5.15 +/- 0.11  11.037% * 41.6327% (0.38   3.58  19.11) =   8.680%  kept
          HA    LEU   40 - HN    GLU-  36   9.85 +/- 0.38   0.230% *  0.6202% (1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HN    GLU-  36   9.12 +/- 0.33   0.366% *  0.1547% (0.25   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    GLU-  36  14.56 +/- 1.40   0.027% *  0.5867% (0.95   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  18.12 +/- 2.79   0.010% *  0.5867% (0.95   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  18.24 +/- 0.75   0.006% *  0.2328% (0.38   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  26.31 +/- 0.49   0.001% *  0.5986% (0.97   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  24.57 +/- 0.58   0.001% *  0.3263% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  24.19 +/- 0.35   0.001% *  0.2781% (0.45   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  26.94 +/- 0.39   0.001% *  0.2550% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 5.47, residual support = 82.6:
      O   HA    GLU-  36 - HN    GLU-  36   2.78 +/- 0.04  99.999% * 99.2340% (0.69   5.47  82.59) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  21.59 +/- 0.48   0.000% *  0.3626% (0.69   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  27.68 +/- 0.46   0.000% *  0.2989% (0.57   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  26.77 +/- 0.64   0.000% *  0.1045% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 3.77, residual support = 25.9:
      O   HA    SER   37 - HN    SER   37   2.90 +/- 0.01  99.814% * 97.2897% (0.97   3.77  25.86) =  99.999%  kept
          HA    LEU   40 - HN    SER   37   8.59 +/- 0.34   0.152% *  0.2813% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  13.21 +/- 1.46   0.015% *  0.3882% (0.73   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.14 +/- 0.28   0.012% *  0.2397% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  16.68 +/- 2.77   0.005% *  0.3882% (0.73   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  17.03 +/- 0.84   0.003% *  0.5159% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.51 +/- 0.39   0.000% *  0.5299% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  25.37 +/- 0.51   0.000% *  0.3672% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 19.1:
      O   HA    GLU-  36 - HN    SER   37   3.51 +/- 0.06  99.997% * 98.3670% (0.34   4.29  19.11) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  19.74 +/- 0.46   0.003% *  1.2977% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  29.04 +/- 0.45   0.000% *  0.3353% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.29, residual support = 8.4:
      O   HA    SER   37 - HN    LYS+  38   3.47 +/- 0.01  98.667% * 96.3985% (0.73   4.29   8.40) =  99.993%  kept
          HA    LEU   40 - HN    LYS+  38   7.24 +/- 0.27   1.235% *  0.5175% (0.84   0.02   0.02) =   0.007%
          HA    GLU-  15 - HN    LYS+  38  14.08 +/- 1.56   0.030% *  0.5979% (0.97   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.38 +/- 0.23   0.049% *  0.1226% (0.20   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  17.88 +/- 2.68   0.009% *  0.5979% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  17.42 +/- 1.02   0.007% *  0.4499% (0.73   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  25.07 +/- 0.58   0.001% *  0.5861% (0.95   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.36 +/- 0.37   0.001% *  0.4961% (0.80   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  21.55 +/- 0.58   0.002% *  0.1379% (0.22   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  25.77 +/- 0.44   0.001% *  0.0956% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.632, residual support = 0.632:
          HA    GLU-  36 - HN    LYS+  38   4.16 +/- 0.09  99.985% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    LYS+  66 - HN    LYS+  38  19.27 +/- 0.64   0.010% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  38  23.48 +/- 0.66   0.003% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  29.33 +/- 0.60   0.001% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  28.68 +/- 0.50   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.9, residual support = 38.5:
      O   HA    THR   39 - HN    THR   39   2.75 +/- 0.04  99.980% * 97.1680% (1.00   3.90  38.48) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  11.76 +/- 0.46   0.017% *  0.3616% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  17.31 +/- 0.53   0.002% *  0.2620% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  21.07 +/- 3.17   0.001% *  0.2424% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  22.61 +/- 0.62   0.000% *  0.3805% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.61 +/- 0.55   0.000% *  0.4935% (0.99   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.40 +/- 0.52   0.000% *  0.3020% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  32.09 +/- 0.90   0.000% *  0.4881% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  33.01 +/- 0.41   0.000% *  0.3020% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 4.13, residual support = 24.5:
      O   HA    THR   39 - HN    LEU   40   2.59 +/- 0.24  99.962% * 97.3167% (1.00   4.13  24.53) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.11 +/- 0.19   0.033% *  0.3426% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.46 +/- 0.22   0.004% *  0.2482% (0.53   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.12 +/- 0.49   0.001% *  0.3605% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.66 +/- 2.38   0.000% *  0.2296% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  24.69 +/- 0.55   0.000% *  0.4676% (0.99   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  23.59 +/- 0.24   0.000% *  0.2861% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  29.05 +/- 0.57   0.000% *  0.4624% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  31.93 +/- 0.24   0.000% *  0.2861% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 1 structures by 0.02 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 108.9:
      O   HA    LEU   40 - HN    LEU   40   2.87 +/- 0.02  95.828% * 97.9667% (1.00   5.41 108.93) =  99.996%  kept
          HA    LYS+  99 - HN    LEU   40   5.00 +/- 0.20   3.541% *  0.0902% (0.25   0.02  15.55) =   0.003%
          HA    ASN   35 - HN    LEU   40   7.95 +/- 0.76   0.426% *  0.1358% (0.38   0.02   0.02) =   0.001%
          HA    SER   37 - HN    LEU   40   8.46 +/- 0.26   0.150% *  0.1358% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  11.45 +/- 1.22   0.031% *  0.3424% (0.95   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  12.93 +/- 0.73   0.012% *  0.1358% (0.38   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  16.47 +/- 1.57   0.003% *  0.3424% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  14.87 +/- 0.62   0.005% *  0.1904% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  19.26 +/- 0.42   0.001% *  0.3493% (0.97   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  20.28 +/- 0.44   0.001% *  0.1488% (0.41   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  21.02 +/- 0.29   0.001% *  0.1623% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 4.51, residual support = 71.8:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.01  99.990% * 97.4902% (0.22   4.51  71.80) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.15 +/- 0.15   0.008% *  1.4825% (0.76   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  18.73 +/- 0.70   0.002% *  0.2993% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  22.79 +/- 0.35   0.000% *  0.7280% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.99 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 = 1.0, support = 5.11, residual support = 21.1:
      O   HA    LEU   40 - HN    VAL   41   2.22 +/- 0.02  92.319% * 97.8469% (1.00   5.11  21.05) =  99.992%  kept
          HA    LYS+  99 - HN    VAL   41   3.44 +/- 0.28   7.588% *  0.0956% (0.25   0.02   0.02) =   0.008%
          HA    ASN   35 - HN    VAL   41   7.27 +/- 0.41   0.080% *  0.1438% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.80 +/- 0.36   0.007% *  0.1438% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  13.53 +/- 1.27   0.002% *  0.3625% (0.95   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  13.94 +/- 0.62   0.002% *  0.1438% (0.38   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  16.15 +/- 0.42   0.001% *  0.2016% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  18.44 +/- 0.30   0.000% *  0.3699% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  19.21 +/- 1.64   0.000% *  0.3625% (0.95   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.77 +/- 0.15   0.000% *  0.1718% (0.45   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  18.24 +/- 0.40   0.000% *  0.1576% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 5.63, residual support = 27.9:
        T HN    LEU   98 - HN    VAL   41   2.87 +/- 0.26 100.000% *100.0000% (0.97   5.63  27.91) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.27, residual support = 5.83:
          HA    PHE   72 - HN    VAL   42   2.49 +/- 0.29 100.000% *100.0000% (0.22   1.27   5.83) = 100.000%  kept
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.24, residual support = 24.2:
      O   HA    VAL   41 - HN    VAL   42   2.19 +/- 0.00  99.993% * 97.8307% (0.22   5.24  24.22) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.07 +/- 0.12   0.006% *  1.2814% (0.76   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  16.11 +/- 0.54   0.001% *  0.2587% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  19.91 +/- 0.21   0.000% *  0.6293% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 5.46, residual support = 87.7:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.925% * 98.7547% (0.87   5.46  87.70) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  10.51 +/- 0.52   0.049% *  0.1287% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.93 +/- 0.39   0.014% *  0.1287% (0.31   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  15.83 +/- 0.32   0.004% *  0.2360% (0.57   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.52 +/- 0.20   0.007% *  0.1039% (0.25   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  19.41 +/- 0.34   0.001% *  0.3616% (0.87   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  22.14 +/- 0.54   0.001% *  0.2864% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.05, residual support = 40.5:
      O   HA    VAL   42 - HN    VAL   43   2.24 +/- 0.04  99.985% * 98.8316% (1.00   5.05  40.47) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.19 +/- 0.10   0.007% *  0.2222% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.12 +/- 0.28   0.003% *  0.2539% (0.65   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  12.05 +/- 0.31   0.004% *  0.0979% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.75 +/- 0.36   0.001% *  0.2539% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  17.06 +/- 0.27   0.001% *  0.2065% (0.53   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  18.50 +/- 0.57   0.000% *  0.1339% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.278, support = 2.73, residual support = 5.98:
          HA    LYS+  74 - HN    ASP-  44   3.08 +/- 0.17  99.702% * 95.9740% (0.28   2.73   5.98) =  99.998%  kept
          HA    VAL   41 - HN    ASP-  44   8.35 +/- 0.13   0.265% *  0.5006% (0.20   0.02   0.02) =   0.001%
          HA    MET   92 - HN    ASP-  44  12.15 +/- 0.28   0.028% *  2.1944% (0.87   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    ASP-  44  15.93 +/- 0.27   0.005% *  1.3310% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.71, residual support = 15.2:
      O   HA    VAL   43 - HN    ASP-  44   2.19 +/- 0.01  99.978% * 99.0266% (0.87   3.71  15.18) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   9.62 +/- 0.23   0.014% *  0.2999% (0.49   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  10.89 +/- 0.52   0.007% *  0.2999% (0.49   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.49 +/- 0.28   0.001% *  0.3736% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 3.76, residual support = 34.9:
      O   HA    ASP-  44 - HN    ASP-  44   2.91 +/- 0.00  99.938% * 94.5107% (0.49   3.76  34.90) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  10.91 +/- 0.16   0.036% *  0.4240% (0.41   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.63 +/- 0.23   0.015% *  0.3184% (0.31   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  14.99 +/- 0.17   0.005% *  0.7085% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  17.75 +/- 1.63   0.003% *  1.0110% (0.98   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  23.41 +/- 2.35   0.001% *  1.0315% (1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  22.16 +/- 0.38   0.001% *  1.0292% (1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  19.88 +/- 0.28   0.001% *  0.4240% (0.41   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  26.42 +/- 2.19   0.000% *  0.5427% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.2:
        T HN    THR   94 - HN    PHE   45   2.99 +/- 0.13  99.940% * 99.2856% (0.84   3.30  27.23) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  10.36 +/- 0.30   0.060% *  0.7144% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.91, residual support = 77.1:
          QD    PHE   45 - HN    PHE   45   2.68 +/- 0.15  99.992% * 98.3329% (0.53   4.91  77.07) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.62 +/- 0.34   0.006% *  0.7349% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  19.25 +/- 0.33   0.001% *  0.7204% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  19.49 +/- 1.20   0.001% *  0.2117% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   4.04 +/- 0.21 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.98, residual support = 77.1:
      O   HA    PHE   45 - HN    PHE   45   2.88 +/- 0.02  99.953% * 99.5659% (0.99   3.98  77.07) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  11.53 +/- 0.15   0.024% *  0.2658% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  11.85 +/- 0.18   0.021% *  0.0684% (0.14   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.13 +/- 0.30   0.002% *  0.1000% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 12.4:
      O   HA    ASP-  44 - HN    PHE   45   2.31 +/- 0.03  99.906% * 96.6728% (1.00   4.04  12.38) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   8.13 +/- 0.20   0.054% *  0.4741% (0.99   0.02  11.00) =   0.000%
          HA    ALA   57 - HN    PHE   45   8.95 +/- 0.34   0.031% *  0.0838% (0.18   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  13.27 +/- 0.18   0.003% *  0.4525% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  12.54 +/- 0.44   0.004% *  0.2901% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.23 +/- 0.67   0.002% *  0.1967% (0.41   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  17.38 +/- 0.28   0.001% *  0.4741% (0.99   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.28 +/- 0.20   0.000% *  0.2517% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  19.70 +/- 0.39   0.000% *  0.2145% (0.45   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  21.61 +/- 1.62   0.000% *  0.1795% (0.38   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.23 +/- 2.35   0.000% *  0.2328% (0.49   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  30.24 +/- 2.18   0.000% *  0.4773% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.42, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.11 +/- 0.09  99.907% * 94.4431% (0.22   4.42  12.49) =  99.999%  kept
          HD2   HIS  122 - HN    THR   46  17.24 +/- 0.30   0.019% *  1.8161% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    THR   46  14.64 +/- 0.91   0.054% *  0.2962% (0.15   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    THR   46  18.98 +/- 1.55   0.013% *  1.1644% (0.61   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  21.92 +/- 0.43   0.004% *  1.8528% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  23.86 +/- 0.81   0.003% *  0.4274% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.95:
          HA    ASP-  76 - HN    THR   46   3.10 +/- 0.27  99.998% * 98.8090% (0.53   2.74   3.95) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  19.31 +/- 0.30   0.002% *  1.1910% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.97, residual support = 12.5:
      O   HA    PHE   45 - HN    THR   46   2.20 +/- 0.00  99.959% * 99.5063% (0.76   3.97  12.49) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.34 +/- 0.18   0.034% *  0.2463% (0.38   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  11.14 +/- 0.59   0.006% *  0.1013% (0.15   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.35 +/- 0.15   0.001% *  0.1461% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 34.5:
      O   HA    THR   46 - HN    THR   46   2.92 +/- 0.01  99.854% * 96.4272% (0.57   3.25  34.52) =  99.999%  kept
          HA    VAL   42 - HN    THR   46  11.71 +/- 0.08   0.024% *  1.0460% (1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    THR   46  10.14 +/- 0.49   0.060% *  0.3576% (0.34   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  10.45 +/- 0.18   0.048% *  0.2614% (0.25   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  13.69 +/- 0.26   0.009% *  0.5515% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  15.53 +/- 0.59   0.005% *  0.6782% (0.65   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  24.45 +/- 0.48   0.000% *  0.6782% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 3.63, residual support = 12.3:
          HN    THR   77 - HN    THR   46   3.12 +/- 0.16 100.000% *100.0000% (1.00   3.63  12.28) = 100.000%  kept
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.868, support = 2.24, residual support = 10.2:
      O   HA    ALA   47 - HN    ALA   47   2.92 +/- 0.02  72.831% * 62.9830% (0.90   2.36  10.27) =  82.835%  kept
          HA    CYS   50 - HN    ALA   47   3.83 +/- 0.91  26.683% * 35.6178% (0.73   1.65   9.97) =  17.162%  kept
          HA    TRP   49 - HN    ALA   47   6.93 +/- 0.19   0.392% *  0.3126% (0.53   0.02  15.46) =   0.002%
          HA1   GLY  109 - HN    ALA   47   9.28 +/- 0.25   0.075% *  0.4082% (0.69   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    ALA   47  12.36 +/- 0.53   0.013% *  0.4758% (0.80   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  14.22 +/- 0.29   0.005% *  0.2027% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 12.7:
      O   HA    THR   46 - HN    ALA   47   2.39 +/- 0.01  99.883% * 96.2276% (0.57   3.07  12.66) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   7.85 +/- 0.56   0.087% *  0.3776% (0.34   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47   9.81 +/- 0.21   0.021% *  0.2760% (0.25   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  11.72 +/- 0.37   0.007% *  0.5823% (0.53   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.48 +/- 0.09   0.001% *  1.1044% (1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  18.15 +/- 0.73   0.001% *  0.7160% (0.65   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.73 +/- 0.51   0.000% *  0.7160% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.835, support = 4.42, residual support = 14.5:
        T HN    TRP   49 - HN    SER   48   2.58 +/- 0.14  90.803% * 99.3464% (0.84   4.42  14.47) =  99.967%  kept
          HN    CYS   50 - HN    SER   48   3.85 +/- 0.18   9.187% *  0.3261% (0.61   0.02   0.10) =   0.033%
          HN    VAL   83 - HN    SER   48  12.43 +/- 0.83   0.008% *  0.1064% (0.20   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  16.02 +/- 0.94   0.002% *  0.2210% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.897, support = 2.07, residual support = 6.13:
      O   HA    ALA   47 - HN    SER   48   2.35 +/- 0.06  98.634% * 96.7910% (0.90   2.07   6.13) =  99.991%  kept
          HA    TRP   49 - HN    SER   48   5.17 +/- 0.11   0.879% *  0.5480% (0.53   0.02  14.47) =   0.005%
          HA    CYS   50 - HN    SER   48   5.82 +/- 0.35   0.480% *  0.7563% (0.73   0.02   0.10) =   0.004%
          HA1   GLY  109 - HN    SER   48  13.40 +/- 0.28   0.003% *  0.7154% (0.69   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  13.14 +/- 0.54   0.003% *  0.3553% (0.34   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  16.25 +/- 0.56   0.001% *  0.8340% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.95, residual support = 86.6:
          HD1   TRP   49 - HN    TRP   49   2.70 +/- 0.49  99.962% * 98.3047% (0.92   4.95  86.62) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  13.18 +/- 0.38   0.012% *  0.2785% (0.65   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  15.19 +/- 0.91   0.005% *  0.3448% (0.80   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  14.79 +/- 0.44   0.006% *  0.2958% (0.69   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  13.70 +/- 0.59   0.011% *  0.1074% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  16.03 +/- 0.54   0.004% *  0.0852% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  23.68 +/- 0.42   0.000% *  0.4220% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  27.78 +/- 1.26   0.000% *  0.1616% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.42, residual support = 14.5:
        T HN    SER   48 - HN    TRP   49   2.58 +/- 0.14 100.000% *100.0000% (0.84   4.42  14.47) = 100.000%  kept
    Distance limit 3.91 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 = 0.943, support = 1.97, residual support = 5.61:
      O   HA    CYS   50 - HN    CYS   50   2.63 +/- 0.24  71.219% * 41.3660% (0.98   1.66   7.00) =  67.138%  kept
      O   HA    TRP   49 - HN    CYS   50   3.20 +/- 0.15  25.234% * 57.1050% (0.87   2.59   2.77) =  32.839%  kept
          HA    ALA   47 - HN    CYS   50   4.34 +/- 0.29   3.537% *  0.2878% (0.57   0.02   9.97) =   0.023%
          HA1   GLY  109 - HN    CYS   50  12.38 +/- 0.35   0.007% *  0.4906% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  15.73 +/- 0.60   0.002% *  0.3492% (0.69   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  15.87 +/- 0.46   0.002% *  0.2279% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  28.39 +/- 0.39   0.000% *  0.1734% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 0.831, support = 4.28, residual support = 77.6:
      O   HA    TRP   49 - HN    TRP   49   2.93 +/- 0.01  79.707% * 49.4741% (0.87   4.62  86.62) =  89.393%  kept
          HA    CYS   50 - HN    TRP   49   4.33 +/- 0.10   7.665% * 32.7005% (0.98   2.70   2.77) =   5.682%  kept
          HA    ALA   47 - HN    TRP   49   4.00 +/- 0.16  12.614% * 17.2222% (0.57   2.46  15.46) =   4.924%
          HA1   GLY  109 - HN    TRP   49  13.65 +/- 0.34   0.008% *  0.2384% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  15.45 +/- 0.48   0.004% *  0.1697% (0.69   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  16.98 +/- 0.44   0.002% *  0.1108% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  29.11 +/- 0.34   0.000% *  0.0843% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 2.29, residual support = 86.6:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.991% * 97.3257% (0.92   2.29  86.62) = 100.000%  kept
          HD2   HIS   22 - HE1   TRP   49  17.00 +/- 1.65   0.002% *  0.9125% (0.99   0.02   0.02) =   0.000%
          QE    PHE   95 - HE1   TRP   49  14.30 +/- 0.94   0.004% *  0.2050% (0.22   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  15.64 +/- 1.51   0.003% *  0.2296% (0.25   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  26.22 +/- 0.78   0.000% *  0.5584% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  28.05 +/- 1.69   0.000% *  0.7690% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.98, support = 1.39, residual support = 1.38:
      O   HA    CYS   50 - HN    GLY   51   2.59 +/- 0.29  99.043% * 94.6097% (0.98   1.39   1.38) =  99.989%  kept
          HA    TRP   49 - HN    GLY   51   6.09 +/- 0.45   0.650% *  1.2066% (0.87   0.02   0.02) =   0.008%
          HA    ALA   47 - HN    GLY   51   7.32 +/- 0.87   0.275% *  0.7876% (0.57   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    GLY   51  10.60 +/- 0.47   0.027% *  1.3425% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  14.60 +/- 0.54   0.004% *  0.6237% (0.45   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  18.99 +/- 0.86   0.001% *  0.9555% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  28.71 +/- 0.59   0.000% *  0.4745% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 3.24, residual support = 9.27:
      O   HA1   GLY   51 - HN    GLY   51   2.47 +/- 0.20  99.925% * 97.2379% (0.92   3.24   9.27) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51   9.80 +/- 0.63   0.035% *  0.6440% (0.99   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51   9.83 +/- 0.81   0.029% *  0.1806% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  14.16 +/- 0.79   0.003% *  0.4965% (0.76   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  12.94 +/- 0.67   0.006% *  0.1447% (0.22   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  16.04 +/- 1.03   0.001% *  0.1806% (0.28   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.22 +/- 0.74   0.000% *  0.2005% (0.31   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.78 +/- 0.55   0.000% *  0.2438% (0.38   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  29.41 +/- 0.68   0.000% *  0.5427% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  36.61 +/- 2.47   0.000% *  0.1286% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 5.19, residual support = 30.4:
        T HN    ARG+  54 - HN    CYS   53   2.74 +/- 0.03  99.993% * 99.1398% (0.98   5.19  30.38) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.63 +/- 0.15   0.007% *  0.2829% (0.73   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  23.77 +/- 0.50   0.000% *  0.2520% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.45 +/- 0.61   0.000% *  0.3254% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.19, residual support = 30.4:
        T HN    CYS   53 - HN    ARG+  54   2.74 +/- 0.03  99.990% * 99.1230% (0.85   5.19  30.38) = 100.000%  kept
          HN    LEU   80 - HN    ARG+  54  17.28 +/- 0.48   0.002% *  0.2924% (0.65   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    ASP-  62  13.63 +/- 0.15   0.007% *  0.0714% (0.16   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.65 +/- 0.57   0.000% *  0.1452% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  26.23 +/- 0.43   0.000% *  0.2410% (0.54   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  19.92 +/- 0.44   0.001% *  0.0451% (0.10   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  22.22 +/- 0.42   0.000% *  0.0547% (0.12   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  23.28 +/- 0.59   0.000% *  0.0272% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.209, support = 0.0191, residual support = 0.0191:
          HN    GLN   17 - HN    ASP-  62  11.74 +/- 0.57  68.003% *  4.3392% (0.10   0.02   0.02) =  49.646%  kept
          HD21  ASN   69 - HN    ASP-  62  13.86 +/- 0.88  26.316% *  5.8573% (0.14   0.02   0.02) =  25.934%  kept
          HN    TRP   87 - HN    ARG+  54  21.07 +/- 0.58   2.110% * 29.7440% (0.69   0.02   0.02) =  10.560%  kept
          HN    GLN   17 - HN    ARG+  54  20.44 +/- 0.64   2.461% * 23.1904% (0.54   0.02   0.02) =   9.604%  kept
          HD21  ASN   69 - HN    ARG+  54  24.99 +/- 0.76   0.743% * 31.3037% (0.72   0.02   0.02) =   3.914%
          HN    TRP   87 - HN    ASP-  62  28.12 +/- 0.25   0.366% *  5.5654% (0.13   0.02   0.02) =   0.343%
    Distance limit 4.09 A violated in 20 structures by 6.92 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.86, residual support = 16.1:
          HN    PHE   55 - HN    ILE   56   2.39 +/- 0.06  99.938% * 99.0981% (0.95   3.86  16.07) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.37 +/- 0.15   0.028% *  0.1677% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   9.06 +/- 0.04   0.034% *  0.0205% (0.04   0.02   5.10) =   0.000%
          HN    ALA   88 - HN    ILE   56  21.91 +/- 0.55   0.000% *  0.4714% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  23.19 +/- 0.37   0.000% *  0.2039% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  22.40 +/- 1.55   0.000% *  0.0089% (0.02   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  26.28 +/- 0.95   0.000% *  0.0223% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  30.27 +/- 0.58   0.000% *  0.0073% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 4.43, residual support = 25.1:
          HN    ALA   57 - HN    ILE   56   2.25 +/- 0.20  99.993% * 98.8491% (0.87   4.43  25.08) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  12.75 +/- 0.68   0.004% *  0.4118% (0.80   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  16.96 +/- 1.74   0.001% *  0.4612% (0.90   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  14.52 +/- 0.34   0.002% *  0.2114% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  15.83 +/- 1.28   0.001% *  0.0200% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  26.70 +/- 0.68   0.000% *  0.0194% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  32.41 +/- 1.62   0.000% *  0.0179% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  31.66 +/- 1.42   0.000% *  0.0092% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 4.96, residual support = 110.6:
      O   HA    ILE   56 - HN    ILE   56   2.93 +/- 0.01  99.275% * 85.1661% (0.15   4.96 110.61) =  99.983%  kept
          HA    PRO   58 - HN    ILE   56   7.07 +/- 0.22   0.513% *  2.1042% (0.95   0.02   0.18) =   0.013%
          HA    THR   46 - HN    ILE   56   8.30 +/- 0.34   0.199% *  1.7812% (0.80   0.02   0.02) =   0.004%
          HA    GLN   17 - HN    ILE   56  16.62 +/- 0.76   0.003% *  1.6152% (0.73   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  15.34 +/- 0.36   0.005% *  0.4402% (0.20   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  21.35 +/- 0.36   0.001% *  1.8580% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  22.01 +/- 0.61   0.001% *  2.1467% (0.97   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  18.98 +/- 0.37   0.001% *  0.4952% (0.22   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  27.47 +/- 1.58   0.000% *  2.1467% (0.97   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  29.48 +/- 0.57   0.000% *  1.6152% (0.73   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  18.46 +/- 0.57   0.002% *  0.0773% (0.03   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  26.80 +/- 0.81   0.000% *  0.0806% (0.04   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  22.55 +/- 0.72   0.000% *  0.0191% (0.01   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  30.28 +/- 0.53   0.000% *  0.0913% (0.04   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  33.17 +/- 1.31   0.000% *  0.0932% (0.04   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  31.76 +/- 0.75   0.000% *  0.0701% (0.03   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  31.93 +/- 1.42   0.000% *  0.0701% (0.03   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  26.13 +/- 0.95   0.000% *  0.0149% (0.01   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  38.78 +/- 2.06   0.000% *  0.0932% (0.04   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  36.03 +/- 1.05   0.000% *  0.0215% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 4.43, residual support = 25.1:
          HN    ILE   56 - HN    ALA   57   2.25 +/- 0.20  99.957% * 98.3307% (0.98   4.43  25.08) = 100.000%  kept
          HN    LEU   63 - HN    ALA   57   9.10 +/- 0.13   0.026% *  0.4179% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   57   9.78 +/- 0.17   0.016% *  0.4060% (0.90   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   57  21.63 +/- 0.38   0.000% *  0.4060% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  23.02 +/- 0.34   0.000% *  0.1397% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  30.25 +/- 0.83   0.000% *  0.2204% (0.49   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  26.70 +/- 0.68   0.000% *  0.0793% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.57, residual support = 17.0:
        T HN    PHE   60 - HN    PHE   59   2.87 +/- 0.07  99.832% * 98.9075% (0.47   4.57  17.00) = 100.000%  kept
          HN    GLN  116 - HN    PHE   59   8.83 +/- 0.30   0.121% *  0.1250% (0.14   0.02   0.02) =   0.000%
        T HN    THR  118 - HN    PHE   59  10.36 +/- 0.25   0.046% *  0.2679% (0.29   0.02   5.91) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  20.01 +/- 0.85   0.001% *  0.6996% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.359, support = 3.83, residual support = 45.7:
      O   HA    PHE   59 - HN    PHE   59   2.75 +/- 0.03  61.831% * 60.9531% (0.24   4.86  54.36) =  73.316%  kept
          HA    ILE   56 - HN    PHE   59   2.98 +/- 0.08  38.153% * 35.9527% (0.69   0.99  21.93) =  26.684%  kept
          HA    ASP- 113 - HN    PHE   59  11.65 +/- 0.30   0.011% *  0.7284% (0.69   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  14.14 +/- 0.41   0.003% *  0.6504% (0.62   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  20.35 +/- 0.32   0.000% *  0.8050% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  18.33 +/- 0.37   0.001% *  0.1607% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  24.18 +/- 0.48   0.000% *  0.7498% (0.71   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.21, residual support = 23.2:
      O   HA    ALA   57 - HN    ALA   57   2.85 +/- 0.01  99.869% * 96.4516% (0.76   4.21  23.21) =  99.999%  kept
          HA1   GLY   51 - HN    ALA   57   9.78 +/- 0.16   0.061% *  0.5872% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57   9.82 +/- 0.25   0.061% *  0.3152% (0.53   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  14.37 +/- 0.50   0.006% *  0.3633% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  18.16 +/- 0.77   0.002% *  0.5937% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.98 +/- 0.25   0.001% *  0.4350% (0.73   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  23.85 +/- 0.47   0.000% *  0.5990% (1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  22.99 +/- 0.51   0.000% *  0.3633% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  31.37 +/- 2.20   0.000% *  0.2916% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.991, support = 4.34, residual support = 25.1:
      O   HA    ILE   56 - HN    ALA   57   3.23 +/- 0.08  93.377% * 97.7766% (0.99   4.34  25.08) =  99.989%  kept
          HA    PRO   58 - HN    ALA   57   5.03 +/- 0.05   6.596% *  0.1552% (0.34   0.02  24.76) =   0.011%
          HA    ASP- 113 - HN    ALA   57  13.23 +/- 0.30   0.020% *  0.2576% (0.57   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  18.07 +/- 0.41   0.003% *  0.4540% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.63 +/- 0.34   0.001% *  0.4081% (0.90   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  20.74 +/- 0.34   0.001% *  0.2215% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  20.32 +/- 0.62   0.002% *  0.1404% (0.31   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  25.91 +/- 0.50   0.000% *  0.4460% (0.98   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  25.63 +/- 1.65   0.000% *  0.1404% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.607, support = 5.53, residual support = 41.2:
        T HN    PHE   60 - HN    ALA   61   2.56 +/- 0.09  99.982% * 99.0955% (0.61   5.53  41.18) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.66 +/- 0.20   0.007% *  0.2218% (0.38   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  16.01 +/- 0.86   0.002% *  0.5792% (0.98   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  12.17 +/- 0.24   0.009% *  0.1035% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.495, support = 4.05, residual support = 23.1:
          QD    PHE   60 - HN    ALA   61   4.50 +/- 0.06  35.003% * 66.6081% (0.57   4.77  41.18) =  54.543%  kept
          HN    PHE   59 - HN    ALA   61   4.12 +/- 0.11  59.923% * 32.3894% (0.41   3.19   1.33) =  45.406%  kept
          QE    PHE   59 - HN    ALA   61   6.79 +/- 0.46   3.232% *  0.3954% (0.80   0.02   1.33) =   0.030%
          HN    LYS+  66 - HN    ALA   61   7.35 +/- 0.11   1.840% *  0.4840% (0.98   0.02   0.02) =   0.021%
          HN    LYS+  81 - HN    ALA   61  22.65 +/- 1.01   0.002% *  0.1231% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.965, support = 1.23, residual support = 1.23:
          HA    PRO   58 - HN    ALA   61   3.34 +/- 0.19  97.613% * 91.3255% (0.97   1.23   1.23) =  99.983%  kept
          HA    ILE   56 - HN    ALA   61   6.44 +/- 0.19   2.031% *  0.6309% (0.41   0.02   0.02) =   0.014%
          HA    GLN   17 - HN    ALA   61   9.31 +/- 0.60   0.237% *  0.5759% (0.38   0.02   0.02) =   0.002%
          HA    THR   46 - HN    ALA   61  11.26 +/- 0.37   0.072% *  0.6880% (0.45   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ALA   61  14.86 +/- 0.62   0.014% *  1.4516% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   61  14.16 +/- 0.51   0.017% *  0.8074% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  16.24 +/- 0.32   0.008% *  1.5346% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  20.29 +/- 1.51   0.002% *  1.4516% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  18.48 +/- 0.35   0.004% *  0.3826% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  21.70 +/- 0.52   0.001% *  0.5759% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  23.47 +/- 0.66   0.001% *  0.5759% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 0.749, residual support = 0.748:
          HA    ALA   57 - HN    ALA   61   4.10 +/- 0.27  98.601% * 67.0724% (0.41   0.75   0.75) =  99.921%  kept
          HA    ASP-  44 - HN    ALA   61   8.54 +/- 0.20   1.273% *  3.7770% (0.87   0.02   0.02) =   0.073%
          HA1   GLY   51 - HN    ALA   61  15.16 +/- 0.26   0.040% *  3.1618% (0.73   0.02   0.02) =   0.002%
          HB    THR   77 - HN    ALA   61  16.53 +/- 0.37   0.024% *  4.0195% (0.92   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   61  18.21 +/- 0.26   0.014% *  4.2680% (0.98   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   61  18.95 +/- 0.81   0.011% *  3.9050% (0.90   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   61  18.81 +/- 0.57   0.011% *  3.6370% (0.84   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ALA   61  17.70 +/- 1.07   0.017% *  0.6718% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  25.76 +/- 0.44   0.002% *  4.0195% (0.92   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  26.18 +/- 1.97   0.002% *  3.6370% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  23.23 +/- 1.39   0.003% *  0.9694% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  28.95 +/- 0.25   0.001% *  0.8617% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.86, residual support = 42.5:
        T HN    ASP-  62 - HN    LEU   63   2.42 +/- 0.03  99.991% * 99.0581% (0.98   5.86  42.51) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  13.70 +/- 0.11   0.003% *  0.3184% (0.92   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  12.54 +/- 0.09   0.005% *  0.1294% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.12 +/- 0.49   0.000% *  0.3262% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  20.04 +/- 0.54   0.000% *  0.1679% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 6.84, residual support = 54.9:
        T HN    ALA   64 - HN    LEU   63   2.66 +/- 0.08 100.000% *100.0000% (0.97   6.84  54.88) = 100.000%  kept
    Distance limit 3.56 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 = 4.7, residual support = 27.8:
        T HN    LYS+  65 - HN    ALA   64   2.65 +/- 0.10 100.000% *100.0000% (0.97   4.70  27.83) = 100.000%  kept
    Distance limit 3.76 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 = 6.84, residual support = 54.9:
          HN    LEU   63 - HN    ALA   64   2.66 +/- 0.08  99.981% * 99.0074% (0.99   6.84  54.88) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  11.81 +/- 0.24   0.014% *  0.2762% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  14.32 +/- 0.40   0.004% *  0.1771% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  19.44 +/- 0.29   0.001% *  0.1771% (0.61   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  24.92 +/- 0.24   0.000% *  0.1771% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  23.47 +/- 0.53   0.000% *  0.0650% (0.22   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  29.02 +/- 0.59   0.000% *  0.1200% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 4.7, residual support = 27.8:
        T HN    ALA   64 - HN    LYS+  65   2.65 +/- 0.10 100.000% *100.0000% (0.67   4.70  27.83) = 100.000%  kept
    Distance limit 3.63 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 = 0.677, support = 6.21, residual support = 26.5:
          HN    LYS+  66 - HN    LYS+  65   2.49 +/- 0.13  99.636% * 99.3381% (0.68   6.21  26.46) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.81 +/- 0.11   0.254% *  0.1848% (0.39   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    LYS+  65   8.66 +/- 0.26   0.060% *  0.2614% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.93 +/- 0.10   0.049% *  0.1342% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  26.12 +/- 0.95   0.000% *  0.0814% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.667, support = 0.99, residual support = 3.64:
          HA    ASP-  62 - HN    LYS+  65   3.42 +/- 0.13  99.988% * 96.1894% (0.67   0.99   3.64) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  16.26 +/- 0.34   0.009% *  1.4622% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  20.45 +/- 0.53   0.002% *  1.9958% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  30.57 +/- 0.58   0.000% *  0.3526% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.21, residual support = 26.5:
        T HN    LYS+  65 - HN    LYS+  66   2.49 +/- 0.13 100.000% *100.0000% (0.97   6.21  26.46) = 100.000%  kept
    Distance limit 3.39 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 = 5.06, residual support = 111.9:
      O   HA    LYS+  66 - HN    LYS+  66   2.86 +/- 0.04  99.999% * 99.7589% (0.97   5.06 111.86) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.57 +/- 0.62   0.000% *  0.1393% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  28.60 +/- 0.75   0.000% *  0.1018% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.0752, support = 0.0197, residual support = 48.6:
          HD22  ASN   28 - HE3   TRP   27   7.62 +/- 0.13  99.819% * 11.1670% (0.08   0.02  49.28) =  98.580%  kept
          HD22  ASN   28 - HN    LEU   67  21.85 +/- 0.41   0.181% * 88.8330% (0.61   0.02   0.02) =   1.420%
    Distance limit 4.70 A violated in 20 structures by 2.92 A, eliminated.
    Peak unassigned.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.09, residual support = 61.5:
      O   HA    LEU   67 - HN    LEU   67   2.94 +/- 0.00  99.872% * 99.8764% (1.00   6.09  61.51) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27   9.02 +/- 0.43   0.124% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  16.84 +/- 0.39   0.003% *  0.0412% (0.13   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.21 +/- 0.34   0.001% *  0.0732% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 4.48, residual support = 10.3:
      O   HA    LYS+  66 - HN    LEU   67   3.44 +/- 0.06  99.972% * 99.6377% (0.97   4.48  10.27) = 100.000%  kept
          HA    GLU-  36 - HN    LEU   67  20.28 +/- 0.63   0.002% *  0.1572% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  16.06 +/- 0.29   0.010% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  19.22 +/- 0.36   0.003% *  0.0559% (0.12   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  15.44 +/- 0.40   0.012% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  28.59 +/- 0.72   0.000% *  0.1149% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.3:
        T HN    VAL   70 - HN    ASN   69   2.36 +/- 0.31  99.998% * 99.8650% (0.87   5.26  26.26) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.20 +/- 0.47   0.002% *  0.1350% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.42, residual support = 59.8:
      O   HA    ASN   69 - HN    ASN   69   2.89 +/- 0.03  99.992% * 99.3504% (0.76   5.42  59.76) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  14.01 +/- 0.35   0.008% *  0.2335% (0.49   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  21.82 +/- 0.38   0.001% *  0.4161% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 3.25, residual support = 59.8:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00 100.000% * 99.4499% (0.52   3.25  59.76) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  16.34 +/- 1.44   0.000% *  0.4024% (0.34   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  28.62 +/- 0.72   0.000% *  0.1477% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.54 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 = 3.25, residual support = 59.8:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.998% * 98.5196% (0.52   3.25  59.76) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  10.29 +/- 0.67   0.002% *  0.6558% (0.56   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  34.37 +/- 0.82   0.000% *  0.6217% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  33.60 +/- 1.15   0.000% *  0.2029% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.5, residual support = 41.8:
          QE    PHE   72 - HN    VAL   70   4.42 +/- 0.32  99.983% * 97.1675% (0.45   1.50  41.80) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  19.04 +/- 0.41   0.017% *  2.8325% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 2 structures by 0.03 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.3:
        T HN    ASN   69 - HN    VAL   70   2.36 +/- 0.31  99.996% * 99.7696% (0.87   5.26  26.26) = 100.000%  kept
          HN    GLY  101 - HN    VAL   70  14.06 +/- 0.65   0.003% *  0.1089% (0.25   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  17.75 +/- 0.38   0.001% *  0.1215% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.06, residual support = 1.06:
          HA    PRO   68 - HN    VAL   70   3.59 +/- 0.19 100.000% *100.0000% (0.99   1.06   1.06) = 100.000%  kept
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 81.5:
      O   HA    VAL   70 - HN    VAL   70   2.93 +/- 0.02  99.631% * 96.2765% (0.84   3.89  81.48) =  99.998%  kept
          HA    VAL   18 - HN    VAL   70   7.99 +/- 0.64   0.275% *  0.5713% (0.97   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    VAL   70  12.92 +/- 0.49   0.014% *  0.5906% (1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   70  10.08 +/- 0.87   0.070% *  0.1171% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  17.39 +/- 0.42   0.002% *  0.5802% (0.98   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   70  15.24 +/- 0.40   0.005% *  0.1827% (0.31   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  18.45 +/- 0.48   0.002% *  0.4944% (0.84   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  22.84 +/- 0.63   0.000% *  0.3351% (0.57   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  30.82 +/- 0.63   0.000% *  0.5464% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  25.07 +/- 0.46   0.000% *  0.1037% (0.18   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  32.57 +/- 0.49   0.000% *  0.2019% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 5.67, residual support = 126.7:
      O   HA    LEU   71 - HN    LEU   71   2.92 +/- 0.01  99.857% * 99.7894% (1.00   5.67 126.71) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   8.93 +/- 0.29   0.125% *  0.0784% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  12.33 +/- 0.36   0.018% *  0.1322% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 1.0, support = 4.88, residual support = 31.4:
      O   HA    VAL   70 - HN    LEU   71   2.28 +/- 0.03  99.725% * 98.0634% (1.00   4.88  31.44) =  99.999%  kept
          HA    VAL   18 - HN    LEU   71   7.63 +/- 0.50   0.076% *  0.2759% (0.69   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   71   7.94 +/- 0.70   0.069% *  0.1955% (0.49   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   7.68 +/- 1.16   0.108% *  0.0795% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71   9.53 +/- 0.28   0.019% *  0.3484% (0.87   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  13.50 +/- 0.26   0.002% *  0.2917% (0.73   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  19.61 +/- 0.32   0.000% *  0.4017% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  21.43 +/- 0.55   0.000% *  0.1002% (0.25   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  27.35 +/- 0.69   0.000% *  0.2436% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.998, support = 2.0, residual support = 2.75:
          HA    VAL   41 - HN    LEU   71   3.52 +/- 0.29  99.925% * 98.6149% (1.00   2.00   2.75) =  99.999%  kept
          HA    HIS  122 - HN    LEU   71  12.53 +/- 0.45   0.056% *  0.8255% (0.84   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU   71  14.90 +/- 0.27   0.019% *  0.5596% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 2.33, residual support = 2.45:
          HN    VAL   42 - HN    LEU   71   4.30 +/- 0.24  90.749% * 97.8092% (0.61   2.34   2.46) =  99.893%  kept
          HN    LEU   73 - HN    LEU   71   6.81 +/- 0.17   5.888% *  0.8374% (0.61   0.02   0.02) =   0.055%
          HN    ILE   19 - HN    LEU   71   7.55 +/- 0.40   3.363% *  1.3533% (0.98   0.02   0.02) =   0.051%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.43, residual support = 81.1:
          QD    PHE   72 - HN    PHE   72   2.54 +/- 0.16  99.956% * 98.8845% (0.45   5.43  81.14) = 100.000%  kept
          HD22  ASN   69 - HN    PHE   72   9.97 +/- 0.41   0.032% *  0.5899% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.60 +/- 0.16   0.012% *  0.5256% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 4.78, residual support = 81.1:
      O   HA    PHE   72 - HN    PHE   72   2.91 +/- 0.01 100.000% *100.0000% (0.53   4.78  81.14) = 100.000%  kept
    Distance limit 4.42 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 = 5.23, residual support = 18.9:
      O   HA    LEU   71 - HN    PHE   72   2.19 +/- 0.01  99.889% * 99.7717% (1.00   5.23  18.87) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.21 +/- 0.21   0.079% *  0.0850% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   8.42 +/- 0.27   0.031% *  0.1433% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.46, support = 0.0193, residual support = 0.0193:
          HA    PHE   45 - HN    PHE   72  12.24 +/- 0.27  67.115% *  7.2068% (0.18   0.02   0.02) =  40.064%  kept
          HA    THR   23 - HN    PHE   72  15.71 +/- 0.22  15.148% * 29.8815% (0.73   0.02   0.02) =  37.494%  kept
          HA    ASP-  78 - HN    PHE   72  20.45 +/- 0.12   3.083% * 39.7133% (0.97   0.02   0.02) =  10.142%  kept
          HB    THR   23 - HN    PHE   72  16.39 +/- 0.23  11.734% *  9.1616% (0.22   0.02   0.02) =   8.905%  kept
          HA    LEU   80 - HN    PHE   72  20.65 +/- 0.28   2.920% * 14.0368% (0.34   0.02   0.02) =   3.395%
    Distance limit 4.68 A violated in 20 structures by 6.83 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 0.597, residual support = 0.589:
          QE    PHE   60 - HN    LEU   73   4.81 +/- 0.45  98.110% * 84.3851% (0.49   0.60   0.59) =  99.910%  kept
          HD21  ASN   28 - HN    LEU   73  10.72 +/- 0.13   0.909% *  5.6875% (0.98   0.02   4.04) =   0.062%
          HN    LEU   63 - HN    LEU   73  10.77 +/- 0.34   0.855% *  2.3854% (0.41   0.02   0.02) =   0.025%
          HN    ILE   56 - HN    LEU   73  15.07 +/- 0.33   0.115% *  1.7909% (0.31   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HN    LEU   73  22.65 +/- 0.81   0.011% *  5.7510% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.77 A violated in 7 structures by 0.21 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.68, residual support = 161.3:
      O   HA    LEU   73 - HN    LEU   73   2.93 +/- 0.00 100.000% *100.0000% (0.95   6.68 161.29) = 100.000%  kept
    Distance limit 4.04 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 = 4.47, residual support = 26.1:
      O   HA    PHE   72 - HN    LEU   73   2.24 +/- 0.04 100.000% *100.0000% (0.53   4.47  26.08) = 100.000%  kept
    Distance limit 3.22 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 = 0.526, support = 3.81, residual support = 9.21:
          HA    VAL   43 - HN    LEU   73   2.81 +/- 0.18  98.588% * 98.5787% (0.53   3.81   9.21) =  99.991%  kept
          HA    LEU   71 - HN    LEU   73   6.08 +/- 0.11   1.028% *  0.8207% (0.84   0.02   0.02) =   0.009%
          HA    ALA   20 - HN    LEU   73   7.34 +/- 0.29   0.347% *  0.1330% (0.14   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    LEU   73  11.65 +/- 0.36   0.022% *  0.1944% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    LEU   73  12.21 +/- 0.15   0.016% *  0.2732% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 3.69, residual support = 9.82:
        T HN    CYS   21 - HN    LYS+  74   2.64 +/- 0.24  99.993% * 92.7273% (0.12   3.69   9.82) = 100.000%  kept
          HN    SER   37 - HN    LYS+  74  15.68 +/- 0.46   0.003% *  2.7133% (0.67   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  18.87 +/- 0.60   0.001% *  2.2968% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  16.14 +/- 0.50   0.002% *  0.6386% (0.16   0.02   0.02) =   0.000%
        T HN    ILE  119 - HN    LYS+  74  18.89 +/- 0.46   0.001% *  1.6239% (0.40   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.614, support = 5.28, residual support = 36.3:
          HN    LEU   73 - HN    LYS+  74   4.50 +/- 0.05  50.362% * 75.6358% (0.64   6.19  45.79) =  76.672%  kept
        T HN    ILE   19 - HN    LYS+  74   4.53 +/- 0.10  48.144% * 24.0658% (0.54   2.31   5.27) =  23.321%  kept
          HN    VAL   42 - HN    LYS+  74   8.13 +/- 0.27   1.478% *  0.2444% (0.64   0.02   0.02) =   0.007%
          HN    LYS+ 106 - HN    LYS+  74  17.32 +/- 0.24   0.015% *  0.0539% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 5.93, residual support = 45.8:
      O   HA    LEU   73 - HN    LYS+  74   2.25 +/- 0.03 100.000% *100.0000% (0.68   5.93  45.79) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.08, residual support = 176.3:
      O   HA    LYS+  74 - HN    LYS+  74   2.94 +/- 0.00  99.892% * 98.1533% (0.20   6.08 176.28) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.30 +/- 0.34   0.102% *  0.2296% (0.14   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  15.52 +/- 0.33   0.005% *  1.0065% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  18.99 +/- 0.42   0.001% *  0.6105% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.684, support = 3.67, residual support = 8.13:
          HA    ALA   20 - HN    LYS+  74   3.23 +/- 0.30  99.673% * 99.7038% (0.68   3.67   8.13) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   8.55 +/- 0.17   0.327% *  0.2962% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 5.85, residual support = 27.0:
      O   HA    LYS+  74 - HN    VAL   75   2.18 +/- 0.00  99.995% * 99.3170% (0.61   5.85  26.97) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  11.49 +/- 0.36   0.005% *  0.5584% (1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.61 +/- 0.47   0.000% *  0.1246% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 3.74, residual support = 36.3:
      O   HA    ASP-  76 - HN    ASP-  76   2.84 +/- 0.03  99.999% * 97.6593% (0.22   3.74  36.31) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  21.17 +/- 0.33   0.001% *  2.3407% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 3.42, residual support = 9.35:
      O   HA    VAL  107 - HN    VAL  108   2.25 +/- 0.04  99.837% * 97.6608% (0.65   3.42   9.35) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   6.85 +/- 0.68   0.159% *  0.1746% (0.20   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  13.37 +/- 0.73   0.003% *  0.7067% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  15.20 +/- 0.70   0.001% *  0.6062% (0.69   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  21.03 +/- 0.58   0.000% *  0.8517% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.98, support = 5.53, residual support = 28.5:
        T HN    ASP-  78 - HN    THR   77   2.76 +/- 0.02  98.948% * 99.7125% (0.98   5.53  28.45) =  99.998%  kept
          HN    VAL   75 - HN    THR   77   5.92 +/- 0.19   1.050% *  0.2231% (0.61   0.02   0.34) =   0.002%
          HN    LYS+ 112 - HN    THR   77  16.95 +/- 0.30   0.002% *  0.0644% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 5.53, residual support = 28.5:
        T HN    THR   77 - HN    ASP-  78   2.76 +/- 0.02 100.000% *100.0000% (1.00   5.53  28.45) = 100.000%  kept
    Distance limit 3.92 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 = 3.68, residual support = 14.4:
        T HN    GLU-  79 - HN    ASP-  78   2.27 +/- 0.05  99.987% * 99.5440% (0.99   3.68  14.35) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  10.12 +/- 0.24   0.013% *  0.4560% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 3.68, residual support = 14.4:
        T HN    ASP-  78 - HN    GLU-  79   2.27 +/- 0.05  99.938% * 99.4594% (0.56   3.68  14.35) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   7.77 +/- 0.15   0.062% *  0.5406% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.604, support = 4.3, residual support = 53.6:
      O   HA    GLU-  79 - HN    GLU-  79   2.62 +/- 0.06  98.803% * 97.3989% (0.60   4.30  53.62) =  99.997%  kept
          HB    THR   77 - HN    GLU-  79   5.51 +/- 0.12   1.154% *  0.2769% (0.37   0.02   0.02) =   0.003%
          HA    SER   85 - HN    GLU-  79  10.50 +/- 0.28   0.024% *  0.2769% (0.37   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  11.92 +/- 0.29   0.011% *  0.2402% (0.32   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  14.19 +/- 0.75   0.004% *  0.4476% (0.60   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  14.67 +/- 0.60   0.003% *  0.3490% (0.47   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  21.79 +/- 0.55   0.000% *  0.3316% (0.44   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.38 +/- 0.41   0.000% *  0.4566% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  32.34 +/- 2.75   0.000% *  0.2223% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.0825, support = 3.74, residual support = 14.3:
      O   HA    ASP-  78 - HN    GLU-  79   3.50 +/- 0.02  98.975% * 93.6613% (0.08   3.75  14.35) =  99.960%  kept
          HA    PHE   45 - HN    GLU-  79   7.55 +/- 0.31   1.020% *  3.6630% (0.60   0.02   0.02) =   0.040%
          HA    VAL   41 - HN    GLU-  79  18.55 +/- 0.31   0.005% *  1.9444% (0.32   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  26.97 +/- 0.43   0.000% *  0.7314% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 11.9:
      O   HA    ASP-  76 - HN    THR   77   2.26 +/- 0.01 100.000% * 99.2768% (0.53   4.53  11.89) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  22.32 +/- 0.27   0.000% *  0.7232% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.566, support = 1.22, residual support = 3.84:
          HA    ALA   47 - HN    THR   77   2.74 +/- 0.17  99.615% * 88.9863% (0.57   1.22   3.84) =  99.990%  kept
          HA    CYS   50 - HN    THR   77   7.66 +/- 0.71   0.257% *  2.5170% (0.98   0.02   0.02) =   0.007%
          HA    TRP   49 - HN    THR   77   9.33 +/- 0.21   0.066% *  2.2275% (0.87   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    THR   77  10.78 +/- 0.19   0.029% *  2.4782% (0.97   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    THR   77  11.34 +/- 0.22   0.021% *  1.7639% (0.69   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    THR   77  12.73 +/- 0.71   0.011% *  1.1513% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    THR   77  22.82 +/- 0.36   0.000% *  0.8759% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.249, support = 1.22, residual support = 12.3:
          HA    THR   46 - HN    THR   77   4.15 +/- 0.15  96.965% * 80.8941% (0.25   1.22  12.28) =  99.860%  kept
          HA    GLN   90 - HN    THR   77   7.70 +/- 0.53   2.778% *  3.6403% (0.69   0.02   0.02) =   0.129%
          HA    ALA  110 - HN    THR   77  12.29 +/- 0.23   0.147% *  3.0003% (0.57   0.02   0.02) =   0.006%
          HA    VAL   42 - HN    THR   77  14.36 +/- 0.15   0.058% *  4.5970% (0.87   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    THR   77  15.54 +/- 0.33   0.036% *  4.5970% (0.87   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    THR   77  18.12 +/- 0.59   0.015% *  1.6357% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   77  26.46 +/- 0.49   0.002% *  1.6357% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.01, residual support = 37.6:
      O   HB    THR   77 - HN    THR   77   3.48 +/- 0.01  97.060% * 95.9473% (0.76   4.01  37.57) =  99.993%  kept
          HA    GLU-  79 - HN    THR   77   6.48 +/- 0.22   2.375% *  0.1741% (0.28   0.02   0.02) =   0.004%
          HA    ASP-  44 - HN    THR   77   8.67 +/- 0.15   0.409% *  0.5230% (0.84   0.02   0.02) =   0.002%
          HA    SER   85 - HN    THR   77  11.97 +/- 0.29   0.059% *  0.4785% (0.76   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  11.71 +/- 0.80   0.075% *  0.0966% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  15.27 +/- 0.34   0.014% *  0.5014% (0.80   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  19.48 +/- 0.28   0.003% *  0.4051% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.86 +/- 1.64   0.001% *  0.4547% (0.73   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  22.33 +/- 0.22   0.001% *  0.2136% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  29.04 +/- 2.72   0.000% *  0.5230% (0.84   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.74 +/- 0.25   0.001% *  0.1394% (0.22   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  32.19 +/- 2.50   0.000% *  0.5432% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.647, support = 4.81, residual support = 37.7:
        T HN    LEU   80 - HN    LYS+  81   3.74 +/- 0.54  88.195% * 98.4449% (0.65   4.81  37.73) =  99.961%  kept
          HN    SER   85 - HN    LYS+  81   5.44 +/- 0.13  11.790% *  0.2835% (0.45   0.02   0.02) =   0.038%
          HN    CYS   53 - HN    LYS+  81  17.41 +/- 1.18   0.009% *  0.2600% (0.41   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  20.92 +/- 0.42   0.004% *  0.5282% (0.84   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    LYS+  81  23.21 +/- 0.41   0.002% *  0.4833% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.77, residual support = 19.8:
        T HN    SER   82 - HN    LYS+  81   2.58 +/- 0.12  99.980% * 99.4031% (1.00   4.77  19.77) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  10.96 +/- 0.69   0.020% *  0.1564% (0.38   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  26.81 +/- 0.51   0.000% *  0.2192% (0.53   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  26.46 +/- 1.19   0.000% *  0.0927% (0.22   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  29.75 +/- 1.16   0.000% *  0.1286% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.687, support = 5.77, residual support = 37.7:
      O   HA    LEU   80 - HN    LYS+  81   2.44 +/- 0.30  92.316% * 98.6412% (0.69   5.77  37.73) =  99.960%  kept
          HA    ASP-  78 - HN    LYS+  81   4.85 +/- 0.74   7.619% *  0.4708% (0.95   0.02   0.18) =   0.039%
          HA    THR   23 - HN    LYS+  81   8.71 +/- 0.38   0.050% *  0.4878% (0.98   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+  81  10.62 +/- 0.73   0.015% *  0.2618% (0.53   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  26.77 +/- 1.15   0.000% *  0.1384% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.46, residual support = 108.3:
      O   HA    LYS+  81 - HN    LYS+  81   2.81 +/- 0.04  99.997% * 98.9291% (0.99   5.46 108.32) = 100.000%  kept
          HA    ARG+  54 - HN    LYS+  81  20.39 +/- 1.17   0.001% *  0.2656% (0.73   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  16.77 +/- 0.45   0.002% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  28.72 +/- 0.54   0.000% *  0.3460% (0.95   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  25.92 +/- 1.11   0.000% *  0.0724% (0.20   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  37.77 +/- 1.03   0.000% *  0.3055% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 4.19, residual support = 34.8:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.04  99.988% * 94.1303% (0.25   4.19  34.85) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  13.49 +/- 0.49   0.008% *  1.4432% (0.80   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  16.42 +/- 0.36   0.002% *  0.6765% (0.38   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  19.85 +/- 0.81   0.001% *  1.7667% (0.98   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  21.16 +/- 0.36   0.001% *  1.7394% (0.97   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  29.65 +/- 1.13   0.000% *  0.2439% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.196, support = 0.0198, residual support = 0.0198:
          HB    THR   23 - HN    SER   82  11.48 +/- 0.60  99.429% * 32.4951% (0.20   0.02   0.02) =  98.822%  kept
          HA    ASP- 105 - HN    SER   82  27.53 +/- 1.20   0.571% * 67.5049% (0.41   0.02   0.02) =   1.178%
    Distance limit 4.53 A violated in 20 structures by 6.94 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 = 20.7:
        T HN    VAL   83 - HN    SER   82   2.71 +/- 0.10  99.996% * 99.7424% (1.00   5.62  20.67) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  14.97 +/- 1.03   0.004% *  0.2576% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 4.77, residual support = 19.8:
          HN    LYS+  81 - HN    SER   82   2.58 +/- 0.12  99.997% * 99.3709% (1.00   4.77  19.77) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  15.42 +/- 0.42   0.002% *  0.0929% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  19.50 +/- 0.54   0.001% *  0.3342% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  23.60 +/- 0.80   0.000% *  0.0731% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  29.99 +/- 0.59   0.000% *  0.1288% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 7.47, residual support = 42.0:
        T HN    ALA   84 - HN    VAL   83   2.35 +/- 0.03 100.000% * 99.1540% (0.75   7.47  42.01) = 100.000%  kept
          HN    LYS+ 111 - HN    VAL   83  22.43 +/- 1.15   0.000% *  0.2654% (0.75   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  22.56 +/- 0.54   0.000% *  0.1945% (0.55   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    VAL   83  24.22 +/- 1.98   0.000% *  0.2237% (0.63   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  26.88 +/- 0.40   0.000% *  0.1624% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 20.7:
        T HN    SER   82 - HN    VAL   83   2.71 +/- 0.10  99.974% * 99.4930% (0.75   5.62  20.67) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.90 +/- 0.35   0.025% *  0.1328% (0.28   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  24.83 +/- 1.53   0.000% *  0.0788% (0.17   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  28.44 +/- 0.61   0.000% *  0.1862% (0.40   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  29.90 +/- 1.21   0.000% *  0.1092% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 17.3:
        T HN    SER   85 - HN    ALA   84   2.54 +/- 0.08  99.996% * 99.3274% (0.99   3.77  17.29) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  14.41 +/- 0.71   0.003% *  0.1184% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  21.39 +/- 0.59   0.000% *  0.4611% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  23.66 +/- 0.42   0.000% *  0.0931% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 7.47, residual support = 42.0:
        T HN    VAL   83 - HN    ALA   84   2.35 +/- 0.03  99.998% * 99.8060% (1.00   7.47  42.01) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  13.90 +/- 0.63   0.002% *  0.1940% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 2.22, residual support = 5.58:
          HA    LYS+  81 - HN    ALA   84   3.18 +/- 0.21  99.993% * 95.6284% (0.80   2.22   5.58) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  17.13 +/- 0.52   0.004% *  0.5230% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  21.18 +/- 0.46   0.001% *  1.0369% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  24.69 +/- 0.98   0.000% *  0.4817% (0.45   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  28.79 +/- 0.69   0.000% *  0.7381% (0.69   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  25.76 +/- 0.39   0.000% *  0.3316% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  25.07 +/- 1.81   0.000% *  0.1882% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  37.03 +/- 0.80   0.000% *  1.0721% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.407, support = 0.0188, residual support = 0.0188:
          HA    GLU-  25 - HN    VAL   83  13.04 +/- 0.51  70.337% * 13.1508% (0.34   0.02   0.02) =  59.380%  kept
          HA    THR   26 - HN    VAL   83  16.46 +/- 0.55  17.415% * 21.2999% (0.55   0.02   0.02) =  23.813%  kept
          HA    CYS   53 - HN    VAL   83  19.72 +/- 0.58   6.237% * 27.0775% (0.70   0.02   0.02) =  10.842%  kept
          HA    ILE   19 - HN    VAL   83  21.41 +/- 0.31   3.604% * 20.1488% (0.52   0.02   0.02) =   4.662%
          HA1   GLY  101 - HN    VAL   83  24.87 +/- 2.11   1.678% *  7.3142% (0.19   0.02   0.02) =   0.788%
          HA    GLU- 114 - HN    VAL   83  28.33 +/- 1.37   0.729% * 11.0089% (0.28   0.02   0.02) =   0.515%
    Distance limit 4.56 A violated in 20 structures by 7.86 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.577, support = 2.6, residual support = 5.13:
        T HN    SER   85 - HN    VAL   83   3.87 +/- 0.10  87.407% * 98.0648% (0.58   2.60   5.13) =  99.951%  kept
          HN    LEU   80 - HN    VAL   83   5.38 +/- 0.19  12.581% *  0.3364% (0.26   0.02   0.02) =   0.049%
          HN    GLN   32 - HN    VAL   83  20.59 +/- 0.67   0.004% *  0.9840% (0.75   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  19.45 +/- 0.72   0.006% *  0.1727% (0.13   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  23.20 +/- 0.56   0.002% *  0.4421% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 4.18, residual support = 6.33:
          HN    SER   82 - HN    ALA   84   3.69 +/- 0.12  99.321% * 99.2204% (0.87   4.18   6.33) =  99.997%  kept
          HN    GLN   90 - HN    ALA   84   8.58 +/- 0.35   0.677% *  0.3763% (0.69   0.02   0.02) =   0.003%
          HN    ILE  103 - HN    ALA   84  24.55 +/- 1.12   0.001% *  0.2667% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  28.24 +/- 0.56   0.001% *  0.1366% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 13.3:
          HN    ASP-  86 - HN    SER   85   2.50 +/- 0.08  99.999% * 97.4555% (0.80   3.33  13.31) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  21.83 +/- 0.37   0.000% *  0.6337% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  20.47 +/- 0.51   0.000% *  0.2742% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  27.65 +/- 0.71   0.000% *  0.4726% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  28.99 +/- 1.13   0.000% *  0.5305% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  34.09 +/- 2.03   0.000% *  0.6337% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 17.3:
          HN    ALA   84 - HN    SER   85   2.54 +/- 0.08  99.978% * 97.8183% (0.90   3.77  17.29) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85  10.58 +/- 0.16   0.020% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  17.48 +/- 0.63   0.001% *  0.1786% (0.31   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  21.84 +/- 0.56   0.000% *  0.5671% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  21.81 +/- 0.90   0.000% *  0.5189% (0.90   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  27.60 +/- 0.33   0.000% *  0.5341% (0.92   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  27.74 +/- 1.94   0.000% *  0.2816% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 2.6, residual support = 5.13:
        T HN    VAL   83 - HN    SER   85   3.87 +/- 0.10  99.958% * 99.6371% (0.87   2.60   5.13) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  14.45 +/- 0.83   0.042% *  0.3629% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 2.99, residual support = 16.0:
      O   HA    SER   85 - HN    SER   85   2.81 +/- 0.02  96.912% * 95.5091% (0.99   2.99  16.04) =  99.990%  kept
          HA    ASP-  86 - HN    SER   85   5.05 +/- 0.07   2.912% *  0.2891% (0.45   0.02  13.31) =   0.009%
          HB    THR   77 - HN    SER   85   8.87 +/- 0.37   0.101% *  0.6392% (0.99   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    SER   85   9.35 +/- 0.19   0.072% *  0.3911% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  18.45 +/- 0.32   0.001% *  0.6449% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  18.18 +/- 1.21   0.001% *  0.2651% (0.41   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  25.70 +/- 0.84   0.000% *  0.6100% (0.95   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  21.98 +/- 0.41   0.000% *  0.1129% (0.18   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  31.55 +/- 0.48   0.000% *  0.3393% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  32.80 +/- 1.66   0.000% *  0.2420% (0.38   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  40.43 +/- 2.97   0.000% *  0.6434% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  37.42 +/- 3.21   0.000% *  0.3139% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.546, support = 0.0173, residual support = 0.0173:
          HA    THR   26 - HN    SER   85  19.79 +/- 0.53  13.883% * 23.1039% (0.98   0.02   0.02) =  33.467%  kept
          HA    CYS   53 - HN    SER   85  18.89 +/- 0.58  18.822% * 14.2963% (0.61   0.02   0.02) =  28.077%  kept
          HA    GLU-  25 - HN    SER   85  16.63 +/- 0.51  39.474% *  4.1279% (0.18   0.02   0.02) =  17.002%  kept
          HA    ASN   28 - HN    SER   85  19.61 +/- 0.54  14.691% *  5.2476% (0.22   0.02   0.02) =   8.044%  kept
          HA    ILE   19 - HN    SER   85  23.45 +/- 0.32   4.987% *  8.0401% (0.34   0.02   0.02) =   4.183%
          HA    GLU- 114 - HN    SER   85  28.02 +/- 1.09   1.782% * 17.1158% (0.73   0.02   0.02) =   3.182%
          HA1   GLY  101 - HN    SER   85  27.42 +/- 1.76   2.102% * 13.3446% (0.57   0.02   0.02) =   2.927%
          HA    LEU  115 - HN    SER   85  26.22 +/- 0.84   2.627% *  5.8774% (0.25   0.02   0.02) =   1.611%
          HA    ALA   34 - HN    SER   85  28.25 +/- 0.39   1.632% *  8.8463% (0.38   0.02   0.02) =   1.507%
    Distance limit 4.15 A violated in 20 structures by 10.41 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 = 13.3:
        T HN    SER   85 - HN    ASP-  86   2.50 +/- 0.08  99.999% * 99.2397% (0.99   3.33  13.31) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  17.03 +/- 0.62   0.001% *  0.1338% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  24.55 +/- 0.76   0.000% *  0.5213% (0.87   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  26.98 +/- 0.63   0.000% *  0.1052% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.946, support = 3.69, residual support = 22.4:
          HN    TRP   87 - HN    ASP-  86   2.41 +/- 0.02  99.899% * 98.7385% (0.95   3.69  22.37) = 100.000%  kept
          HE3   TRP   87 - HN    ASP-  86   7.60 +/- 0.05   0.101% *  0.1746% (0.31   0.02  22.37) =   0.000%
          HN    GLN   17 - HN    ASP-  86  30.55 +/- 0.45   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  35.00 +/- 1.12   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.867, support = 4.05, residual support = 40.9:
      O   HA    ASP-  86 - HN    ASP-  86   2.84 +/- 0.01  77.499% * 97.9221% (0.87   4.05  40.96) =  99.972%  kept
      O   HA    SER   85 - HN    ASP-  86   3.56 +/- 0.02  19.919% *  0.0859% (0.15   0.02  13.31) =   0.023%
          HA    TRP   87 - HN    ASP-  86   5.01 +/- 0.03   2.548% *  0.1549% (0.28   0.02  22.37) =   0.005%
          HB    THR   77 - HN    ASP-  86  10.32 +/- 0.30   0.034% *  0.0859% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  19.66 +/- 0.44   0.001% *  0.1102% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  29.53 +/- 1.07   0.000% *  0.5375% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  34.48 +/- 1.72   0.000% *  0.5142% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  39.14 +/- 3.26   0.000% *  0.4652% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  42.10 +/- 3.02   0.000% *  0.1240% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 3.69, residual support = 22.4:
          HN    ASP-  86 - HN    TRP   87   2.41 +/- 0.02 100.000% * 98.4310% (1.00   3.69  22.37) = 100.000%  kept
          HN    GLU-  29 - HN    TRP   87  22.04 +/- 0.88   0.000% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    TRP   87  23.30 +/- 0.74   0.000% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  27.12 +/- 0.61   0.000% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  28.79 +/- 1.11   0.000% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  35.91 +/- 2.01   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.844, support = 4.1, residual support = 65.4:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.00  71.901% * 80.9783% (0.90   4.16  69.21) =  91.873%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.43 +/- 0.01  28.099% * 18.3299% (0.25   3.39  22.37) =   8.127%  kept
          HA    LEU  104 - HN    TRP   87  28.35 +/- 0.77   0.000% *  0.2982% (0.69   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  27.23 +/- 0.45   0.000% *  0.1630% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  34.62 +/- 1.71   0.000% *  0.1340% (0.31   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  39.48 +/- 3.11   0.000% *  0.0967% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.278, support = 1.89, residual support = 69.2:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.765% * 87.0992% (0.28   1.89  69.21) =  99.965%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.228% *  2.4095% (0.73   0.02  69.21) =   0.034%
          HN    ALA   91 - HE1   TRP   87  13.23 +/- 0.35   0.006% *  3.2889% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - HE1   TRP   87  18.02 +/- 1.38   0.001% *  2.9759% (0.90   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  27.06 +/- 0.48   0.000% *  3.2023% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  28.98 +/- 0.69   0.000% *  1.0242% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.794, support = 0.0198, residual support = 0.0198:
          HZ2   TRP   27 - HE1   TRP   87  15.45 +/- 0.93  96.709% * 80.1831% (0.80   0.02   0.02) =  99.166%  kept
          HZ    PHE   72 - HE1   TRP   87  27.35 +/- 0.67   3.291% * 19.8169% (0.20   0.02   0.02) =   0.834%
    Distance limit 4.45 A violated in 20 structures by 11.00 A, eliminated.
    Peak unassigned.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.275, support = 3.06, residual support = 5.05:
      O   HA    TRP   87 - HN    ALA   88   3.17 +/- 0.08  42.712% * 90.8716% (0.28   3.09   5.10) =  98.967%  kept
          HA    ASP-  86 - HN    ALA   88   3.82 +/- 0.15  14.502% *  1.8329% (0.87   0.02   0.02) =   0.678%
          HA    SER   85 - HN    ALA   88   3.21 +/- 0.29  42.736% *  0.3260% (0.15   0.02   0.02) =   0.355%
          HB    THR   77 - HN    ALA   88   9.77 +/- 0.38   0.050% *  0.3260% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  19.45 +/- 0.38   0.001% *  0.4182% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  29.42 +/- 0.62   0.000% *  2.0392% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  35.82 +/- 1.72   0.000% *  1.9506% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  40.73 +/- 3.13   0.000% *  1.7650% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  43.75 +/- 2.86   0.000% *  0.4704% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.587, support = 0.795, residual support = 13.4:
          HA    TRP   87 - HN    ILE   89   4.46 +/- 0.13  88.052% * 75.1903% (0.61   0.82  13.80) =  96.824%  kept
          HA    ASP-  86 - HN    ILE   89   6.25 +/- 0.15  11.942% * 18.1826% (0.53   0.23   0.02) =   3.176%
          HA    LEU  104 - HN    ILE   89  27.21 +/- 0.56   0.002% *  2.8579% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ILE   89  24.66 +/- 0.38   0.003% *  0.4662% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  33.31 +/- 1.75   0.001% *  1.8325% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  38.32 +/- 3.05   0.000% *  1.4706% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 2 structures by 0.03 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.76, residual support = 32.9:
          HN    ALA   91 - HN    GLN   90   2.22 +/- 0.29  99.966% * 99.1388% (0.92   6.76  32.93) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90   8.56 +/- 0.51   0.034% *  0.3065% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  20.47 +/- 0.39   0.000% *  0.3065% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  19.67 +/- 0.73   0.000% *  0.1926% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  27.40 +/- 0.52   0.000% *  0.0556% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.396, support = 5.27, residual support = 88.8:
      O   HA    GLN   90 - HN    GLN   90   2.86 +/- 0.05  93.442% * 37.3325% (0.34   5.47  95.33) =  89.615%  kept
          HA    ALA   91 - HN    GLN   90   4.53 +/- 0.35   6.545% * 61.7637% (0.87   3.56  32.93) =  10.385%  kept
          HA    ALA  110 - HN    GLN   90  13.58 +/- 0.32   0.008% *  0.1794% (0.45   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    GLN   90  17.22 +/- 0.27   0.002% *  0.3863% (0.97   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  20.45 +/- 0.76   0.001% *  0.2589% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  18.28 +/- 0.79   0.001% *  0.0792% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 95.3:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 97.3706% (0.92   1.00  95.33) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  34.22 +/- 1.87   0.000% *  1.7621% (0.83   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  31.30 +/- 1.96   0.000% *  0.8673% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 95.3:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.965% * 94.3291% (0.76   1.00  95.33) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   7.65 +/- 1.18   0.030% *  0.6127% (0.25   0.02   8.38) =   0.000%
          HD1   TRP   49 - HE22  GLN   90   9.28 +/- 1.03   0.006% *  0.3809% (0.15   0.02   1.50) =   0.000%
          HN    ALA   57 - HE22  GLN   90  19.17 +/- 1.61   0.000% *  0.5496% (0.22   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  19.46 +/- 0.77   0.000% *  0.2362% (0.10   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  23.46 +/- 1.19   0.000% *  0.6156% (0.25   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  31.87 +/- 2.07   0.000% *  1.5970% (0.65   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  28.48 +/- 1.89   0.000% *  0.4323% (0.18   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  34.22 +/- 1.87   0.000% *  0.7238% (0.29   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  31.39 +/- 0.63   0.000% *  0.2109% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.30 +/- 1.34   0.000% *  0.1461% (0.06   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  35.60 +/- 0.78   0.000% *  0.1659% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.76, residual support = 32.9:
        T HN    GLN   90 - HN    ALA   91   2.22 +/- 0.29  99.977% * 99.3535% (0.95   6.76  32.93) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91   9.82 +/- 0.33   0.016% *  0.1634% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.68 +/- 0.63   0.004% *  0.0691% (0.22   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  23.74 +/- 1.09   0.000% *  0.3106% (1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  14.18 +/- 0.28   0.002% *  0.0085% (0.03   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  19.70 +/- 0.81   0.000% *  0.0384% (0.12   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  19.67 +/- 0.73   0.000% *  0.0363% (0.12   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  19.80 +/- 0.49   0.000% *  0.0202% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.109, support = 0.02, residual support = 34.6:
          HA    LEU   73 - HN    TRP   27   7.98 +/- 0.22  99.326% * 10.9973% (0.08   0.02  36.46) =  94.791%  kept
          HA    LEU   73 - HN    ALA   91  18.42 +/- 0.45   0.674% * 89.0027% (0.65   0.02   0.02) =   5.209%  kept
    Distance limit 4.64 A violated in 20 structures by 3.33 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 3.45, residual support = 29.3:
      O   HA    ALA   91 - HN    ALA   91   2.88 +/- 0.01  43.268% * 84.0153% (1.00   3.17  14.22) =  81.506%  kept
      O   HA    TRP   27 - HN    TRP   27   2.76 +/- 0.02  56.707% * 14.5451% (0.12   4.69  95.94) =  18.494%  kept
          HA    PRO   52 - HN    ALA   91  11.88 +/- 1.32   0.012% *  0.1811% (0.34   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  11.63 +/- 0.34   0.010% *  0.0930% (0.18   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.80 +/- 0.36   0.002% *  0.5021% (0.95   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.72 +/- 0.67   0.000% *  0.5021% (0.95   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.21 +/- 1.64   0.001% *  0.0654% (0.12   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.65 +/- 0.61   0.000% *  0.0620% (0.12   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  21.62 +/- 0.36   0.000% *  0.0115% (0.02   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.39 +/- 0.55   0.000% *  0.0224% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (7.73, 8.46, 118.59 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.55, residual support = 14.2:
          HN    ALA   91 - HN    MET   92   4.24 +/- 0.23  99.576% * 98.2276% (0.99   3.55  14.20) =  99.999%  kept
          HE3   TRP   87 - HN    MET   92  11.95 +/- 0.44   0.204% *  0.4054% (0.73   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    MET   92  12.68 +/- 1.56   0.157% *  0.1552% (0.28   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    MET   92  15.53 +/- 1.00   0.042% *  0.5388% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    MET   92  17.74 +/- 1.82   0.020% *  0.5007% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HN    MET   92  26.18 +/- 0.89   0.002% *  0.1723% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.22 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 = 4.52, residual support = 63.5:
      O   HA    MET   92 - HN    MET   92   2.89 +/- 0.02  99.327% * 96.4866% (0.25   4.52  63.50) =  99.997%  kept
          HA    PHE   45 - HN    MET   92   7.38 +/- 1.60   0.671% *  0.4273% (0.25   0.02   0.02) =   0.003%
          HA    VAL   41 - HN    MET   92  19.17 +/- 0.94   0.001% *  1.3723% (0.80   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  23.52 +/- 0.30   0.000% *  1.7138% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 3.55, residual support = 14.2:
      O   HA    ALA   91 - HN    MET   92   2.29 +/- 0.15  99.976% * 98.2739% (0.80   3.55  14.20) = 100.000%  kept
          HA    PRO   52 - HN    MET   92  10.86 +/- 0.76   0.010% *  0.4749% (0.69   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.66 +/- 0.62   0.004% *  0.4472% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  11.89 +/- 1.14   0.009% *  0.1368% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  17.82 +/- 1.71   0.000% *  0.6672% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 3.3, residual support = 27.2:
        T HN    PHE   45 - HN    THR   94   2.99 +/- 0.13  98.698% * 99.3645% (0.95   3.30  27.23) =  99.992%  kept
          HN    ALA  110 - HN    THR   94   6.24 +/- 0.27   1.302% *  0.6355% (1.00   0.02   0.02) =   0.008%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   8.85 +/- 0.20 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.56 A violated in 20 structures by 4.29 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.09, residual support = 15.8:
      O   HA    PRO   93 - HN    THR   94   2.17 +/- 0.04  99.972% * 99.5677% (0.22   4.09  15.84) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   8.58 +/- 0.32   0.028% *  0.4323% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.973, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.86 +/- 0.27  89.914% * 54.6147% (1.00   0.02   0.02) =  93.660%  kept
          HA    LYS+  74 - HN    THR   94   8.48 +/- 0.23   9.971% * 33.1992% (0.61   0.02   0.02) =   6.313%  kept
          HA    HIS  122 - HN    THR   94  17.86 +/- 0.32   0.115% * 12.1862% (0.22   0.02   0.02) =   0.027%
    Distance limit 3.95 A violated in 20 structures by 1.80 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 41.1:
          HN    VAL  107 - HN    PHE   95   3.26 +/- 0.23  99.981% * 99.0525% (0.97   2.00  41.09) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  13.96 +/- 0.56   0.019% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   2.55 +/- 0.08  99.953% * 99.3375% (0.87   3.86  73.50) = 100.000%  kept
          HN    ALA   47 - HN    PHE   95  11.27 +/- 0.20   0.014% *  0.5146% (0.87   0.02   0.02) =   0.000%
          QE    PHE   72 - HN    PHE   95   9.75 +/- 0.32   0.033% *  0.1479% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.00 100.000% *100.0000% (1.00   4.33  73.50) = 100.000%  kept
    Distance limit 4.50 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 = 14.3:
      O   HA    THR   94 - HN    PHE   95   2.20 +/- 0.04  99.971% * 99.0684% (0.65   3.16  14.32) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.67 +/- 0.21   0.008% *  0.7400% (0.76   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.02 +/- 0.29   0.021% *  0.1916% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 4.0, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.20 +/- 0.00 100.000% *100.0000% (0.95   4.00  11.99) = 100.000%  kept
    Distance limit 3.28 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 = 115.5:
      O   HA    MET   96 - HN    MET   96   2.92 +/- 0.00  99.721% * 99.9026% (0.94   4.09 115.51) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.78 +/- 0.16   0.279% *  0.0974% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 4.66, residual support = 60.3:
        T HN    ASP- 105 - HN    PHE   97   3.07 +/- 0.10  99.999% * 99.9150% (1.00   4.66  60.31) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  23.46 +/- 0.51   0.001% *  0.0850% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.09, residual support = 62.6:
          QD    PHE   97 - HN    PHE   97   2.85 +/- 0.21  99.999% * 98.9915% (0.80   4.09  62.58) = 100.000%  kept
          HZ3   TRP   87 - HN    PHE   97  20.64 +/- 0.84   0.001% *  0.5244% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    PHE   97  23.83 +/- 0.75   0.000% *  0.4841% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.32, residual support = 12.4:
          HA    LYS+ 106 - HN    PHE   97   3.16 +/- 0.12 100.000% *100.0000% (0.98   3.32  12.36) = 100.000%  kept
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 45.6:
      O   HA    MET   96 - HN    PHE   97   2.27 +/- 0.02  99.980% * 99.9343% (0.99   6.07  45.59) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.41 +/- 0.15   0.020% *  0.0657% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 5.63, residual support = 27.9:
        T HN    VAL   41 - HN    LEU   98   2.87 +/- 0.26 100.000% *100.0000% (0.69   5.63  27.91) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.14, residual support = 78.9:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.80   5.14  78.90) = 100.000%  kept
    Distance limit 4.38 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 = 3.42, residual support = 10.9:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.00 100.000% *100.0000% (0.98   3.42  10.86) = 100.000%  kept
    Distance limit 3.28 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 = 2.1, residual support = 5.98:
          HA    LEU   40 - HN    LEU   98   4.57 +/- 0.19  22.545% * 75.4817% (0.53   3.12  11.00) =  52.538%  kept
          HA    VAL   42 - HN    LEU   98   3.67 +/- 0.26  77.372% * 19.8681% (0.45   0.96   0.43) =  47.459%  kept
          HA    SER   37 - HN    LEU   98  13.41 +/- 0.53   0.035% *  0.8868% (0.97   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   98  15.21 +/- 0.44   0.016% *  0.8868% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   98  16.23 +/- 0.21   0.010% *  0.9108% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   98  15.67 +/- 1.09   0.014% *  0.6673% (0.73   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  17.92 +/- 0.26   0.006% *  0.6312% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  21.55 +/- 1.48   0.002% *  0.6673% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.945, support = 0.215, residual support = 0.425:
          HN    LYS+ 102 - HN    LYS+  99   2.98 +/- 0.36  97.489% * 83.9975% (0.95   0.22   0.43) =  99.951%  kept
          HN    ASP- 105 - HN    LYS+  99   5.84 +/- 0.12   2.076% *  1.4444% (0.18   0.02   0.02) =   0.037%
          HN    THR   39 - HN    LYS+  99   8.59 +/- 0.48   0.221% *  3.0955% (0.38   0.02   0.02) =   0.008%
          HN    GLU-  36 - HN    LYS+  99  11.30 +/- 0.50   0.041% *  6.6043% (0.80   0.02   0.02) =   0.003%
          HN    GLU-  36 - HN    GLN   30   9.15 +/- 0.10   0.141% *  0.4339% (0.05   0.02   0.02) =   0.001%
          HN    THR   39 - HN    GLN   30  12.20 +/- 0.36   0.025% *  0.2034% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  16.52 +/- 0.99   0.004% *  0.5126% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  24.77 +/- 0.90   0.000% *  3.3908% (0.41   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  17.96 +/- 0.36   0.002% *  0.0949% (0.01   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  21.34 +/- 0.92   0.001% *  0.2228% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.04, residual support = 16.3:
      O   HA    LEU   98 - HN    LYS+  99   2.27 +/- 0.05  99.999% * 99.9675% (0.99   4.04  16.31) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.97 +/- 0.48   0.001% *  0.0325% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 5.05, residual support = 169.8:
      O   HA    LYS+  99 - HN    LYS+  99   2.89 +/- 0.02  99.659% * 98.1638% (0.80   5.05 169.85) =  99.999%  kept
          HA    ASN   35 - HN    LYS+  99   7.81 +/- 0.53   0.281% *  0.3141% (0.65   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    GLN   30  10.49 +/- 0.29   0.044% *  0.0206% (0.04   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  17.48 +/- 0.40   0.002% *  0.2364% (0.49   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  18.82 +/- 0.32   0.001% *  0.2945% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.62 +/- 0.39   0.009% *  0.0255% (0.05   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.55 +/- 0.70   0.000% *  0.4845% (1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  20.72 +/- 0.34   0.001% *  0.2945% (0.61   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  27.05 +/- 0.66   0.000% *  0.0749% (0.15   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.47 +/- 0.45   0.000% *  0.0194% (0.04   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  23.07 +/- 0.40   0.000% *  0.0194% (0.04   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  25.97 +/- 0.68   0.000% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  30.20 +/- 0.48   0.000% *  0.0318% (0.07   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  24.77 +/- 1.11   0.000% *  0.0049% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.77 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   2.80 +/- 0.43  98.763% * 99.9250% (1.00   3.61  14.95) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   6.00 +/- 0.30   1.237% *  0.0750% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.72, residual support = 40.1:
      O   HA    LYS+  99 - HN    GLU- 100   2.20 +/- 0.02  97.081% * 98.8062% (0.99   6.72  40.05) =  99.995%  kept
          HA    ASN   35 - HN    GLU- 100   4.65 +/- 0.51   1.397% *  0.2739% (0.92   0.02   0.02) =   0.004%
          HA    LEU   40 - HN    GLU- 100   4.47 +/- 0.30   1.521% *  0.0587% (0.20   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU- 100  18.99 +/- 0.45   0.000% *  0.2375% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  23.32 +/- 0.37   0.000% *  0.2661% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  21.06 +/- 0.28   0.000% *  0.0916% (0.31   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  26.07 +/- 0.70   0.000% *  0.2661% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 3.14, residual support = 12.6:
          HN    LYS+ 102 - HN    GLY  101   2.58 +/- 0.38  99.684% * 98.8287% (0.95   3.14  12.57) =  99.999%  kept
          HN    THR   39 - HN    GLY  101   7.61 +/- 0.87   0.179% *  0.2495% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101   9.00 +/- 0.92   0.068% *  0.5322% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.05 +/- 0.27   0.069% *  0.1164% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  25.17 +/- 0.85   0.000% *  0.2732% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.98, support = 0.215, residual support = 0.425:
          HN    LYS+  99 - HN    LYS+ 102   2.98 +/- 0.36  99.895% * 81.5798% (0.98   0.22   0.43) =  99.997%  kept
          HE1   HIS  122 - HN    LYS+ 102  13.11 +/- 2.72   0.021% *  7.3128% (0.95   0.02   0.02) =   0.002%
          HN    ASN   35 - HN    LYS+ 102  10.19 +/- 0.98   0.079% *  1.1928% (0.15   0.02   0.02) =   0.001%
          HN    GLN   30 - HN    LYS+ 102  16.52 +/- 0.99   0.004% *  1.9276% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  24.03 +/- 1.67   0.000% *  6.4571% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  29.06 +/- 1.12   0.000% *  1.5299% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.14, residual support = 12.6:
        T HN    GLY  101 - HN    LYS+ 102   2.58 +/- 0.38  99.953% * 99.9138% (1.00   3.14  12.57) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.45 +/- 0.49   0.047% *  0.0862% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 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   2.80 +/- 0.43 100.000% *100.0000% (0.80   3.61  14.95) = 100.000%  kept
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 1.43, residual support = 1.43:
          HA    LYS+  99 - HN    GLY  101   3.53 +/- 0.55  88.232% * 94.6250% (0.99   1.43   1.43) =  99.864%  kept
          HA    ASN   35 - HN    GLY  101   5.45 +/- 0.96   8.536% *  1.2330% (0.92   0.02   0.02) =   0.126%
          HA    LEU   40 - HN    GLY  101   6.18 +/- 0.63   3.224% *  0.2643% (0.20   0.02   0.02) =   0.010%
          HA    LEU  123 - HN    GLY  101  20.36 +/- 0.57   0.003% *  1.0696% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  23.52 +/- 0.55   0.001% *  1.1979% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  25.80 +/- 0.73   0.001% *  1.1979% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  21.73 +/- 0.58   0.002% *  0.4123% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.39 +/- 0.13  99.935% * 96.7495% (1.00   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.59 +/- 1.20   0.059% *  0.6546% (0.97   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  12.77 +/- 0.86   0.005% *  0.5666% (0.84   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  18.51 +/- 0.86   0.000% *  0.4388% (0.65   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.55 +/- 0.54   0.000% *  0.5884% (0.87   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.69 +/- 0.95   0.000% *  0.6417% (0.95   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  21.44 +/- 0.77   0.000% *  0.1510% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.45 +/- 0.65   0.000% *  0.2094% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 6.77, residual support = 39.2:
          HN    LEU  104 - HN    ILE  103   4.49 +/- 0.04  99.960% * 99.4084% (0.49   6.77  39.17) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.56 +/- 0.22   0.040% *  0.5916% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.97, residual support = 22.4:
      O   HA    LYS+ 102 - HN    ILE  103   2.24 +/- 0.08  99.999% * 99.2656% (0.97   5.97  22.37) = 100.000%  kept
          HA1   GLY  109 - HN    ILE  103  18.19 +/- 0.56   0.000% *  0.1175% (0.34   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ILE  103  21.80 +/- 0.61   0.000% *  0.2366% (0.69   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  21.50 +/- 0.39   0.000% *  0.1063% (0.31   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  26.29 +/- 0.82   0.000% *  0.1063% (0.31   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  29.81 +/- 0.34   0.000% *  0.1677% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 137.7:
      O   HA    ILE  103 - HN    ILE  103   2.82 +/- 0.03  99.981% * 98.0102% (0.98   7.03 137.73) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  12.53 +/- 0.46   0.013% *  0.2377% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  15.13 +/- 0.23   0.004% *  0.2468% (0.87   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  21.40 +/- 0.46   0.001% *  0.2627% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  25.14 +/- 0.88   0.000% *  0.2552% (0.90   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.06 +/- 0.33   0.000% *  0.1170% (0.41   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  28.20 +/- 0.70   0.000% *  0.2627% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.91 +/- 0.72   0.000% *  0.2066% (0.73   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  32.95 +/- 2.80   0.000% *  0.2377% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  26.05 +/- 1.70   0.000% *  0.0439% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  28.17 +/- 1.16   0.000% *  0.0563% (0.20   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  30.90 +/- 2.50   0.000% *  0.0633% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 7.37, residual support = 34.3:
        T HN    ASP- 105 - HN    LEU  104   2.36 +/- 0.04 100.000% * 99.9462% (1.00   7.37  34.31) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  27.24 +/- 0.54   0.000% *  0.0538% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 3.16, residual support = 6.99:
          HA    LEU   98 - HN    LEU  104   2.29 +/- 0.16 100.000% *100.0000% (0.80   3.16   6.99) = 100.000%  kept
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.97, residual support = 39.2:
      O   HA    ILE  103 - HN    LEU  104   2.18 +/- 0.00  99.987% * 97.9191% (0.95   6.97  39.17) = 100.000%  kept
          HA    THR   39 - HN    LEU  104  10.18 +/- 0.27   0.010% *  0.1562% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU  104  12.41 +/- 0.18   0.003% *  0.2969% (1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  20.42 +/- 0.38   0.000% *  0.2942% (0.99   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  18.61 +/- 0.33   0.000% *  0.0520% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  24.08 +/- 0.62   0.000% *  0.1801% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  22.83 +/- 1.53   0.000% *  0.1114% (0.38   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  28.29 +/- 0.48   0.000% *  0.2942% (0.99   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  30.07 +/- 2.41   0.000% *  0.2962% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  27.90 +/- 2.14   0.000% *  0.1445% (0.49   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  26.58 +/- 0.60   0.000% *  0.1220% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  28.97 +/- 0.87   0.000% *  0.1331% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.66, residual support = 60.3:
        T HN    PHE   97 - HN    ASP- 105   3.07 +/- 0.10  99.971% * 98.9884% (0.73   4.66  60.31) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.95 +/- 0.52   0.019% *  0.4245% (0.73   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  14.31 +/- 0.44   0.010% *  0.1626% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  29.33 +/- 2.07   0.000% *  0.4245% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.37, residual support = 34.3:
        T HN    LEU  104 - HN    ASP- 105   2.36 +/- 0.04  99.997% * 99.9518% (0.87   7.37  34.31) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.54 +/- 0.23   0.003% *  0.0482% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 5.17, residual support = 131.3:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.89 +/- 0.01 100.000% *100.0000% (0.95   5.17 131.31) = 100.000%  kept
    Distance limit 4.04 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 = 3.47, residual support = 20.3:
      O   HA    ASP- 105 - HN    LYS+ 106   2.43 +/- 0.04 100.000% * 98.2457% (0.92   3.47  20.35) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  24.21 +/- 1.19   0.000% *  0.5805% (0.95   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  24.98 +/- 0.70   0.000% *  0.6123% (1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  23.45 +/- 0.82   0.000% *  0.3722% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  22.41 +/- 0.56   0.000% *  0.1894% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 4.41, residual support = 39.3:
      O   HA    ASP- 105 - HN    ASP- 105   2.83 +/- 0.02  99.999% * 98.6148% (0.92   4.41  39.27) = 100.000%  kept
          HB    THR   23 - HN    ASP- 105  23.45 +/- 0.62   0.000% *  0.4835% (1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  22.30 +/- 0.73   0.000% *  0.2939% (0.61   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ASP- 105  24.15 +/- 1.00   0.000% *  0.4584% (0.95   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  23.22 +/- 0.41   0.000% *  0.1496% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.48, support = 4.86, residual support = 21.7:
      O   HA    LEU  104 - HN    ASP- 105   3.54 +/- 0.02  51.001% * 52.1107% (0.34   6.46  34.31) =  54.737%  kept
          HA    ILE  103 - HN    ASP- 105   3.56 +/- 0.09  48.911% * 44.9322% (0.65   2.94   6.52) =  45.262%  kept
          HA    ASP-  44 - HN    ASP- 105  11.28 +/- 0.17   0.049% *  0.3953% (0.84   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  12.02 +/- 0.30   0.034% *  0.1054% (0.22   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  19.28 +/- 0.37   0.002% *  0.3617% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  23.59 +/- 1.47   0.001% *  0.3437% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  27.32 +/- 0.54   0.000% *  0.3617% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  23.56 +/- 0.62   0.001% *  0.1316% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  28.15 +/- 0.94   0.000% *  0.3790% (0.80   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  28.84 +/- 2.00   0.000% *  0.3953% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  31.12 +/- 2.17   0.000% *  0.4105% (0.87   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.84 +/- 0.55   0.000% *  0.0730% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 1.5, residual support = 2.49:
          QD    PHE   97 - HN    VAL  107   4.30 +/- 0.14  99.975% * 98.5222% (0.87   1.50   2.49) = 100.000%  kept
          HZ3   TRP   87 - HN    VAL  107  18.48 +/- 0.95   0.017% *  1.2126% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    VAL  107  20.89 +/- 0.91   0.008% *  0.2652% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.25, residual support = 21.7:
      O   HA    LYS+ 106 - HN    VAL  107   2.18 +/- 0.01 100.000% *100.0000% (0.98   4.25  21.66) = 100.000%  kept
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.66, residual support = 54.4:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  99.809% * 98.5971% (0.95   3.66  54.44) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.45 +/- 0.20   0.179% *  0.0999% (0.18   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  14.35 +/- 0.32   0.007% *  0.5690% (1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  17.56 +/- 0.51   0.002% *  0.5395% (0.95   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  16.67 +/- 0.60   0.003% *  0.1945% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 60.3:
          QD    PHE   97 - HN    ASP- 105   4.07 +/- 0.12  99.995% * 99.6150% (0.87   5.82  60.31) = 100.000%  kept
          HZ3   TRP   87 - HN    ASP- 105  22.82 +/- 0.84   0.003% *  0.3159% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    ASP- 105  26.65 +/- 0.79   0.001% *  0.0691% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 0.25, support = 0.0194, residual support = 0.0194:
          HA    THR   94 - HN    GLY  109   3.01 +/- 0.26  97.886% * 19.2756% (0.26   0.02   0.02) =  97.218%  kept
          HA    MET   92 - HN    GLY  109   5.87 +/- 0.73   2.099% * 25.3346% (0.34   0.02   0.02) =   2.740%
          HA    LYS+  74 - HN    GLY  109  13.19 +/- 0.33   0.015% * 55.3898% (0.74   0.02   0.02) =   0.042%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.557, support = 2.16, residual support = 8.49:
      O   HA1   GLY  109 - HN    GLY  109   2.25 +/- 0.01  47.087% * 57.4510% (0.73   1.76   9.39) =  55.969%  kept
      O   HA    VAL  108 - HN    GLY  109   2.21 +/- 0.03  52.909% * 40.2237% (0.34   2.66   7.35) =  44.031%  kept
          HA    CYS   50 - HN    GLY  109  12.44 +/- 0.43   0.002% *  0.6623% (0.74   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  12.26 +/- 0.43   0.002% *  0.3825% (0.43   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  16.97 +/- 0.35   0.000% *  0.5861% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  19.73 +/- 0.49   0.000% *  0.4641% (0.52   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  18.19 +/- 0.37   0.000% *  0.2305% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.04, residual support = 9.11:
          HN    LYS+ 111 - HN    ALA  110   3.98 +/- 0.08  98.038% * 97.3106% (0.90   3.04   9.11) =  99.986%  kept
          HN    ILE   56 - HN    ALA  110   7.72 +/- 0.31   1.900% *  0.6991% (0.98   0.02   5.94) =   0.014%
          HN    LEU   63 - HN    ALA  110  14.92 +/- 0.30   0.036% *  0.6584% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  17.55 +/- 0.95   0.014% *  0.6396% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  19.59 +/- 1.49   0.008% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  21.73 +/- 0.44   0.004% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  30.39 +/- 1.24   0.001% *  0.3472% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 2.07, residual support = 6.47:
      O   HA1   GLY  109 - HN    ALA  110   2.50 +/- 0.10  99.585% * 95.5707% (0.69   2.07   6.47) =  99.995%  kept
          HA    VAL  108 - HN    ALA  110   6.38 +/- 0.03   0.372% *  1.0777% (0.80   0.02   0.02) =   0.004%
          HA    CYS   50 - HN    ALA  110   9.91 +/- 0.42   0.029% *  0.9773% (0.73   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ALA  110  11.55 +/- 0.28   0.011% *  1.2070% (0.90   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  14.66 +/- 0.45   0.003% *  0.7081% (0.53   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  20.84 +/- 0.27   0.000% *  0.4591% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.74, residual support = 9.58:
      O   HA    ALA  110 - HN    ALA  110   2.84 +/- 0.04  99.586% * 88.1192% (0.18   2.74   9.59) =  99.988%  kept
          HA    ALA   91 - HN    ALA  110   8.68 +/- 0.49   0.129% *  3.6692% (1.00   0.02   0.02) =   0.005%
          HA    VAL  107 - HN    ALA  110   8.74 +/- 0.07   0.116% *  3.4786% (0.95   0.02   0.02) =   0.005%
          HA    PRO   52 - HN    ALA  110   8.44 +/- 0.69   0.168% *  1.2544% (0.34   0.02   0.02) =   0.002%
          HA    TRP   27 - HN    ALA  110  21.19 +/- 0.34   0.001% *  3.4786% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 5.45, residual support = 25.7:
        T HN    LYS+ 112 - HN    LYS+ 111   4.04 +/- 0.08  99.839% * 99.3326% (0.99   5.45  25.73) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  12.35 +/- 0.21   0.124% *  0.0728% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  17.44 +/- 0.29   0.016% *  0.2082% (0.57   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  16.50 +/- 0.23   0.022% *  0.0567% (0.15   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  37.82 +/- 2.31   0.000% *  0.3297% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.11:
        T HN    ALA  110 - HN    LYS+ 111   3.98 +/- 0.08  99.530% * 99.3807% (1.00   3.04   9.11) =  99.997%  kept
          HN    PHE   45 - HN    LYS+ 111   9.77 +/- 0.31   0.470% *  0.6193% (0.95   0.02   0.02) =   0.003%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.889, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  10.08 +/- 0.45  63.108% * 58.2608% (1.00   0.02   0.02) =  82.627%  kept
          HD2   HIS  122 - HN    LYS+ 111  12.24 +/- 0.31  20.037% * 21.8659% (0.38   0.02   0.02) =   9.846%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.64 +/- 0.47  16.855% * 19.8732% (0.34   0.02   0.02) =   7.527%  kept
    Distance limit 4.70 A violated in 20 structures by 4.62 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.11:
      O   HA    ALA  110 - HN    LYS+ 111   2.40 +/- 0.05  99.621% * 95.7618% (0.45   3.04   9.11) =  99.995%  kept
          HA    VAL  107 - HN    LYS+ 111   6.19 +/- 0.25   0.354% *  1.3551% (0.97   0.02   0.47) =   0.005%
          HA    ALA   91 - HN    LYS+ 111  12.23 +/- 0.43   0.006% *  1.2180% (0.87   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LYS+ 111  10.16 +/- 0.30   0.018% *  0.2779% (0.20   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  16.04 +/- 0.79   0.001% *  0.4790% (0.34   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  21.82 +/- 0.41   0.000% *  0.9083% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.21, residual support = 25.7:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.29 +/- 0.04  99.984% * 99.4682% (0.53   7.21  25.73) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.91 +/- 0.36   0.016% *  0.2968% (0.57   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  16.73 +/- 0.32   0.001% *  0.2350% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 3.8, residual support = 20.0:
        T HN    GLU- 114 - HN    ASP- 113   2.51 +/- 0.09  97.062% * 98.5940% (0.81   3.80  19.98) =  99.985%  kept
          HN    GLN  116 - HN    ASP- 113   4.55 +/- 0.12   2.804% *  0.4923% (0.76   0.02   1.50) =   0.014%
          HN    THR  118 - HN    ASP- 113   7.63 +/- 0.19   0.126% *  0.3551% (0.55   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  12.30 +/- 0.24   0.007% *  0.2257% (0.35   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  23.33 +/- 0.43   0.000% *  0.3329% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 3.8, residual support = 20.0:
        T HN    ASP- 113 - HN    GLU- 114   2.51 +/- 0.09 100.000% *100.0000% (1.00   3.80  19.98) = 100.000%  kept
    Distance limit 3.22 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 = 0.965, support = 3.78, residual support = 38.9:
      O   HA    GLU- 114 - HN    GLU- 114   2.82 +/- 0.02  97.084% * 97.9505% (0.97   3.79  38.88) =  99.991%  kept
          HA    LEU  115 - HN    GLU- 114   5.07 +/- 0.10   2.903% *  0.2821% (0.53   0.02  17.69) =   0.009%
          HA    CYS   53 - HN    GLU- 114  12.55 +/- 0.36   0.013% *  0.1655% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  23.71 +/- 0.78   0.000% *  0.4652% (0.87   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  25.89 +/- 0.75   0.000% *  0.3684% (0.69   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.42 +/- 0.72   0.000% *  0.2610% (0.49   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  30.21 +/- 0.57   0.000% *  0.5073% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 2.08, residual support = 5.43:
          HA    LYS+ 111 - HN    ASP- 113   3.22 +/- 0.05  99.875% * 99.1585% (0.74   2.08   5.43) = 100.000%  kept
          HA    VAL  108 - HN    ASP- 113  10.54 +/- 0.50   0.085% *  0.2741% (0.21   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASP- 113  12.16 +/- 0.66   0.037% *  0.3749% (0.29   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ASP- 113  19.12 +/- 0.26   0.002% *  0.1925% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.19, residual support = 13.6:
      O   HA    ASP- 113 - HN    ASP- 113   2.82 +/- 0.02  99.871% * 97.9670% (0.85   3.19  13.57) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   8.97 +/- 0.30   0.097% *  0.3735% (0.52   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  10.99 +/- 0.34   0.029% *  0.3735% (0.52   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  17.65 +/- 0.15   0.002% *  0.2997% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.55 +/- 0.57   0.000% *  0.4930% (0.68   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  28.32 +/- 0.74   0.000% *  0.3983% (0.55   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  24.66 +/- 1.34   0.000% *  0.0950% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.856, support = 7.02, residual support = 68.1:
        T HN    GLN  116 - HN    LEU  115   2.71 +/- 0.08  38.324% * 70.3330% (0.99   8.18 100.83) =  60.647%  kept
          HN    GLU- 114 - HN    LEU  115   2.51 +/- 0.11  59.691% * 29.2955% (0.65   5.22  17.69) =  39.345%  kept
          HN    THR  118 - HN    LEU  115   4.46 +/- 0.13   1.967% *  0.1640% (0.95   0.02   0.46) =   0.007%
          HN    PHE   60 - HN    LEU  115   9.82 +/- 0.31   0.018% *  0.1325% (0.76   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.72 +/- 0.60   0.000% *  0.0482% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  26.32 +/- 0.89   0.000% *  0.0268% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 8.18, residual support = 100.8:
        T HN    LEU  115 - HN    GLN  116   2.71 +/- 0.08  99.994% * 99.6632% (0.98   8.18 100.83) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.89 +/- 0.46   0.006% *  0.2435% (0.98   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  34.32 +/- 1.68   0.000% *  0.0933% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 4.82, residual support = 19.8:
        T HN    SER  117 - HN    GLN  116   2.77 +/- 0.02 100.000% * 99.5721% (0.97   4.82  19.84) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  22.64 +/- 0.64   0.000% *  0.3431% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  29.68 +/- 0.90   0.000% *  0.0848% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.964, support = 3.67, residual support = 11.0:
        T HN    THR  118 - HN    SER  117   2.35 +/- 0.09  72.152% * 36.6051% (0.95   2.94   5.39) =  60.936%  kept
        T HN    GLN  116 - HN    SER  117   2.77 +/- 0.02  26.912% * 62.9090% (0.99   4.82  19.84) =  39.061%  kept
          HN    GLU- 114 - HN    SER  117   4.86 +/- 0.16   0.930% *  0.1705% (0.65   0.02   0.72) =   0.004%
        T HN    PHE   60 - HN    SER  117  11.70 +/- 0.31   0.005% *  0.2014% (0.76   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  20.07 +/- 0.43   0.000% *  0.0733% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  26.82 +/- 0.80   0.000% *  0.0407% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 2.57, residual support = 118.4:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.994% * 98.5641% (0.95   2.57 118.40) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.04 +/- 0.90   0.006% *  0.7833% (0.96   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  17.86 +/- 0.27   0.000% *  0.4270% (0.53   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  25.74 +/- 1.01   0.000% *  0.2257% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 2.57, residual support = 118.4:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.879% * 98.0676% (0.90   2.57 118.40) =  99.999%  kept
          HN    ALA  120 - HE22  GLN  116   5.66 +/- 1.03   0.116% *  0.8349% (0.98   0.02   0.29) =   0.001%
          HN    ALA  124 - HE22  GLN  116   9.26 +/- 1.18   0.005% *  0.1492% (0.18   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN  116  13.97 +/- 0.53   0.000% *  0.7115% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  29.21 +/- 1.80   0.000% *  0.2368% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 0.997, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.76 +/- 0.13  97.614% * 91.8913% (1.00   0.75   1.50) =  99.961%  kept
          HA    PHE   59 - HN    GLN  116   7.84 +/- 0.21   1.230% *  1.4896% (0.61   0.02   0.02) =   0.020%
          HA    ILE   56 - HN    GLN  116   8.04 +/- 0.37   1.097% *  1.4896% (0.61   0.02   0.02) =   0.018%
          HA    LEU  123 - HN    GLN  116  13.15 +/- 0.14   0.054% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  20.88 +/- 0.46   0.003% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  25.93 +/- 0.63   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  27.04 +/- 1.16   0.001% *  0.3789% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 6.99, residual support = 118.4:
      O   HA    GLN  116 - HN    GLN  116   2.73 +/- 0.01  99.997% * 98.6403% (1.00   6.99 118.40) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  20.08 +/- 0.41   0.001% *  0.2820% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  19.03 +/- 0.44   0.001% *  0.1937% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  21.46 +/- 0.77   0.000% *  0.0703% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  21.18 +/- 0.61   0.000% *  0.0558% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  29.01 +/- 0.49   0.000% *  0.2447% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  27.44 +/- 0.82   0.000% *  0.1373% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  30.29 +/- 0.44   0.000% *  0.2048% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  31.67 +/- 0.94   0.000% *  0.1711% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.968, support = 7.72, residual support = 214.2:
      O   HA    LEU  115 - HN    LEU  115   2.79 +/- 0.02  81.778% * 70.1698% (1.00   7.97 232.31) =  91.557%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.03  18.213% * 29.0526% (0.65   5.09  17.69) =   8.443%  kept
          HA    ARG+  54 - HN    LEU  115  13.86 +/- 0.28   0.005% *  0.1142% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  15.96 +/- 0.42   0.002% *  0.0929% (0.53   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.54 +/- 0.75   0.000% *  0.1414% (0.80   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  23.95 +/- 0.68   0.000% *  0.1670% (0.95   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  24.84 +/- 0.68   0.000% *  0.1766% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  25.10 +/- 1.12   0.000% *  0.0309% (0.18   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  28.46 +/- 0.58   0.000% *  0.0545% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 3.21, residual support = 15.0:
      O   HA    SER  117 - HN    SER  117   2.85 +/- 0.02  99.994% * 96.5454% (0.38   3.21  15.02) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  14.37 +/- 0.33   0.006% *  1.5140% (0.95   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  29.65 +/- 0.56   0.000% *  1.2231% (0.76   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  32.68 +/- 1.03   0.000% *  0.7175% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.77, residual support = 48.1:
        T HN    ILE  119 - HN    ALA  120   2.81 +/- 0.06  99.999% * 99.0769% (0.83   5.77  48.07) = 100.000%  kept
          HN    SER   37 - HN    ALA  120  24.98 +/- 0.43   0.000% *  0.3695% (0.89   0.02   0.02) =   0.000%
        T HN    CYS   21 - HN    ALA  120  23.26 +/- 0.59   0.000% *  0.1716% (0.41   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  29.23 +/- 0.63   0.000% *  0.3820% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.76, residual support = 48.3:
          HN    HIS  122 - HN    LYS+ 121   2.80 +/- 0.19  99.029% * 99.4568% (0.80   6.76  48.27) =  99.999%  kept
          QE    PHE   59 - HN    LYS+ 121   6.16 +/- 0.40   0.954% *  0.0733% (0.20   0.02   0.02) =   0.001%
          HN    PHE   59 - HN    LYS+ 121  12.12 +/- 0.21   0.016% *  0.1784% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  30.39 +/- 1.28   0.000% *  0.2915% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.257, support = 5.89, residual support = 38.5:
          HN    LEU  123 - HN    HIS  122   2.19 +/- 0.24  98.926% * 99.5815% (0.26   5.89  38.54) =  99.999%  kept
          HN    ALA  124 - HN    HIS  122   4.66 +/- 0.37   1.074% *  0.1161% (0.09   0.02   0.02) =   0.001%
          HE21  GLN   17 - HN    HIS  122  20.53 +/- 1.00   0.000% *  0.1588% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  28.39 +/- 0.71   0.000% *  0.1437% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 5.89, residual support = 38.5:
          HN    HIS  122 - HN    LEU  123   2.19 +/- 0.24  99.943% * 99.1373% (0.87   5.89  38.54) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   7.97 +/- 0.89   0.054% *  0.2041% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  12.92 +/- 0.36   0.003% *  0.3479% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  33.35 +/- 1.12   0.000% *  0.3106% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 4.63, residual support = 14.9:
      O   HA    LEU  123 - HN    ALA  124   3.62 +/- 0.02  99.930% * 97.9308% (1.00   4.63  14.92) = 100.000%  kept
          HA    ASP- 113 - HN    ALA  124  14.31 +/- 0.36   0.026% *  0.2401% (0.57   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  16.49 +/- 0.36   0.011% *  0.4203% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  18.32 +/- 0.33   0.006% *  0.3803% (0.90   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  16.73 +/- 0.41   0.010% *  0.2064% (0.49   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.28 +/- 0.44   0.012% *  0.1446% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  23.80 +/- 0.50   0.001% *  0.4157% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  22.32 +/- 0.85   0.002% *  0.1309% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  26.69 +/- 1.81   0.001% *  0.1309% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 1.91, residual support = 9.44:
      O   HA    ALA  124 - HN    ALA  124   2.80 +/- 0.20  99.977% * 96.0890% (1.00   1.91   9.44) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  11.59 +/- 0.18   0.021% *  0.4529% (0.45   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  22.02 +/- 0.40   0.000% *  0.9749% (0.97   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  22.32 +/- 0.52   0.000% *  0.3118% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  27.35 +/- 0.50   0.000% *  0.6939% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  22.68 +/- 0.26   0.000% *  0.1769% (0.18   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  28.27 +/- 0.51   0.000% *  0.4917% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  35.37 +/- 1.01   0.000% *  0.8089% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 4.8, residual support = 38.5:
      O   HA    HIS  122 - HN    LEU  123   3.46 +/- 0.08  99.985% * 99.4614% (1.00   4.80  38.54) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  15.85 +/- 0.46   0.011% *  0.3319% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.76 +/- 0.33   0.002% *  0.1034% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  23.10 +/- 0.31   0.001% *  0.1034% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 6.18, residual support = 203.6:
      O   HA    LEU  123 - HN    LEU  123   2.89 +/- 0.03  99.967% * 98.4420% (1.00   6.18 203.56) = 100.000%  kept
          HA    ILE   56 - HN    LEU  123  14.53 +/- 0.30   0.006% *  0.3165% (0.99   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  13.87 +/- 0.27   0.008% *  0.1808% (0.57   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  14.47 +/- 0.42   0.006% *  0.1554% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    LEU  123  16.24 +/- 0.37   0.003% *  0.2864% (0.90   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  14.17 +/- 0.45   0.007% *  0.1089% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  21.61 +/- 0.54   0.001% *  0.3130% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  19.85 +/- 0.88   0.001% *  0.0986% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  24.52 +/- 1.68   0.000% *  0.0986% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 6.43, residual support = 71.9:
          HD2   HIS  122 - HN    HIS  122   2.67 +/- 0.34  99.936% * 97.1123% (0.11   6.43  71.94) = 100.000%  kept
          HE22  GLN  116 - HN    HIS  122   9.68 +/- 1.10   0.063% *  0.3336% (0.12   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    HIS  122  21.83 +/- 0.83   0.000% *  0.9585% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  28.89 +/- 0.60   0.000% *  0.8483% (0.31   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  31.21 +/- 1.27   0.000% *  0.7473% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 5.12, residual support = 71.9:
      O   HA    HIS  122 - HN    HIS  122   2.89 +/- 0.05  99.991% * 99.2737% (0.30   5.12  71.94) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  14.22 +/- 0.57   0.007% *  0.4634% (0.35   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.85 +/- 0.39   0.001% *  0.2629% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.537, support = 5.81, residual support = 259.3:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.74 +/- 0.03  81.329% * 49.2685% (0.49   6.22 314.58) =  82.306%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.54 +/- 0.01  17.494% * 49.2378% (0.77   3.91   2.35) =  17.693%  kept
          QB    SER  117 - HN    LYS+ 121   5.58 +/- 0.24   1.171% *  0.0726% (0.22   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    LYS+ 121  15.07 +/- 0.47   0.003% *  0.2343% (0.72   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.72 +/- 0.28   0.002% *  0.1794% (0.55   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  18.90 +/- 0.73   0.001% *  0.2471% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  24.41 +/- 0.61   0.000% *  0.2092% (0.64   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.86 +/- 0.39   0.000% *  0.0806% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  24.10 +/- 0.35   0.000% *  0.1374% (0.42   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  30.53 +/- 0.68   0.000% *  0.2471% (0.76   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  24.99 +/- 0.56   0.000% *  0.0457% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  31.54 +/- 0.44   0.000% *  0.0403% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.739, support = 3.58, residual support = 11.8:
      O   HA    ALA  120 - HN    ALA  120   2.78 +/- 0.04  95.599% * 95.8859% (0.74   3.58  11.84) =  99.991%  kept
          HA    LYS+ 121 - HN    ALA  120   5.13 +/- 0.11   2.458% *  0.2508% (0.35   0.02   2.35) =   0.007%
          QB    SER  117 - HN    ALA  120   5.34 +/- 0.11   1.935% *  0.0904% (0.12   0.02   5.88) =   0.002%
          HA    LYS+  65 - HN    ALA  120  15.01 +/- 0.58   0.004% *  0.6667% (0.92   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  19.34 +/- 0.77   0.001% *  0.6667% (0.92   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  17.10 +/- 0.34   0.002% *  0.2996% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.76 +/- 0.42   0.001% *  0.3515% (0.49   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  23.97 +/- 0.69   0.000% *  0.3783% (0.52   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  22.77 +/- 0.41   0.000% *  0.2062% (0.28   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  30.61 +/- 0.71   0.000% *  0.6667% (0.92   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.79 +/- 0.50   0.000% *  0.2279% (0.31   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  24.71 +/- 0.76   0.000% *  0.1031% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  31.46 +/- 0.49   0.000% *  0.2062% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.52, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.321, support = 3.3, residual support = 118.4:
      O   HG2   GLN  116 - HE22  GLN  116   3.67 +/- 0.11  66.537% * 38.3449% (0.25   3.37 118.40) =  55.969%  kept
      O   HG3   GLN  116 - HE22  GLN  116   4.12 +/- 0.15  33.441% * 60.0192% (0.41   3.20 118.40) =  44.030%  kept
          HB3   PHE   95 - HE22  GLN  116  14.05 +/- 0.34   0.021% *  0.2816% (0.31   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE22  GLN  116  31.12 +/- 1.22   0.000% *  0.4441% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HE22  GLN  116  36.20 +/- 0.69   0.000% *  0.9103% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.6, residual support = 14.9:
          HB2   LEU  123 - HN    ALA  124   2.08 +/- 0.08  99.900% * 96.5216% (0.76   4.60  14.92) = 100.000%  kept
          HB2   LYS+ 121 - HN    ALA  124   6.63 +/- 0.12   0.098% *  0.3992% (0.73   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA  124  15.20 +/- 0.70   0.001% *  0.4201% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  18.90 +/- 1.18   0.000% *  0.5200% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  18.16 +/- 0.70   0.000% *  0.2676% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  20.78 +/- 0.93   0.000% *  0.5200% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  22.51 +/- 0.29   0.000% *  0.4402% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  22.34 +/- 0.68   0.000% *  0.1371% (0.25   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  24.56 +/- 1.09   0.000% *  0.2063% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  22.40 +/- 0.76   0.000% *  0.1088% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  34.33 +/- 1.20   0.000% *  0.4592% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.91, residual support = 9.44:
      O   QB    ALA  124 - HN    ALA  124   2.32 +/- 0.30  99.988% * 87.7575% (0.65   1.91   9.44) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.28 +/- 0.48   0.006% *  0.5341% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  16.41 +/- 0.29   0.001% *  1.2343% (0.87   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  16.00 +/- 0.44   0.001% *  0.8056% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  16.51 +/- 0.86   0.001% *  0.8056% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  17.25 +/- 0.27   0.001% *  1.0875% (0.76   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  19.20 +/- 0.78   0.000% *  1.0875% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  20.23 +/- 0.28   0.000% *  1.2762% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  18.80 +/- 0.85   0.000% *  0.6926% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  21.10 +/- 1.12   0.000% *  0.9775% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.67 +/- 0.85   0.000% *  0.9205% (0.65   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  27.86 +/- 0.57   0.000% *  1.2343% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  26.68 +/- 1.61   0.000% *  0.6926% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  25.16 +/- 1.49   0.000% *  0.2492% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  27.20 +/- 0.51   0.000% *  0.2492% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  32.70 +/- 0.94   0.000% *  0.3956% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.991, support = 5.86, residual support = 31.6:
          HA    ALA  120 - HN    LEU  123   2.66 +/- 0.22  90.955% * 97.8697% (0.99   5.86  31.57) =  99.971%  kept
          HA    LYS+ 121 - HN    LEU  123   4.10 +/- 0.22   8.959% *  0.2817% (0.84   0.02   2.19) =   0.028%
          QB    SER  117 - HN    LEU  123   8.83 +/- 0.16   0.075% *  0.1641% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.06 +/- 0.66   0.007% *  0.2316% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  16.69 +/- 0.90   0.002% *  0.2577% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  19.28 +/- 0.30   0.001% *  0.3024% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  25.50 +/- 0.74   0.000% *  0.3254% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  25.69 +/- 0.37   0.000% *  0.2577% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.90 +/- 0.35   0.000% *  0.0520% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  32.53 +/- 0.65   0.000% *  0.2577% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.991, support = 5.29, residual support = 38.5:
          HB3   HIS  122 - HN    LEU  123   3.42 +/- 0.47  96.413% * 99.3692% (0.99   5.29  38.54) =  99.989%  kept
          QE    LYS+ 121 - HN    LEU  123   7.03 +/- 0.78   3.586% *  0.2896% (0.76   0.02   2.19) =   0.011%
          HG2   GLN   30 - HN    LEU  123  24.91 +/- 0.65   0.001% *  0.1054% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.24 +/- 0.77   0.000% *  0.1845% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  28.47 +/- 0.58   0.000% *  0.0513% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.82, residual support = 203.6:
          HG    LEU  123 - HN    LEU  123   3.42 +/- 0.10  97.016% * 96.8058% (0.76   5.82 203.56) =  99.997%  kept
          QB    LYS+  66 - HN    LEU  123   6.30 +/- 0.58   2.777% *  0.0861% (0.20   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    LEU  123  10.42 +/- 0.33   0.125% *  0.3325% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU  123  13.11 +/- 0.80   0.032% *  0.3774% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU  123  14.38 +/- 0.26   0.018% *  0.1951% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  17.31 +/- 0.37   0.006% *  0.3634% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  17.39 +/- 0.62   0.006% *  0.2118% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  17.45 +/- 0.55   0.006% *  0.1484% (0.34   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  15.83 +/- 0.28   0.010% *  0.0589% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  21.26 +/- 0.55   0.002% *  0.3325% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  21.00 +/- 0.86   0.002% *  0.2815% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  22.24 +/- 0.70   0.001% *  0.3484% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  30.16 +/- 0.71   0.000% *  0.2463% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  31.02 +/- 1.12   0.000% *  0.2118% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 6.24, residual support = 203.6:
      O   HB2   LEU  123 - HN    LEU  123   2.38 +/- 0.08  98.956% * 97.4158% (0.76   6.24 203.56) =  99.997%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.16 +/- 0.27   1.038% *  0.2966% (0.73   0.02   2.19) =   0.003%
          QD    LYS+  65 - HN    LEU  123  13.33 +/- 0.63   0.003% *  0.3121% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  17.77 +/- 1.09   0.001% *  0.3863% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  19.29 +/- 1.03   0.000% *  0.3863% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.23 +/- 0.69   0.001% *  0.1988% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  20.45 +/- 0.38   0.000% *  0.3270% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.59 +/- 0.70   0.000% *  0.1018% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.69 +/- 0.80   0.000% *  0.0808% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  22.50 +/- 1.04   0.000% *  0.1533% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  31.86 +/- 1.13   0.000% *  0.3411% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.7, residual support = 203.6:
          QD1   LEU  123 - HN    LEU  123   2.08 +/- 0.16  98.383% * 98.8654% (0.90   6.70 203.56) =  99.999%  kept
          QD2   LEU  123 - HN    LEU  123   4.16 +/- 0.09   1.574% *  0.0507% (0.15   0.02 203.56) =   0.001%
          QG1   VAL   70 - HN    LEU  123   9.25 +/- 0.56   0.014% *  0.2259% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU  123  10.75 +/- 0.35   0.006% *  0.3260% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   8.67 +/- 0.62   0.022% *  0.0507% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  14.79 +/- 1.36   0.001% *  0.1862% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  16.39 +/- 0.71   0.000% *  0.2950% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (3.45, 7.46, 121.46 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 38.5:
          HB2   HIS  122 - HN    LEU  123   4.15 +/- 0.14  99.912% * 99.3266% (1.00   5.29  38.54) = 100.000%  kept
          HA    LYS+ 112 - HN    LEU  123  13.67 +/- 0.33   0.080% *  0.3367% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HN    LEU  123  19.87 +/- 0.46   0.008% *  0.3367% (0.90   0.02   0.02) =   0.000%
    Distance limit 5.10 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 = 0.271, support = 5.94, residual support = 24.4:
          HA    ALA  120 - HN    HIS  122   3.66 +/- 0.46  46.156% * 55.3340% (0.33   5.18   2.74) =  52.443%  kept
      O   HA    LYS+ 121 - HN    HIS  122   3.52 +/- 0.05  53.394% * 43.3748% (0.20   6.78  48.27) =  47.556%  kept
          QB    SER  117 - HN    HIS  122   7.97 +/- 0.15   0.411% *  0.0563% (0.09   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  12.77 +/- 0.53   0.026% *  0.2086% (0.33   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  16.38 +/- 0.87   0.006% *  0.2180% (0.34   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  17.22 +/- 0.37   0.004% *  0.1462% (0.23   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  24.10 +/- 0.73   0.001% *  0.1727% (0.27   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  22.46 +/- 0.39   0.001% *  0.0771% (0.12   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  24.44 +/- 0.34   0.000% *  0.1100% (0.17   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  23.51 +/- 0.60   0.001% *  0.0447% (0.07   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  30.76 +/- 0.63   0.000% *  0.2180% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  32.18 +/- 0.48   0.000% *  0.0396% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.261, support = 2.88, residual support = 6.85:
          HA    ILE  119 - HN    HIS  122   3.82 +/- 0.27  83.933% * 48.3107% (0.27   2.73   7.66) =  83.329%  kept
          HA    THR  118 - HN    HIS  122   5.13 +/- 0.21  16.022% * 50.6319% (0.21   3.61   2.77) =  16.671%  kept
          HD3   PRO   58 - HN    HIS  122  14.10 +/- 0.32   0.033% *  0.1286% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  17.96 +/- 0.38   0.008% *  0.1427% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  22.06 +/- 0.54   0.002% *  0.2433% (0.19   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  28.72 +/- 0.52   0.000% *  0.3177% (0.24   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  29.18 +/- 0.68   0.000% *  0.2251% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 5.85, residual support = 71.9:
      O   HB2   HIS  122 - HN    HIS  122   3.62 +/- 0.05  97.377% * 98.6150% (0.11   5.85  71.94) =  99.995%  kept
          HA    LEU   63 - HN    HIS  122   6.75 +/- 0.51   2.565% *  0.1914% (0.06   0.02   0.02) =   0.005%
          HA    LYS+ 112 - HN    HIS  122  12.56 +/- 0.31   0.057% *  0.6187% (0.20   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  28.22 +/- 0.64   0.000% *  0.5749% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.326, support = 5.91, residual support = 71.9:
      O   HB3   HIS  122 - HN    HIS  122   2.53 +/- 0.11  99.115% * 99.4791% (0.33   5.91  71.94) =  99.998%  kept
          QE    LYS+ 121 - HN    HIS  122   6.01 +/- 0.60   0.884% *  0.2211% (0.21   0.02  48.27) =   0.002%
          HB3   ASP-  78 - HN    HIS  122  27.47 +/- 0.73   0.000% *  0.2359% (0.23   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  23.41 +/- 0.62   0.000% *  0.0639% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.317, support = 7.08, residual support = 47.2:
          HB2   LYS+ 121 - HN    HIS  122   3.44 +/- 0.40  75.596% * 71.9214% (0.33   7.29  48.27) =  89.236%  kept
          HB2   LEU  123 - HN    HIS  122   4.29 +/- 0.25  24.325% * 26.9601% (0.17   5.31  38.54) =  10.764%  kept
          QD    LYS+  65 - HN    HIS  122  13.31 +/- 0.51   0.025% *  0.2012% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  16.35 +/- 1.00   0.008% *  0.1514% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  18.33 +/- 0.95   0.004% *  0.2066% (0.35   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.22 +/- 0.23   0.017% *  0.0365% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  15.84 +/- 0.70   0.009% *  0.0520% (0.09   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  18.04 +/- 0.74   0.004% *  0.0857% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  18.80 +/- 0.40   0.003% *  0.1097% (0.19   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  16.36 +/- 0.42   0.007% *  0.0322% (0.05   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  20.58 +/- 1.04   0.002% *  0.0365% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  29.79 +/- 1.14   0.000% *  0.2066% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.335, support = 6.51, residual support = 48.3:
          HB3   LYS+ 121 - HN    HIS  122   3.40 +/- 0.41  86.745% * 68.7109% (0.35   6.49  48.27) =  94.140%  kept
          HD2   LYS+ 121 - HN    HIS  122   5.42 +/- 0.94  12.231% * 30.3168% (0.15   6.82  48.27) =   5.857%  kept
          QD    LYS+  66 - HN    HIS  122   7.68 +/- 0.81   0.906% *  0.1731% (0.28   0.02   0.02) =   0.002%
          HG    LEU  104 - HN    HIS  122  11.46 +/- 0.51   0.064% *  0.2119% (0.35   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    HIS  122  13.78 +/- 0.29   0.022% *  0.1995% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  13.54 +/- 0.75   0.026% *  0.0737% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  18.68 +/- 0.70   0.004% *  0.1939% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  21.91 +/- 0.51   0.001% *  0.0601% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  22.49 +/- 1.65   0.001% *  0.0601% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.39, residual support = 38.5:
          QD1   LEU  123 - HN    HIS  122   2.80 +/- 0.23  99.268% * 98.5055% (0.31   6.39  38.54) =  99.998%  kept
          HB3   LEU   63 - HN    HIS  122   7.26 +/- 0.56   0.411% *  0.2299% (0.23   0.02   0.02) =   0.001%
          QG1   VAL   70 - HN    HIS  122   8.43 +/- 0.59   0.192% *  0.3523% (0.35   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    HIS  122   9.10 +/- 0.47   0.111% *  0.1870% (0.19   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    HIS  122  13.70 +/- 1.37   0.010% *  0.3547% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    HIS  122  15.31 +/- 0.73   0.004% *  0.3083% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  15.43 +/- 0.41   0.004% *  0.0623% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.518, support = 2.34, residual support = 6.84:
          HA    THR  118 - HN    LYS+ 121   3.16 +/- 0.11  79.480% * 42.4777% (0.49   2.32   8.88) =  74.573%  kept
          HA    ILE  119 - HN    LYS+ 121   3.99 +/- 0.11  20.506% * 56.1389% (0.61   2.43   0.86) =  25.427%  kept
          HD3   PRO   58 - HN    LYS+ 121  14.09 +/- 0.23   0.010% *  0.1682% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  16.62 +/- 0.34   0.004% *  0.1867% (0.25   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  22.85 +/- 0.44   0.001% *  0.3183% (0.42   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  28.58 +/- 0.51   0.000% *  0.4156% (0.55   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  28.85 +/- 0.78   0.000% *  0.2945% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.758, support = 6.65, residual support = 314.6:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.31 +/- 0.45  98.225% * 98.1744% (0.76   6.65 314.58) =  99.997%  kept
          HB2   LEU  123 - HN    LYS+ 121   4.99 +/- 0.20   1.759% *  0.1519% (0.39   0.02   2.19) =   0.003%
          QD    LYS+  65 - HN    LYS+ 121  15.13 +/- 0.51   0.002% *  0.3011% (0.77   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  13.72 +/- 0.75   0.005% *  0.0778% (0.20   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  16.45 +/- 1.15   0.001% *  0.2266% (0.58   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  14.22 +/- 0.44   0.003% *  0.0481% (0.12   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.53 +/- 0.19   0.003% *  0.0546% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  19.75 +/- 0.84   0.000% *  0.3092% (0.79   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  18.15 +/- 0.28   0.001% *  0.1641% (0.42   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  18.83 +/- 0.61   0.001% *  0.1283% (0.33   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  19.75 +/- 1.08   0.000% *  0.0546% (0.14   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  29.76 +/- 1.27   0.000% *  0.3092% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.403, support = 4.18, residual support = 136.7:
          QB    ALA  120 - HN    LYS+ 121   2.90 +/- 0.05  88.354% * 14.4453% (0.22   2.90   2.35) =  56.963%  kept
          HD2   LYS+ 121 - HN    LYS+ 121   4.37 +/- 0.64  11.461% * 84.1359% (0.64   5.87 314.58) =  43.036%  kept
          QD    LYS+  66 - HN    LYS+ 121   9.67 +/- 0.81   0.074% *  0.1471% (0.33   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+ 121   9.10 +/- 0.45   0.095% *  0.0995% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  13.14 +/- 0.56   0.011% *  0.1742% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.52 +/- 0.72   0.004% *  0.3105% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  19.24 +/- 0.47   0.001% *  0.3571% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  23.16 +/- 0.43   0.000% *  0.3304% (0.74   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.774, support = 5.83, residual support = 314.6:
          HG2   LYS+ 121 - HN    LYS+ 121   3.85 +/- 0.12  93.544% * 99.0642% (0.77   5.83 314.58) =  99.993%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.15 +/- 0.07   5.689% *  0.0697% (0.16   0.02   0.86) =   0.004%
          QG2   VAL  107 - HN    LYS+ 121   8.70 +/- 0.39   0.733% *  0.3490% (0.79   0.02   0.02) =   0.003%
          HG13  ILE  103 - HN    LYS+ 121  15.05 +/- 0.33   0.027% *  0.2278% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  19.94 +/- 0.48   0.005% *  0.2278% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  23.18 +/- 0.48   0.002% *  0.0617% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 2.21, residual support = 2.19:
          QD1   LEU  123 - HN    LYS+ 121   4.41 +/- 0.09  89.159% * 96.6330% (0.72   2.21   2.19) =  99.970%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.60 +/- 0.18   7.990% *  0.1506% (0.12   0.02   2.19) =   0.014%
          HB3   LEU  104 - HN    LYS+ 121   9.77 +/- 0.37   0.786% *  0.9674% (0.79   0.02   0.02) =   0.009%
          QG1   VAL   70 - HN    LYS+ 121  10.43 +/- 0.39   0.518% *  0.6705% (0.55   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    LYS+ 121   8.92 +/- 0.56   1.450% *  0.1506% (0.12   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    LYS+ 121  14.96 +/- 1.26   0.068% *  0.5526% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LYS+ 121  16.97 +/- 0.76   0.029% *  0.8753% (0.72   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 4 structures by 0.04 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.09, residual support = 48.1:
          HB    ILE  119 - HN    ALA  120   2.76 +/- 0.14  99.965% * 97.5050% (0.90   5.09  48.07) = 100.000%  kept
          HB2   LYS+ 111 - HN    ALA  120  11.28 +/- 0.54   0.024% *  0.1206% (0.28   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  15.48 +/- 0.48   0.004% *  0.3264% (0.77   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  17.51 +/- 0.73   0.002% *  0.2370% (0.56   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  16.68 +/- 0.52   0.002% *  0.1752% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  18.51 +/- 0.41   0.001% *  0.2986% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  22.29 +/- 0.65   0.000% *  0.3899% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  24.00 +/- 0.52   0.000% *  0.3830% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  19.92 +/- 1.08   0.001% *  0.0974% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  20.61 +/- 0.71   0.001% *  0.0974% (0.23   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  25.76 +/- 0.81   0.000% *  0.3696% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 3.5, residual support = 11.8:
      O   QB    ALA  120 - HN    ALA  120   2.08 +/- 0.08  99.789% * 95.4516% (0.49   3.50  11.84) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   6.63 +/- 0.83   0.135% *  0.5457% (0.49   0.02   2.35) =   0.001%
          HG    LEU  115 - HN    ALA  120   7.50 +/- 0.48   0.053% *  0.5457% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   9.34 +/- 0.88   0.016% *  0.2053% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  10.94 +/- 0.70   0.005% *  0.1600% (0.14   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  15.02 +/- 0.50   0.001% *  0.7927% (0.71   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  15.03 +/- 0.89   0.001% *  0.6291% (0.56   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.41 +/- 0.62   0.000% *  0.9575% (0.85   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  23.84 +/- 0.53   0.000% *  0.7125% (0.63   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.486, support = 5.76, residual support = 48.1:
          QG2   ILE  119 - HN    ALA  120   2.58 +/- 0.23  99.894% * 96.6892% (0.49   5.76  48.07) =  99.999%  kept
          QD1   LEU   67 - HN    ALA  120   8.56 +/- 0.38   0.080% *  0.5112% (0.74   0.02   0.02) =   0.000%
          QD2   LEU   40 - HN    ALA  120  11.79 +/- 0.40   0.013% *  0.4879% (0.71   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    ALA  120  12.50 +/- 0.29   0.009% *  0.5725% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  15.45 +/- 0.91   0.003% *  0.4636% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  17.41 +/- 0.52   0.001% *  0.5332% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  20.41 +/- 0.79   0.000% *  0.6161% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  21.84 +/- 0.54   0.000% *  0.1263% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 2.63, residual support = 15.0:
      O   QB    SER  117 - HN    SER  117   2.23 +/- 0.08  99.902% * 82.4713% (0.25   2.63  15.02) =  99.998%  kept
          HA    ALA  120 - HN    SER  117   7.77 +/- 0.11   0.057% *  2.3765% (0.95   0.02   5.88) =   0.002%
          HA    LYS+ 121 - HN    SER  117   8.34 +/- 0.36   0.039% *  1.4223% (0.57   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER  117  14.80 +/- 0.42   0.001% *  1.6252% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  18.35 +/- 0.33   0.000% *  2.3191% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  18.18 +/- 0.53   0.000% *  0.8569% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  22.80 +/- 0.58   0.000% *  2.4245% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  20.73 +/- 0.53   0.000% *  1.2228% (0.49   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  22.86 +/- 0.53   0.000% *  1.9199% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  28.33 +/- 0.85   0.000% *  2.4245% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  28.00 +/- 0.73   0.000% *  0.4972% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  28.33 +/- 0.69   0.000% *  0.4400% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.38, support = 0.0199, residual support = 19.7:
          HG3   GLN  116 - HN    SER  117   5.28 +/- 0.11  41.432% * 19.6243% (0.49   0.02  19.84) =  63.411%  kept
          HG2   GLN  116 - HN    SER  117   5.00 +/- 0.04  57.703% *  7.9786% (0.20   0.02  19.84) =  35.906%  kept
          HB3   PHE   95 - HN    SER  117  10.16 +/- 0.51   0.862% * 10.0531% (0.25   0.02   0.02) =   0.676%
          HB3   TRP   87 - HN    SER  117  26.53 +/- 1.35   0.003% * 22.8255% (0.57   0.02   0.02) =   0.005%
          HG2   GLU-  25 - HN    SER  117  32.37 +/- 0.62   0.001% * 39.5185% (0.98   0.02   0.02) =   0.002%
    Distance limit 4.39 A violated in 18 structures by 0.18 A, eliminated.
    Peak unassigned.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.05, residual support = 19.8:
          HB2   GLN  116 - HN    SER  117   3.18 +/- 0.10  99.964% * 98.5207% (0.97   4.05  19.84) = 100.000%  kept
          HB3   PHE   97 - HN    SER  117  13.20 +/- 0.45   0.020% *  0.5046% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    SER  117  13.95 +/- 0.39   0.015% *  0.3664% (0.73   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.58 +/- 1.09   0.001% *  0.4526% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  24.66 +/- 0.57   0.000% *  0.1557% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.02, residual support = 118.4:
          HG2   GLN  116 - HN    GLN  116   3.35 +/- 0.13  99.793% * 99.4042% (0.73   7.02 118.40) =  99.999%  kept
          HB3   PHE   95 - HN    GLN  116   9.57 +/- 0.52   0.207% *  0.3125% (0.80   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HN    GLN  116  31.80 +/- 0.52   0.000% *  0.2834% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 118.4:
      O   HB2   GLN  116 - HN    GLN  116   2.07 +/- 0.02  99.996% * 99.1539% (0.98   7.63 118.40) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  11.79 +/- 0.40   0.003% *  0.1189% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  14.14 +/- 0.43   0.001% *  0.2379% (0.90   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  24.01 +/- 1.03   0.000% *  0.2653% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  23.47 +/- 0.55   0.000% *  0.1502% (0.57   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  27.29 +/- 0.73   0.000% *  0.0738% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.795, support = 7.43, residual support = 95.6:
          HB2   LEU  115 - HN    GLN  116   3.49 +/- 0.12  85.695% * 67.1899% (0.80   7.61 100.83) =  94.817%  kept
          QB    GLU- 114 - HN    GLN  116   5.05 +/- 0.26   9.847% * 31.9421% (0.69   4.22   0.21) =   5.180%  kept
          HB2   LYS+ 111 - HN    GLN  116   5.82 +/- 0.41   4.344% *  0.0340% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    GLN  116  10.96 +/- 0.47   0.093% *  0.1842% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLN  116  15.86 +/- 0.38   0.010% *  0.0907% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  20.45 +/- 0.49   0.002% *  0.1842% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  21.90 +/- 0.45   0.001% *  0.1686% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  18.19 +/- 0.77   0.004% *  0.0437% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  22.02 +/- 0.54   0.001% *  0.0437% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  22.64 +/- 0.93   0.001% *  0.0437% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  31.53 +/- 0.64   0.000% *  0.0752% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.766, support = 8.5, residual support = 100.8:
          HG    LEU  115 - HN    GLN  116   2.62 +/- 0.82  87.178% * 42.7128% (0.73   8.53 100.83) =  84.494%  kept
          HB3   LEU  115 - HN    GLN  116   4.13 +/- 0.08  12.074% * 56.5913% (0.98   8.37 100.83) =  15.505%  kept
          QB    ALA  120 - HN    GLN  116   6.72 +/- 0.23   0.713% *  0.1002% (0.73   0.02   0.29) =   0.002%
          HG    LEU   67 - HN    GLN  116  14.91 +/- 0.83   0.007% *  0.1380% (1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN  116  12.06 +/- 0.55   0.018% *  0.0518% (0.38   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  17.09 +/- 0.54   0.003% *  0.1352% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  18.32 +/- 0.58   0.002% *  0.0672% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  16.53 +/- 0.72   0.003% *  0.0307% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  21.66 +/- 0.79   0.001% *  0.0781% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  23.31 +/- 1.27   0.001% *  0.0948% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 7.61, residual support = 100.8:
          QD1   LEU  115 - HN    GLN  116   3.46 +/- 0.86  99.989% * 99.6304% (0.49   7.61 100.83) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  17.51 +/- 1.13   0.011% *  0.3696% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.0, residual support = 100.8:
          QD2   LEU  115 - HN    GLN  116   2.65 +/- 0.23  99.553% * 98.5891% (0.57  10.00 100.83) =  99.999%  kept
          QD1   LEU   63 - HN    GLN  116   7.23 +/- 0.41   0.267% *  0.3124% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN  116   7.97 +/- 0.71   0.171% *  0.2910% (0.84   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    GLN  116  14.56 +/- 0.42   0.004% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  18.94 +/- 0.31   0.001% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.65 +/- 0.42   0.002% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  16.48 +/- 1.06   0.002% *  0.0537% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  23.10 +/- 1.13   0.000% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  23.68 +/- 2.09   0.000% *  0.0537% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.725, support = 1.5, residual support = 14.8:
          QD1   ILE  119 - HN    GLN  116   4.48 +/- 0.25  88.767% * 95.8793% (0.73   1.50  14.85) =  99.905%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.53 +/- 0.49  10.658% *  0.6608% (0.38   0.02   0.02) =   0.083%
          QG2   VAL  108 - HN    GLN  116  10.73 +/- 0.44   0.517% *  1.7607% (1.00   0.02   0.02) =   0.011%
          HB2   LEU  104 - HN    GLN  116  15.31 +/- 0.44   0.059% *  1.6992% (0.97   0.02   0.02) =   0.001%
    Distance limit 5.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.17:
          HA    LYS+ 112 - HN    LEU  115   3.40 +/- 0.16  99.943% * 94.6610% (0.90   0.75   2.17) =  99.998%  kept
          HB2   HIS  122 - HN    LEU  115  13.32 +/- 0.16   0.029% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  13.47 +/- 0.52   0.028% *  2.5243% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.53 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 = 0.223, support = 5.24, residual support = 100.8:
          HB2   GLN  116 - HN    LEU  115   4.47 +/- 0.08  99.482% * 95.8165% (0.22   5.24 100.83) =  99.995%  kept
          HB2   PRO   58 - HN    LEU  115  12.63 +/- 0.19   0.198% *  1.3159% (0.80   0.02   0.02) =   0.003%
          HG2   PRO   52 - HN    LEU  115  13.43 +/- 0.69   0.144% *  0.7368% (0.45   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    LEU  115  13.17 +/- 0.59   0.163% *  0.5606% (0.34   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    LEU  115  22.19 +/- 0.68   0.007% *  0.2536% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    LEU  115  23.11 +/- 1.00   0.006% *  0.2536% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  31.11 +/- 0.59   0.001% *  1.0631% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.794, support = 7.28, residual support = 219.6:
      O   HB2   LEU  115 - HN    LEU  115   2.06 +/- 0.06  86.476% * 62.9970% (0.80   7.42 232.31) =  94.081%  kept
          QB    GLU- 114 - HN    LEU  115   3.15 +/- 0.43   9.473% * 36.1688% (0.69   4.97  17.69) =   5.917%  kept
          HB2   LYS+ 111 - HN    LEU  115   3.53 +/- 0.39   4.047% *  0.0327% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    LEU  115  11.62 +/- 0.29   0.003% *  0.1771% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.02 +/- 0.53   0.000% *  0.0872% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  21.26 +/- 0.52   0.000% *  0.1771% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.04 +/- 0.60   0.000% *  0.1620% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  17.84 +/- 0.80   0.000% *  0.0420% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  21.94 +/- 0.59   0.000% *  0.0420% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  22.64 +/- 1.08   0.000% *  0.0420% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  29.69 +/- 0.77   0.000% *  0.0723% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.864, support = 7.55, residual support = 232.3:
      O   HB3   LEU  115 - HN    LEU  115   3.36 +/- 0.07  46.778% * 56.7399% (0.98   7.52 232.31) =  54.101%  kept
          HG    LEU  115 - HN    LEU  115   3.34 +/- 0.53  53.003% * 42.4832% (0.73   7.60 232.31) =  45.898%  kept
          QB    ALA  120 - HN    LEU  115   8.33 +/- 0.19   0.190% *  0.1118% (0.73   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  15.31 +/- 0.81   0.005% *  0.1540% (1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  13.19 +/- 0.61   0.012% *  0.0578% (0.38   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  16.52 +/- 0.68   0.003% *  0.1510% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  17.89 +/- 0.72   0.002% *  0.0750% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.69 +/- 0.81   0.003% *  0.0343% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  20.32 +/- 0.93   0.001% *  0.0872% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.14 +/- 1.29   0.001% *  0.1058% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 1.15, residual support = 2.78:
          QG2   VAL  107 - HN    LEU  115   3.62 +/- 0.44  94.925% * 89.6431% (0.53   1.15   2.78) =  99.946%  kept
          HG13  ILE  119 - HN    LEU  115   7.79 +/- 0.17   1.163% *  2.1588% (0.73   0.02  12.36) =   0.029%
          HD3   LYS+ 112 - HN    LEU  115   6.49 +/- 0.69   3.749% *  0.4587% (0.15   0.02   2.17) =   0.020%
          HG2   LYS+ 121 - HN    LEU  115  11.12 +/- 0.36   0.138% *  2.2721% (0.76   0.02   0.02) =   0.004%
          QB    ALA   20 - HN    LEU  115  18.79 +/- 0.49   0.006% *  2.9664% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.33 +/- 0.59   0.018% *  0.4587% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  24.02 +/- 0.77   0.001% *  2.0422% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 2 structures by 0.03 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.1, residual support = 232.3:
          QD2   LEU  115 - HN    LEU  115   3.87 +/- 0.36  97.046% * 98.8287% (0.65   9.10 232.31) =  99.997%  kept
          QD1   LEU   63 - HN    LEU  115   7.14 +/- 0.47   2.861% *  0.1036% (0.31   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU  115  14.14 +/- 0.48   0.046% *  0.3012% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  15.40 +/- 0.93   0.029% *  0.1145% (0.34   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  17.71 +/- 0.44   0.012% *  0.1036% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  22.26 +/- 1.31   0.003% *  0.3177% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  21.35 +/- 1.13   0.004% *  0.2307% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 7.43, residual support = 232.3:
          QD1   LEU  115 - HN    LEU  115   3.52 +/- 0.54  99.983% * 99.6830% (0.80   7.43 232.31) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.87 +/- 1.06   0.017% *  0.3170% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 0.554, support = 6.77, residual support = 137.7:
      O   HB    ILE  103 - HN    ILE  103   2.10 +/- 0.05  93.140% * 38.5045% (0.53   6.76 137.73) =  89.836%  kept
          HG12  ILE  103 - HN    ILE  103   3.31 +/- 0.24   6.736% * 60.2347% (0.80   6.94 137.73) =  10.164%  kept
          QB    LYS+ 106 - HN    ILE  103   6.67 +/- 0.22   0.095% *  0.0429% (0.20   0.02   0.11) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   8.83 +/- 0.17   0.017% *  0.0971% (0.45   0.02   6.52) =   0.000%
          HB    VAL   41 - HN    ILE  103  10.21 +/- 1.37   0.010% *  0.1402% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.59 +/- 0.59   0.001% *  0.0739% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.40 +/- 0.38   0.000% *  0.0971% (0.45   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  20.58 +/- 0.35   0.000% *  0.2124% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  21.59 +/- 0.39   0.000% *  0.1227% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.97 +/- 0.85   0.000% *  0.2124% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.46 +/- 0.23   0.000% *  0.0482% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  28.15 +/- 0.37   0.000% *  0.1055% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  25.56 +/- 1.10   0.000% *  0.0482% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  26.83 +/- 0.65   0.000% *  0.0602% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 137.7:
          HG13  ILE  103 - HN    ILE  103   4.12 +/- 0.10  99.642% * 98.5492% (0.65   6.25 137.73) =  99.999%  kept
          QG2   VAL  107 - HN    ILE  103  12.27 +/- 0.23   0.145% *  0.4832% (0.99   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  103  13.67 +/- 0.51   0.078% *  0.4704% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  12.98 +/- 0.79   0.114% *  0.0854% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.90 +/- 0.32   0.008% *  0.3153% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  18.40 +/- 0.34   0.013% *  0.0965% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 1 structures by 0.02 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.708, support = 5.99, residual support = 137.7:
          QD1   ILE  103 - HN    ILE  103   2.82 +/- 0.72  73.753% * 27.9801% (0.45   5.62 137.73) =  52.844%  kept
          QG2   ILE  103 - HN    ILE  103   3.52 +/- 0.08  25.902% * 71.0909% (1.00   6.40 137.73) =  47.154%  kept
          QD2   LEU   40 - HN    ILE  103   7.22 +/- 0.30   0.320% *  0.2145% (0.97   0.02   0.02) =   0.002%
          QD1   LEU   67 - HN    ILE  103  11.87 +/- 0.46   0.017% *  0.2178% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  15.19 +/- 0.21   0.004% *  0.1258% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  17.24 +/- 0.47   0.002% *  0.0914% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  16.66 +/- 0.24   0.002% *  0.0618% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  21.43 +/- 0.42   0.000% *  0.2178% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.448, support = 7.42, residual support = 219.1:
          HG    LEU  104 - HN    LEU  104   2.82 +/- 0.36  99.231% * 97.6169% (0.45   7.43 219.07) =  99.997%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.98 +/- 0.50   0.668% *  0.4029% (0.69   0.02   0.02) =   0.003%
          HB3   LYS+ 121 - HN    LEU  104   9.60 +/- 0.67   0.091% *  0.2629% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LEU  104  16.66 +/- 1.63   0.004% *  0.5813% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LEU  104  15.30 +/- 0.62   0.005% *  0.3320% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  18.10 +/- 0.45   0.002% *  0.3557% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  24.23 +/- 0.94   0.000% *  0.4482% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.255, support = 7.18, residual support = 169.4:
      O   HB2   LEU  104 - HN    LEU  104   2.40 +/- 0.11  74.903% * 41.4490% (0.22   7.38 219.07) =  72.411%  kept
          QG2   ILE  103 - HN    LEU  104   2.99 +/- 0.12  20.658% * 57.2086% (0.34   6.65  39.17) =  27.564%  kept
          QD2   LEU   40 - HN    LEU  104   3.97 +/- 0.41   4.383% *  0.2454% (0.49   0.02   0.02) =   0.025%
          QD1   LEU   67 - HN    LEU  104   8.17 +/- 0.45   0.052% *  0.2261% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  13.72 +/- 0.27   0.002% *  0.2454% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  15.82 +/- 0.47   0.001% *  0.4998% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.64 +/- 0.46   0.000% *  0.1257% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.794, support = 7.83, residual support = 206.8:
          QD2   LEU  104 - HN    LEU  104   2.67 +/- 0.49  89.446% * 65.5309% (0.80   8.01 219.07) =  94.201%  kept
          QD1   LEU   98 - HN    LEU  104   4.14 +/- 0.47  10.541% * 34.2284% (0.69   4.88   6.99) =   5.799%  kept
          QD1   ILE   19 - HN    LEU  104  15.30 +/- 0.36   0.004% *  0.1322% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  13.86 +/- 0.80   0.006% *  0.0455% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  15.82 +/- 0.44   0.003% *  0.0631% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.687, support = 7.73, residual support = 60.3:
          HB2   PHE   97 - HN    ASP- 105   2.01 +/- 0.09  99.713% * 98.8585% (0.69   7.73  60.31) = 100.000%  kept
          QE    LYS+ 106 - HN    ASP- 105   6.05 +/- 0.89   0.233% *  0.0928% (0.25   0.02  20.35) =   0.000%
          QE    LYS+  99 - HN    ASP- 105   8.48 +/- 0.67   0.025% *  0.3339% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   8.20 +/- 0.56   0.027% *  0.1531% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  14.96 +/- 0.64   0.001% *  0.2409% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  16.58 +/- 0.60   0.000% *  0.2704% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  14.19 +/- 0.35   0.001% *  0.0504% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 5.4, residual support = 60.3:
          HB3   PHE   97 - HN    ASP- 105   2.90 +/- 0.23  99.930% * 98.6669% (0.90   5.40  60.31) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  10.38 +/- 0.91   0.061% *  0.4073% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  15.83 +/- 0.43   0.004% *  0.3993% (0.98   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  16.69 +/- 0.64   0.003% *  0.1133% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  19.92 +/- 0.73   0.001% *  0.2306% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  19.99 +/- 0.22   0.001% *  0.1826% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 4.56, residual support = 39.3:
      O   HB2   ASP- 105 - HN    ASP- 105   3.95 +/- 0.17  99.531% * 97.3874% (0.80   4.56  39.27) =  99.999%  kept
          HG12  ILE  119 - HN    ASP- 105  12.27 +/- 0.25   0.114% *  0.3666% (0.69   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  11.61 +/- 0.35   0.160% *  0.2598% (0.49   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.26 +/- 0.44   0.073% *  0.1484% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  13.22 +/- 0.68   0.078% *  0.1056% (0.20   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  18.59 +/- 1.29   0.011% *  0.5337% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  20.68 +/- 0.36   0.005% *  0.5231% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  17.20 +/- 1.48   0.017% *  0.0722% (0.14   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  21.41 +/- 0.54   0.004% *  0.3022% (0.57   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  22.45 +/- 0.88   0.003% *  0.1821% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.78 +/- 1.49   0.004% *  0.1188% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 0.79, support = 4.39, residual support = 37.0:
      O   HB3   ASP- 105 - HN    ASP- 105   3.18 +/- 0.11  84.702% * 41.4926% (0.76   4.35  39.27) =  87.819%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.69 +/- 0.14   8.588% * 56.6289% (0.98   4.63  20.35) =  12.153%  kept
          HB    ILE  103 - HN    ASP- 105   4.88 +/- 0.22   6.666% *  0.1713% (0.69   0.02   6.52) =   0.029%
          HB3   LYS+  38 - HN    ASP- 105  13.19 +/- 0.88   0.018% *  0.1811% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  15.63 +/- 0.52   0.006% *  0.2163% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  15.90 +/- 0.27   0.005% *  0.2163% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.10 +/- 0.35   0.005% *  0.1312% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP- 105  17.94 +/- 0.44   0.003% *  0.1613% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.28 +/- 0.25   0.003% *  0.0936% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  18.74 +/- 0.22   0.002% *  0.0555% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  24.60 +/- 1.02   0.000% *  0.2407% (0.97   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  23.47 +/- 0.39   0.001% *  0.1811% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  24.55 +/- 0.38   0.000% *  0.2302% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.521, support = 5.87, residual support = 30.0:
          HG    LEU  104 - HN    ASP- 105   4.70 +/- 0.23  65.514% * 51.8629% (0.45   6.70  34.31) =  69.440%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.33 +/- 0.29  31.825% * 46.9718% (0.69   3.96  20.35) =  30.551%  kept
          HB3   LYS+ 121 - HN    ASP- 105   8.20 +/- 0.51   2.457% *  0.1547% (0.45   0.02   0.02) =   0.008%
          HB3   LYS+ 111 - HN    ASP- 105  12.99 +/- 0.62   0.150% *  0.1954% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    ASP- 105  18.11 +/- 1.62   0.024% *  0.3421% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  17.24 +/- 0.43   0.027% *  0.2093% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  23.50 +/- 1.02   0.004% *  0.2638% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.319, support = 3.59, residual support = 11.6:
          QG2   ILE  103 - HN    ASP- 105   2.13 +/- 0.26  86.140% * 38.9980% (0.34   2.89   6.52) =  81.647%  kept
          HB2   LEU  104 - HN    ASP- 105   3.04 +/- 0.10  12.814% * 58.8958% (0.22   6.69  34.31) =  18.343%  kept
          QD2   LEU   40 - HN    ASP- 105   4.74 +/- 0.45   1.003% *  0.3851% (0.49   0.02   0.02) =   0.009%
          QD1   LEU   67 - HN    ASP- 105   7.99 +/- 0.45   0.039% *  0.3547% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105  12.26 +/- 0.23   0.003% *  0.3851% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  15.40 +/- 0.43   0.001% *  0.7841% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  18.05 +/- 0.48   0.000% *  0.1973% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.98, support = 3.61, residual support = 20.3:
          HB2   ASP- 105 - HN    LYS+ 106   2.87 +/- 0.22  99.709% * 97.6957% (0.98   3.61  20.35) =  99.999%  kept
          HB2   MET   96 - HN    LYS+ 106   7.95 +/- 0.19   0.241% *  0.1705% (0.31   0.02   2.27) =   0.000%
          HG12  ILE  119 - HN    LYS+ 106  10.77 +/- 0.22   0.040% *  0.2271% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  16.17 +/- 1.19   0.004% *  0.4955% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  15.84 +/- 0.35   0.004% *  0.4222% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  21.27 +/- 0.45   0.001% *  0.4614% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  23.46 +/- 0.39   0.000% *  0.4424% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  20.64 +/- 0.96   0.001% *  0.0852% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.924, support = 4.94, residual support = 102.5:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.31 +/- 0.03  59.066% * 64.7356% (0.98   5.42 131.31) =  74.034%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.55 +/- 0.19  40.113% * 33.4281% (0.76   3.59  20.35) =  25.963%  kept
          HB    ILE  103 - HN    LYS+ 106   6.82 +/- 0.21   0.789% *  0.1674% (0.69   0.02   0.11) =   0.003%
          HB    ILE   56 - HN    LYS+ 106  13.61 +/- 0.27   0.012% *  0.2114% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  15.11 +/- 0.37   0.007% *  0.0915% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  17.44 +/- 0.86   0.003% *  0.1770% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  18.83 +/- 0.48   0.002% *  0.2114% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.96 +/- 0.35   0.002% *  0.1283% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  20.49 +/- 0.44   0.001% *  0.1577% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  17.60 +/- 0.25   0.003% *  0.0543% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  22.47 +/- 0.46   0.001% *  0.2250% (0.92   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  22.02 +/- 0.48   0.001% *  0.1770% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  24.13 +/- 1.21   0.000% *  0.2353% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 2.23, residual support = 2.23:
          QG2   THR  118 - HN    LYS+ 106   4.59 +/- 0.12 100.000% *100.0000% (0.53   2.23   2.23) = 100.000%  kept
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 41.1:
          HB2   PHE   95 - HN    VAL  107   3.37 +/- 0.36 100.000% *100.0000% (1.00   2.31  41.09) = 100.000%  kept
    Distance limit 4.63 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 = 54.4:
      O   HB    VAL  107 - HN    VAL  107   2.72 +/- 0.34  99.918% * 98.4304% (0.99   3.33  54.44) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107   9.81 +/- 0.29   0.059% *  0.4093% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.75 +/- 0.45   0.019% *  0.4093% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  17.38 +/- 0.75   0.002% *  0.2237% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  19.58 +/- 0.78   0.001% *  0.4093% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.40 +/- 0.62   0.000% *  0.1179% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.526, support = 4.44, residual support = 21.7:
          QB    LYS+ 106 - HN    VAL  107   3.41 +/- 0.09  91.999% * 94.6558% (0.53   4.44  21.66) =  99.980%  kept
          HB3   ASP- 105 - HN    VAL  107   5.27 +/- 0.41   7.487% *  0.2019% (0.25   0.02   0.02) =   0.017%
          HB    ILE   56 - HN    VAL  107  10.59 +/- 0.25   0.104% *  0.7473% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  11.30 +/- 0.32   0.071% *  0.7260% (0.90   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    VAL  107   8.85 +/- 0.30   0.307% *  0.1602% (0.20   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    VAL  107  15.73 +/- 0.32   0.010% *  0.5879% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.41 +/- 0.38   0.005% *  0.7935% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  18.95 +/- 0.88   0.003% *  0.8024% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  18.60 +/- 0.41   0.004% *  0.3328% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  18.23 +/- 0.41   0.004% *  0.2761% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  20.80 +/- 1.18   0.002% *  0.3941% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  18.67 +/- 0.48   0.003% *  0.1802% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  20.80 +/- 0.44   0.002% *  0.1418% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.52, residual support = 54.4:
          QG1   VAL  107 - HN    VAL  107   2.62 +/- 0.27  99.952% * 89.8503% (0.20   3.52  54.44) =  99.999%  kept
          HG13  ILE  119 - HN    VAL  107  11.25 +/- 0.50   0.018% *  2.5545% (0.99   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    VAL  107  11.52 +/- 0.31   0.016% *  0.6427% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  107  13.85 +/- 0.85   0.006% *  1.5632% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  14.65 +/- 1.31   0.004% *  1.2545% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  16.44 +/- 0.50   0.002% *  2.5716% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.23 +/- 0.33   0.002% *  1.5632% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.76, residual support = 60.5:
      O   HB    VAL  108 - HN    VAL  108   2.39 +/- 0.07  99.968% * 96.9662% (0.95   3.76  60.48) = 100.000%  kept
          HB2   PRO   93 - HN    VAL  108  10.05 +/- 0.53   0.019% *  0.5156% (0.95   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  12.38 +/- 0.58   0.006% *  0.4165% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  12.82 +/- 0.67   0.005% *  0.0954% (0.18   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  17.97 +/- 0.38   0.001% *  0.5342% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  15.10 +/- 0.38   0.002% *  0.0954% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.88 +/- 0.32   0.000% *  0.3744% (0.69   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  22.31 +/- 0.45   0.000% *  0.4165% (0.76   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  23.66 +/- 0.76   0.000% *  0.2443% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  24.27 +/- 0.51   0.000% *  0.0841% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  29.52 +/- 1.93   0.000% *  0.1213% (0.22   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  37.64 +/- 2.14   0.000% *  0.1359% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 2.97, residual support = 9.35:
          QG2   VAL  107 - HN    VAL  108   2.39 +/- 0.33  99.980% * 91.5329% (0.28   2.97   9.35) = 100.000%  kept
          HG13  ILE  119 - HN    VAL  108  12.72 +/- 0.52   0.006% *  2.1002% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  108  12.22 +/- 1.13   0.007% *  0.7573% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    VAL  108  13.28 +/- 0.40   0.004% *  1.0807% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  108  18.50 +/- 0.37   0.001% *  1.9258% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  16.53 +/- 1.35   0.002% *  0.5536% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  20.35 +/- 0.64   0.000% *  2.0495% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.247, support = 0.0198, residual support = 9.26:
          QG1   VAL  107 - HN    VAL  108   4.10 +/- 0.14  99.649% *  8.8393% (0.25   0.02   9.35) =  98.993%  kept
          HG3   LYS+ 112 - HN    VAL  108  11.31 +/- 0.69   0.243% * 21.5009% (0.61   0.02   0.02) =   0.587%
          HG    LEU   63 - HN    VAL  108  13.44 +/- 0.49   0.084% * 34.2108% (0.97   0.02   0.02) =   0.323%
          QG2   VAL   24 - HN    VAL  108  16.64 +/- 0.78   0.024% * 35.4490% (1.00   0.02   0.02) =   0.097%
    Distance limit 3.68 A violated in 20 structures by 0.42 A, eliminated.
    Peak unassigned.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.9:
      O   HA    VAL   75 - HN    ASP-  76   2.21 +/- 0.03  99.998% * 98.7017% (0.69   4.64  26.94) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.73 +/- 0.54   0.001% *  0.4253% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  16.25 +/- 0.43   0.001% *  0.5716% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  22.39 +/- 0.37   0.000% *  0.3014% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 1.0, support = 3.71, residual support = 36.3:
      O   HB2   ASP-  76 - HN    ASP-  76   2.36 +/- 0.36  99.708% * 98.7736% (1.00   3.71  36.31) =  99.999%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.68 +/- 0.43   0.282% *  0.3862% (0.73   0.02   5.07) =   0.001%
          HB2   ASN   28 - HN    ASP-  76  12.13 +/- 0.27   0.008% *  0.0821% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.63 +/- 1.28   0.001% *  0.1184% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  23.43 +/- 0.33   0.000% *  0.5213% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.59 +/- 0.55   0.000% *  0.1184% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.278, support = 3.74, residual support = 36.3:
      O   HB3   ASP-  76 - HN    ASP-  76   3.11 +/- 0.42  99.528% * 89.7181% (0.28   3.74  36.31) =  99.995%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.50 +/- 0.58   0.339% *  0.7737% (0.45   0.02   0.02) =   0.003%
          HG3   MET   92 - HN    ASP-  76  13.03 +/- 1.61   0.030% *  1.4969% (0.87   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP-  76  12.12 +/- 0.53   0.036% *  1.1164% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.13 +/- 0.60   0.035% *  0.9770% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  13.21 +/- 0.33   0.021% *  1.6325% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  18.57 +/- 1.51   0.003% *  0.8400% (0.49   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  19.93 +/- 0.68   0.002% *  1.6325% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  17.50 +/- 1.06   0.004% *  0.5887% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  19.92 +/- 0.37   0.002% *  0.8400% (0.49   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  24.36 +/- 1.29   0.001% *  0.3842% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.9:
          QG1   VAL   75 - HN    ASP-  76   3.06 +/- 0.56  99.988% * 99.7156% (0.69   4.97  26.94) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  15.76 +/- 0.84   0.012% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 1 structures by 0.02 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 26.9:
          QG2   VAL   75 - HN    ASP-  76   3.75 +/- 0.17  99.930% * 99.6073% (0.98   4.64  26.94) = 100.000%  kept
          QG2   VAL   42 - HN    ASP-  76  12.89 +/- 0.79   0.070% *  0.3927% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 9.39:
      O   HA2   GLY  109 - HN    GLY  109   2.78 +/- 0.05  99.971% * 94.2644% (0.43   2.20   9.39) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  13.20 +/- 0.28   0.009% *  1.3100% (0.65   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  14.02 +/- 1.33   0.007% *  1.1542% (0.58   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  14.45 +/- 0.49   0.005% *  1.4575% (0.73   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  17.08 +/- 0.45   0.002% *  1.3941% (0.70   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  14.47 +/- 0.45   0.005% *  0.4199% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.673, support = 0.0193, residual support = 0.0193:
          HG3   LYS+ 111 - HN    GLY  109   6.14 +/- 0.80  94.697% * 20.3763% (0.70   0.02   0.02) =  96.534%  kept
          HG12  ILE   89 - HN    GLY  109  12.60 +/- 1.15   2.142% * 21.3024% (0.73   0.02   0.02) =   2.282%
          HG2   LYS+  74 - HN    GLY  109  14.17 +/- 0.66   0.907% * 13.3882% (0.46   0.02   0.02) =   0.607%
          HD2   LYS+ 112 - HN    GLY  109  12.61 +/- 1.41   1.950% *  4.3683% (0.15   0.02   0.02) =   0.426%
          HG3   LYS+  99 - HN    GLY  109  21.05 +/- 0.26   0.078% * 12.4970% (0.43   0.02   0.02) =   0.049%
          HG    LEU   71 - HN    GLY  109  21.57 +/- 0.70   0.066% * 14.2794% (0.49   0.02   0.02) =   0.047%
          HG13  ILE   19 - HN    GLY  109  21.24 +/- 0.36   0.074% *  8.2844% (0.28   0.02   0.02) =   0.031%
          HB3   LEU   71 - HN    GLY  109  20.66 +/- 0.61   0.087% *  5.5041% (0.19   0.02   0.02) =   0.024%
    Distance limit 4.87 A violated in 20 structures by 1.27 A, eliminated.
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.35:
          QG1   VAL  108 - HN    GLY  109   2.78 +/- 0.34  99.984% * 98.9381% (0.65   3.09   7.35) = 100.000%  kept
          QD1   LEU   40 - HN    GLY  109  14.15 +/- 0.39   0.007% *  0.5069% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    GLY  109  14.71 +/- 0.41   0.006% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  16.26 +/- 0.47   0.003% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 6.47:
      O   HA2   GLY  109 - HN    ALA  110   2.75 +/- 0.11  99.978% * 94.2644% (0.57   2.20   6.47) = 100.000%  kept
          HA    ILE  119 - HN    ALA  110  14.34 +/- 0.41   0.005% *  1.4575% (0.97   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA  110  14.07 +/- 0.20   0.006% *  1.3100% (0.87   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  14.77 +/- 0.63   0.004% *  1.3941% (0.92   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  15.45 +/- 0.95   0.004% *  1.1542% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  15.58 +/- 0.24   0.003% *  0.4199% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.222, support = 0.746, residual support = 6.59:
          HG2   PRO   93 - HN    ALA  110   2.44 +/- 0.81  95.944% * 54.6666% (0.22   0.75   6.62) =  99.514%  kept
          HB3   PRO   52 - HN    ALA  110   5.82 +/- 0.76   3.959% *  6.4182% (0.98   0.02   0.02) =   0.482%
          HG2   ARG+  54 - HN    ALA  110  12.61 +/- 0.67   0.017% *  3.1872% (0.49   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ALA  110  11.13 +/- 0.15   0.038% *  1.2958% (0.20   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA  110  11.93 +/- 0.66   0.018% *  1.8205% (0.28   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ALA  110  13.97 +/- 0.51   0.011% *  2.9356% (0.45   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    ALA  110  17.47 +/- 0.53   0.003% *  5.2431% (0.80   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA  110  19.26 +/- 0.59   0.001% *  6.4182% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ALA  110  17.32 +/- 0.39   0.003% *  2.9356% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA  110  18.10 +/- 0.43   0.002% *  3.4450% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA  110  19.95 +/- 1.00   0.001% *  4.2358% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA  110  17.81 +/- 1.22   0.002% *  1.4578% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA  110  23.67 +/- 0.48   0.000% *  2.2335% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA  110  25.87 +/- 0.41   0.000% *  3.7071% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.59:
      O   QB    ALA  110 - HN    ALA  110   2.03 +/- 0.06  99.978% * 90.9419% (0.69   2.12   9.59) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   8.49 +/- 0.24   0.019% *  0.5135% (0.41   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  12.84 +/- 0.20   0.002% *  1.1202% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  17.64 +/- 0.68   0.000% *  1.2380% (0.99   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  18.88 +/- 0.40   0.000% *  1.1202% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  19.10 +/- 1.39   0.000% *  0.9070% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  20.29 +/- 0.79   0.000% *  1.2243% (0.98   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.73 +/- 0.72   0.000% *  0.5135% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  18.13 +/- 0.88   0.000% *  0.2781% (0.22   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  19.65 +/- 0.69   0.000% *  0.3855% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  22.43 +/- 0.37   0.000% *  0.7576% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  24.71 +/- 1.05   0.000% *  1.0002% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 312.1:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.46 +/- 0.10  79.338% * 98.2124% (1.00   7.06 312.26) =  99.961%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.52 +/- 0.60  20.527% *  0.1468% (0.53   0.02   2.17) =   0.039%
          HB    ILE  119 - HN    LYS+ 111  10.23 +/- 0.50   0.127% *  0.0696% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  21.74 +/- 0.58   0.001% *  0.2734% (0.98   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  20.08 +/- 0.37   0.002% *  0.1251% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.06 +/- 0.84   0.001% *  0.2734% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.22 +/- 0.56   0.001% *  0.2502% (0.90   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  24.29 +/- 0.64   0.001% *  0.1468% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  23.03 +/- 0.42   0.001% *  0.1047% (0.38   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  27.02 +/- 0.79   0.000% *  0.2420% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  23.14 +/- 0.44   0.001% *  0.0696% (0.25   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  25.10 +/- 0.45   0.001% *  0.0861% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 5.17, residual support = 312.3:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.25 +/- 0.08  99.991% * 97.9629% (0.92   5.17 312.26) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  12.91 +/- 0.53   0.003% *  0.4021% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  13.98 +/- 0.41   0.002% *  0.3679% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  13.29 +/- 1.24   0.003% *  0.1686% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  16.54 +/- 0.94   0.001% *  0.3284% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  17.81 +/- 0.45   0.000% *  0.4021% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  18.33 +/- 0.52   0.000% *  0.1399% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.01 +/- 0.41   0.000% *  0.1140% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  26.29 +/- 1.47   0.000% *  0.1140% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.53, residual support = 312.3:
          HG3   LYS+ 111 - HN    LYS+ 111   3.37 +/- 0.23  97.789% * 98.8172% (0.92   6.53 312.26) =  99.998%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.66 +/- 1.31   2.187% *  0.0649% (0.20   0.02  25.73) =   0.001%
          HG2   LYS+  74 - HN    LYS+ 111  15.44 +/- 0.77   0.012% *  0.1989% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LYS+ 111  17.25 +/- 1.01   0.006% *  0.3165% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  21.72 +/- 0.39   0.001% *  0.1856% (0.57   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  22.48 +/- 0.82   0.001% *  0.2121% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  22.09 +/- 0.27   0.001% *  0.1231% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  21.49 +/- 0.40   0.002% *  0.0818% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 1 structures by 0.03 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.21, residual support = 1.21:
          QD1   ILE   56 - HN    LYS+ 111   3.90 +/- 0.07  99.887% * 95.6031% (0.76   1.21   1.21) =  99.998%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  13.90 +/- 0.80   0.054% *  1.9884% (0.97   0.02   0.02) =   0.001%
          QD2   LEU  123 - HN    LYS+ 111  14.65 +/- 0.29   0.036% *  0.7028% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+ 111  16.21 +/- 0.34   0.020% *  1.0029% (0.49   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+ 111  21.06 +/- 0.69   0.004% *  0.7028% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.83, residual support = 235.4:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.77 +/- 0.02  99.988% * 99.5285% (0.87   5.83 235.38) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  12.84 +/- 0.60   0.011% *  0.1344% (0.34   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  17.15 +/- 0.34   0.002% *  0.2389% (0.61   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  26.33 +/- 0.65   0.000% *  0.0982% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.867, support = 7.19, residual support = 25.7:
          HB2   LYS+ 111 - HN    LYS+ 112   4.18 +/- 0.10  84.386% * 97.8899% (0.87   7.19  25.73) =  99.983%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.65 +/- 0.29  14.342% *  0.0872% (0.28   0.02   0.02) =   0.015%
          HB    ILE  119 - HN    LYS+ 112   9.93 +/- 0.41   0.491% *  0.1527% (0.49   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LYS+ 112   9.75 +/- 0.84   0.609% *  0.0872% (0.28   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    LYS+ 112  12.07 +/- 0.44   0.154% *  0.0699% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  23.39 +/- 0.69   0.003% *  0.2512% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  24.58 +/- 0.63   0.002% *  0.3138% (1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.91 +/- 0.69   0.002% *  0.2512% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  27.42 +/- 0.71   0.001% *  0.2512% (0.80   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  22.82 +/- 0.35   0.003% *  0.0699% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  26.31 +/- 0.43   0.001% *  0.1527% (0.49   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.33 +/- 0.49   0.001% *  0.1776% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  24.18 +/- 0.50   0.002% *  0.0550% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  30.52 +/- 0.74   0.001% *  0.1903% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 5.8, residual support = 235.4:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.20 +/- 0.15  99.951% * 96.5336% (0.76   5.80 235.38) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   8.17 +/- 0.79   0.045% *  0.0672% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.49 +/- 0.54   0.001% *  0.2817% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.95 +/- 1.28   0.001% *  0.1634% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  17.36 +/- 0.58   0.000% *  0.4020% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  19.99 +/- 0.87   0.000% *  0.4020% (0.92   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  18.92 +/- 0.45   0.000% *  0.2991% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  20.36 +/- 0.36   0.000% *  0.3777% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  19.70 +/- 0.34   0.000% *  0.1790% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.65 +/- 1.20   0.000% *  0.3637% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  24.07 +/- 0.92   0.000% *  0.1086% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  30.03 +/- 1.66   0.000% *  0.4020% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  30.21 +/- 1.12   0.000% *  0.4202% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.825, support = 5.87, residual support = 235.4:
      O   HB3   LYS+ 112 - HN    LYS+ 112   3.44 +/- 0.08  72.332% * 60.8212% (0.90   5.69 235.38) =  82.403%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.54 +/- 1.15  24.282% * 38.6826% (0.49   6.67 235.38) =  17.593%  kept
          QG2   VAL  107 - HN    LYS+ 112   5.81 +/- 0.31   3.252% *  0.0471% (0.20   0.02   0.02) =   0.003%
          QG2   THR   94 - HN    LYS+ 112   9.88 +/- 0.48   0.130% *  0.2066% (0.87   0.02   0.02) =   0.001%
          HG13  ILE  103 - HN    LYS+ 112  18.43 +/- 0.52   0.003% *  0.1445% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  24.35 +/- 0.43   0.001% *  0.0979% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 6.35, residual support = 235.4:
          HG2   LYS+ 112 - HN    LYS+ 112   3.27 +/- 0.47  99.903% * 98.2097% (0.34   6.35 235.38) =  99.999%  kept
          QG1   VAL   42 - HN    LYS+ 112  12.63 +/- 0.54   0.045% *  0.6228% (0.69   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    LYS+ 112  13.02 +/- 0.32   0.035% *  0.7261% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  14.69 +/- 0.37   0.018% *  0.4414% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.762, support = 0.02, residual support = 0.63:
          QD1   ILE   56 - HN    LYS+ 112   4.89 +/- 0.28  99.682% * 26.3685% (0.76   0.02   0.63) =  99.760%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.44 +/- 0.83   0.113% * 33.2982% (0.97   0.02   0.02) =   0.142%
          QD2   LEU  123 - HN    LYS+ 112  14.31 +/- 0.33   0.167% * 11.7694% (0.34   0.02   0.02) =   0.075%
          QD2   LEU   73 - HN    LYS+ 112  18.81 +/- 0.27   0.032% * 16.7946% (0.49   0.02   0.02) =   0.020%
          HG    LEU   31 - HN    LYS+ 112  24.75 +/- 0.63   0.006% * 11.7694% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.20 A violated in 19 structures by 0.70 A, eliminated.
    Peak unassigned.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.06, residual support = 235.4:
          HG3   LYS+ 112 - HN    LYS+ 112   3.26 +/- 0.26  99.723% * 99.2336% (0.87   6.06 235.38) = 100.000%  kept
          QG2   VAL  108 - HN    LYS+ 112   9.43 +/- 0.86   0.246% *  0.0582% (0.15   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    LYS+ 112  12.85 +/- 0.84   0.030% *  0.3698% (0.98   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  21.14 +/- 0.41   0.001% *  0.3384% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.06, residual support = 14.9:
      O   HA    LYS+ 112 - HN    ASP- 113   3.51 +/- 0.01  99.975% * 99.4571% (0.74   5.06  14.92) = 100.000%  kept
          HB    THR   46 - HN    ASP- 113  15.05 +/- 0.55   0.017% *  0.1547% (0.29   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    ASP- 113  16.75 +/- 0.18   0.009% *  0.2751% (0.52   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  28.46 +/- 0.59   0.000% *  0.1131% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 3.19, residual support = 13.6:
      O   QB    ASP- 113 - HN    ASP- 113   2.14 +/- 0.07 100.000% *100.0000% (0.82   3.19  13.57) = 100.000%  kept
    Distance limit 3.30 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 = 2.55, residual support = 20.0:
          QG    GLU- 114 - HN    ASP- 113   4.44 +/- 0.16  99.473% * 92.8121% (0.26   2.55  19.98) =  99.993%  kept
          HG2   PRO   52 - HN    ASP- 113  12.27 +/- 0.67   0.248% *  1.8022% (0.65   0.02   0.02) =   0.005%
          HB2   PRO   58 - HN    ASP- 113  13.86 +/- 0.51   0.115% *  1.1478% (0.41   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ASP- 113  13.49 +/- 1.31   0.158% *  0.5880% (0.21   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    ASP- 113  23.83 +/- 0.53   0.004% *  0.8850% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  33.54 +/- 0.47   0.001% *  2.1768% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  34.34 +/- 0.83   0.000% *  0.5880% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.815, support = 3.62, residual support = 6.71:
          HB2   LYS+ 111 - HN    ASP- 113   3.39 +/- 0.31  82.483% * 66.9276% (0.85   3.66   5.43) =  91.168%  kept
          QB    GLU- 114 - HN    ASP- 113   4.43 +/- 0.14  17.297% * 30.9155% (0.45   3.20  19.98) =   8.831%  kept
          HB    ILE  119 - HN    ASP- 113   9.25 +/- 0.31   0.217% *  0.0914% (0.21   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  24.78 +/- 0.56   0.001% *  0.3594% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  25.12 +/- 0.59   0.001% *  0.3289% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  25.65 +/- 0.85   0.000% *  0.3594% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  24.15 +/- 0.40   0.001% *  0.1644% (0.38   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  24.51 +/- 0.47   0.001% *  0.1376% (0.32   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  28.70 +/- 0.68   0.000% *  0.1929% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  32.14 +/- 0.74   0.000% *  0.3181% (0.74   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.01 +/- 0.70   0.000% *  0.1132% (0.26   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  27.43 +/- 0.43   0.000% *  0.0914% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 4.97, residual support = 14.9:
          HB2   LYS+ 112 - HN    ASP- 113   3.28 +/- 0.10  99.830% * 95.9787% (0.65   4.97  14.92) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  10.29 +/- 0.76   0.122% *  0.0779% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  13.71 +/- 1.39   0.024% *  0.1896% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  14.90 +/- 0.77   0.012% *  0.3268% (0.55   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  18.09 +/- 0.68   0.004% *  0.4663% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.02 +/- 0.55   0.003% *  0.3470% (0.59   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  21.00 +/- 0.77   0.002% *  0.4663% (0.79   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  21.66 +/- 0.41   0.001% *  0.4382% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  21.54 +/- 0.28   0.001% *  0.2077% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  25.04 +/- 1.36   0.001% *  0.4219% (0.71   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  30.92 +/- 1.56   0.000% *  0.4663% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  31.05 +/- 1.18   0.000% *  0.4875% (0.82   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.94 +/- 1.00   0.000% *  0.1260% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.737, support = 4.91, residual support = 14.9:
          HB3   LYS+ 112 - HN    ASP- 113   3.86 +/- 0.19  82.271% * 59.8238% (0.76   4.83  14.92) =  92.194%  kept
          HD2   LYS+ 112 - HN    ASP- 113   6.00 +/- 0.80  10.512% * 39.6010% (0.41   5.89  14.92) =   7.798%  kept
          QG2   VAL  107 - HN    ASP- 113   5.92 +/- 0.40   7.003% *  0.0546% (0.17   0.02   0.02) =   0.007%
          QG2   THR   94 - HN    ASP- 113  10.58 +/- 0.55   0.206% *  0.2395% (0.74   0.02   0.02) =   0.001%
          HG13  ILE  103 - HN    ASP- 113  18.35 +/- 0.69   0.007% *  0.1675% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  25.12 +/- 0.38   0.001% *  0.1135% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 1 structures by 0.01 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.2, residual support = 20.0:
      O   HA    ASP- 113 - HN    GLU- 114   3.63 +/- 0.02  99.563% * 97.9729% (1.00   3.20  19.98) =  99.998%  kept
          HA    ILE   56 - HN    GLU- 114   9.61 +/- 0.18   0.290% *  0.3724% (0.61   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    GLU- 114  10.96 +/- 0.25   0.132% *  0.3724% (0.61   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU- 114  16.60 +/- 0.15   0.011% *  0.2988% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.54 +/- 0.73   0.002% *  0.4916% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  26.42 +/- 0.90   0.001% *  0.3972% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  24.29 +/- 1.34   0.001% *  0.0947% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 3.2, residual support = 20.0:
          QB    ASP- 113 - HN    GLU- 114   2.45 +/- 0.12  99.997% * 99.8560% (0.97   3.20  19.98) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  14.17 +/- 0.26   0.003% *  0.1440% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.65, residual support = 38.9:
          QG    GLU- 114 - HN    GLU- 114   2.62 +/- 0.22  99.988% * 97.8449% (0.84   4.65  38.88) = 100.000%  kept
          HG2   PRO   52 - HN    GLU- 114  13.64 +/- 0.70   0.006% *  0.4944% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU- 114  13.59 +/- 1.09   0.006% *  0.3855% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  23.52 +/- 0.61   0.000% *  0.4523% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  32.50 +/- 0.60   0.000% *  0.4375% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  32.60 +/- 0.89   0.000% *  0.3855% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.868, support = 3.14, residual support = 19.4:
          HB2   LYS+ 111 - HN    GLU- 114   2.13 +/- 0.46  60.939% * 41.1843% (0.90   2.56   2.17) =  53.014%  kept
      O   QB    GLU- 114 - HN    GLU- 114   2.24 +/- 0.10  39.061% * 56.9474% (0.84   3.79  38.88) =  46.986%  kept
          HB    ILE   19 - HN    GLU- 114  23.24 +/- 0.56   0.000% *  0.2746% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  24.38 +/- 0.59   0.000% *  0.3399% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  24.78 +/- 1.07   0.000% *  0.3399% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU- 114  23.66 +/- 0.54   0.000% *  0.2468% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  24.30 +/- 0.63   0.000% *  0.2180% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  31.17 +/- 0.82   0.000% *  0.3594% (1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  27.60 +/- 0.72   0.000% *  0.0896% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.923, support = 0.55, residual support = 2.17:
          HB3   LYS+ 111 - HN    GLU- 114   3.46 +/- 0.19  99.763% * 83.6338% (0.92   0.55   2.17) =  99.993%  kept
          HB3   LYS+ 121 - HN    GLU- 114  11.36 +/- 0.86   0.103% *  3.2302% (0.98   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HN    GLU- 114  11.36 +/- 1.46   0.108% *  1.3548% (0.41   0.02   0.02) =   0.002%
          QD    LYS+  66 - HN    GLU- 114  16.38 +/- 0.93   0.011% *  2.6388% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    GLU- 114  18.22 +/- 0.71   0.005% *  3.2302% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    GLU- 114  18.13 +/- 0.45   0.005% *  2.9555% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLU- 114  19.95 +/- 0.51   0.003% *  1.1241% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    GLU- 114  24.26 +/- 0.48   0.001% *  0.9163% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    GLU- 114  28.97 +/- 1.58   0.000% *  0.9163% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 694 (1.14, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 1.41, residual support = 3.65:
          QG2   VAL  107 - HN    GLU- 114   4.48 +/- 0.48  92.648% * 91.3996% (0.53   1.41   3.65) =  99.949%  kept
          HD3   LYS+ 112 - HN    GLU- 114   7.19 +/- 0.52   6.240% *  0.3809% (0.15   0.02   0.02) =   0.028%
          HG13  ILE  119 - HN    GLU- 114  10.16 +/- 0.20   0.796% *  1.7927% (0.73   0.02   0.02) =   0.017%
          HG2   LYS+ 121 - HN    GLU- 114  12.20 +/- 0.48   0.258% *  1.8867% (0.76   0.02   0.02) =   0.006%
          QB    ALA   20 - HN    GLU- 114  20.54 +/- 0.45   0.011% *  2.4633% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    GLU- 114  16.20 +/- 0.77   0.044% *  0.3809% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  25.59 +/- 0.85   0.003% *  1.6958% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.04 A violated in 0 structures by 0.00 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   3.05 +/- 0.28  99.982% * 96.9904% (0.57   3.86  14.95) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  13.56 +/- 0.88   0.017% *  0.5383% (0.61   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  25.77 +/- 0.91   0.000% *  0.8565% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.93 +/- 0.66   0.000% *  0.6096% (0.69   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  26.04 +/- 1.31   0.000% *  0.5383% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.99 +/- 0.69   0.000% *  0.4669% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.11 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   2.92 +/- 0.02  99.996% * 99.4114% (0.53   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  16.40 +/- 0.94   0.003% *  0.2943% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.59 +/- 0.37   0.000% *  0.2943% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 6.39, residual support = 75.9:
      O   HA    GLU- 100 - HN    GLU- 100   2.21 +/- 0.08  99.997% * 98.1585% (0.57   6.39  75.86) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  12.59 +/- 0.52   0.003% *  0.3294% (0.61   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.80 +/- 0.83   0.000% *  0.5241% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  25.43 +/- 0.38   0.000% *  0.3730% (0.69   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  27.49 +/- 1.20   0.000% *  0.3294% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  30.39 +/- 0.74   0.000% *  0.2857% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.687, support = 4.33, residual support = 75.9:
          HG3   GLU- 100 - HN    GLU- 100   2.76 +/- 0.37  99.946% * 97.4548% (0.69   4.33  75.86) = 100.000%  kept
          QB    GLN   32 - HN    GLU- 100  10.41 +/- 0.47   0.048% *  0.6425% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  16.69 +/- 0.48   0.003% *  0.6425% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  19.81 +/- 0.82   0.001% *  0.6201% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  19.34 +/- 2.01   0.002% *  0.1459% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  25.26 +/- 0.34   0.000% *  0.1823% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  26.26 +/- 3.07   0.000% *  0.1297% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  28.09 +/- 0.87   0.000% *  0.1823% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 40.1:
          HB2   LYS+  99 - HN    GLU- 100   4.37 +/- 0.08  99.816% * 99.1242% (0.73   5.60  40.05) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.63 +/- 0.49   0.180% *  0.4070% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  28.06 +/- 0.72   0.001% *  0.3724% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  26.55 +/- 0.74   0.002% *  0.0964% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.39, residual support = 40.1:
          HG2   LYS+  99 - HN    GLU- 100   2.98 +/- 0.24  96.902% * 98.3954% (0.90   6.39  40.05) =  99.989%  kept
          HG2   LYS+  38 - HN    GLU- 100   5.70 +/- 1.25   3.047% *  0.3314% (0.97   0.02   0.02) =   0.011%
          HB2   LEU   31 - HN    GLU- 100  11.25 +/- 0.63   0.040% *  0.1944% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  16.41 +/- 0.47   0.004% *  0.1060% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.53 +/- 0.40   0.002% *  0.2083% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.84 +/- 0.63   0.004% *  0.0764% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  23.42 +/- 0.82   0.000% *  0.2221% (0.65   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  26.89 +/- 0.75   0.000% *  0.3248% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  23.47 +/- 0.98   0.000% *  0.1412% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 4.75, residual support = 169.8:
      O   HB2   LYS+  99 - HN    LYS+  99   2.91 +/- 0.15  99.915% * 98.8569% (0.99   4.75 169.85) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.45 +/- 0.30   0.050% *  0.3974% (0.95   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  12.07 +/- 0.17   0.021% *  0.0261% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  19.97 +/- 0.90   0.001% *  0.2378% (0.57   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  14.35 +/- 1.34   0.009% *  0.0156% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.29 +/- 0.55   0.004% *  0.0274% (0.07   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  26.75 +/- 0.83   0.000% *  0.4117% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  19.88 +/- 0.50   0.001% *  0.0271% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.7, residual support = 16.3:
          QB    LEU   98 - HN    LYS+  99   3.13 +/- 0.26  96.458% * 93.3258% (0.57   3.70  16.31) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  11.72 +/- 1.39   0.047% *  0.7726% (0.87   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   5.79 +/- 0.39   2.921% *  0.0090% (0.01   0.02   8.99) =   0.000%
          HG12  ILE   19 - HN    GLN   30   8.42 +/- 0.58   0.296% *  0.0525% (0.06   0.02  14.07) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  12.03 +/- 0.46   0.035% *  0.3993% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  99  12.68 +/- 1.59   0.032% *  0.1374% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  17.06 +/- 0.88   0.004% *  0.7988% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  10.89 +/- 0.39   0.059% *  0.0489% (0.05   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.17 +/- 0.19   0.003% *  0.7440% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.20 +/- 0.32   0.003% *  0.7440% (0.84   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.44 +/- 0.26   0.004% *  0.5402% (0.61   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  11.51 +/- 0.50   0.044% *  0.0331% (0.04   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  16.22 +/- 0.89   0.006% *  0.2476% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  15.18 +/- 3.21   0.056% *  0.0181% (0.02   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  22.04 +/- 1.23   0.001% *  0.7132% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  23.24 +/- 1.13   0.001% *  0.8596% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  14.37 +/- 0.39   0.011% *  0.0469% (0.05   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  21.61 +/- 2.29   0.001% *  0.2749% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  16.23 +/- 0.40   0.005% *  0.0565% (0.06   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  16.73 +/- 0.59   0.005% *  0.0355% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.25 +/- 0.35   0.006% *  0.0262% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  20.25 +/- 0.22   0.001% *  0.0489% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  23.63 +/- 1.24   0.001% *  0.0508% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.03 +/- 0.55   0.002% *  0.0163% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.776, support = 3.54, residual support = 18.6:
          QD2   LEU  104 - HN    LYS+  99   2.95 +/- 0.65  75.735% * 50.3604% (0.80   3.44  19.19) =  78.180%  kept
          QD1   LEU   98 - HN    LYS+  99   4.21 +/- 0.94  21.659% * 49.1449% (0.69   3.91  16.31) =  21.819%  kept
          QD1   ILE   19 - HN    GLN   30   5.30 +/- 0.42   2.532% *  0.0155% (0.04   0.02  14.07) =   0.001%
          QD1   ILE   19 - HN    LYS+  99  14.40 +/- 0.42   0.005% *  0.2365% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  14.45 +/- 0.82   0.006% *  0.0814% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  11.53 +/- 0.71   0.023% *  0.0165% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  16.98 +/- 0.44   0.002% *  0.1128% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  11.29 +/- 0.59   0.025% *  0.0053% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.36 +/- 0.77   0.003% *  0.0192% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  13.48 +/- 0.33   0.008% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.781, support = 4.16, residual support = 18.1:
          QD1   LEU  104 - HN    LYS+  99   4.00 +/- 0.51  35.231% * 91.6668% (0.87   4.16  19.19) =  89.396%  kept
          QD1   LEU   73 - HN    GLN   30   3.59 +/- 0.14  64.432% *  5.9445% (0.06   4.11   8.99) =  10.602%  kept
          QD1   LEU   73 - HN    LYS+  99  10.87 +/- 0.50   0.087% *  0.4406% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LYS+  99  11.41 +/- 0.42   0.063% *  0.4406% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  11.57 +/- 1.00   0.066% *  0.1412% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  15.72 +/- 0.50   0.009% *  0.5068% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN   30  11.38 +/- 0.27   0.064% *  0.0331% (0.07   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  18.99 +/- 0.88   0.003% *  0.5034% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  20.07 +/- 1.36   0.002% *  0.2088% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  14.92 +/- 0.51   0.012% *  0.0289% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.87 +/- 0.43   0.009% *  0.0289% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30  14.89 +/- 0.56   0.013% *  0.0137% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  16.80 +/- 0.63   0.006% *  0.0093% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  20.76 +/- 0.49   0.002% *  0.0333% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.02, residual support = 10.9:
          HB3   PHE   97 - HN    LEU   98   3.60 +/- 0.08  99.537% * 97.5414% (0.65   4.03  10.86) =  99.997%  kept
          HB2   GLU- 100 - HN    LEU   98   9.13 +/- 0.42   0.390% *  0.6719% (0.90   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    LEU   98  12.67 +/- 0.51   0.055% *  0.3942% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  17.09 +/- 0.72   0.009% *  0.6258% (0.84   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  18.84 +/- 0.49   0.005% *  0.5999% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  19.88 +/- 0.25   0.004% *  0.1668% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.76 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 = 0.695, support = 3.76, residual support = 27.8:
          HB    VAL   41 - HN    LEU   98   4.49 +/- 1.36  49.780% * 61.5350% (0.65   4.50  27.91) =  68.789%  kept
          HG12  ILE  103 - HN    LEU   98   5.09 +/- 0.66  38.490% * 36.0566% (0.80   2.13  27.46) =  31.165%  kept
          HB3   ASP- 105 - HN    LEU   98   6.52 +/- 0.18   5.391% *  0.1895% (0.45   0.02   4.76) =   0.023%
          HB    ILE  103 - HN    LEU   98   7.13 +/- 0.16   3.250% *  0.2224% (0.53   0.02  27.46) =   0.016%
          QB    LYS+ 106 - HN    LEU   98   7.28 +/- 0.20   2.694% *  0.0836% (0.20   0.02   0.02) =   0.005%
          QB    LYS+  33 - HN    LEU   98  11.26 +/- 0.46   0.217% *  0.1442% (0.34   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    LEU   98  12.48 +/- 0.30   0.107% *  0.1895% (0.45   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   98  16.79 +/- 0.37   0.018% *  0.4143% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   98  15.83 +/- 0.34   0.026% *  0.2393% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  21.30 +/- 0.76   0.004% *  0.4143% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  17.13 +/- 0.40   0.015% *  0.0941% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  22.79 +/- 0.46   0.003% *  0.2057% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  22.68 +/- 0.83   0.003% *  0.0941% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  24.22 +/- 0.32   0.002% *  0.1175% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 8 structures by 0.09 A, kept and volume modified.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.02, residual support = 78.9:
      O   QB    LEU   98 - HN    LEU   98   2.93 +/- 0.24  98.222% * 97.0300% (0.84   5.02  78.90) =  99.998%  kept
          HB    VAL   42 - HN    LEU   98   6.06 +/- 0.33   1.593% *  0.0811% (0.18   0.02   0.43) =   0.001%
          HD3   LYS+ 121 - HN    LEU   98  11.05 +/- 1.31   0.051% *  0.4622% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98   9.75 +/- 0.33   0.079% *  0.1031% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.09 +/- 0.31   0.009% *  0.4592% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  13.93 +/- 0.80   0.011% *  0.2997% (0.65   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.06 +/- 0.19   0.006% *  0.2623% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  13.50 +/- 1.25   0.014% *  0.1031% (0.22   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.14 +/- 0.25   0.009% *  0.1580% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  20.21 +/- 1.03   0.001% *  0.4541% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.27 +/- 2.21   0.002% *  0.2623% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  19.18 +/- 1.21   0.001% *  0.2437% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  16.73 +/- 0.31   0.003% *  0.0811% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.965, support = 4.64, residual support = 11.0:
          QD2   LEU   40 - HN    LEU   98   2.42 +/- 0.23  97.168% * 98.3394% (0.97   4.64  11.00) =  99.994%  kept
          QG2   ILE  103 - HN    LEU   98   5.30 +/- 0.29   1.035% *  0.3811% (0.87   0.02  27.46) =   0.004%
          QD1   ILE  103 - HN    LEU   98   5.70 +/- 0.77   1.588% *  0.0869% (0.20   0.02  27.46) =   0.001%
          QD1   LEU   67 - HN    LEU   98   7.13 +/- 0.41   0.176% *  0.4156% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   71 - HN    LEU   98   9.74 +/- 0.16   0.026% *  0.1222% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU   98  12.50 +/- 0.53   0.006% *  0.3190% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.15 +/- 0.42   0.002% *  0.3358% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.32, support = 4.47, residual support = 66.2:
          QD1   LEU   98 - HN    LEU   98   3.52 +/- 0.85  42.367% * 74.4941% (0.38   4.78  78.90) =  75.243%  kept
          QG1   VAL   41 - HN    LEU   98   3.38 +/- 0.46  45.363% * 22.7752% (0.15   3.55  27.91) =  24.631%  kept
          QD2   LEU  104 - HN    LEU   98   5.32 +/- 0.66   4.118% *  0.8237% (0.99   0.02   6.99) =   0.081%
          QG1   VAL   43 - HN    LEU   98   4.62 +/- 0.35   8.072% *  0.2311% (0.28   0.02   0.02) =   0.044%
          QD1   ILE   19 - HN    LEU   98  11.98 +/- 0.36   0.027% *  0.7672% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU   98  11.10 +/- 0.87   0.040% *  0.4045% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.36 +/- 0.44   0.014% *  0.5041% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.218, support = 4.66, residual support = 52.6:
          QG2   VAL   41 - HN    LEU   98   3.80 +/- 0.32  34.967% * 61.6437% (0.28   4.66  27.91) =  51.510%  kept
          QD2   LEU   98 - HN    LEU   98   3.37 +/- 0.78  58.969% * 34.3720% (0.15   4.68  78.90) =  48.437%  kept
          QD1   LEU  104 - HN    LEU   98   5.13 +/- 0.54   5.198% *  0.2939% (0.31   0.02   6.99) =   0.037%
          QD1   LEU   73 - HN    LEU   98   8.31 +/- 0.48   0.341% *  0.8540% (0.90   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    LEU   98   8.52 +/- 0.44   0.280% *  0.8540% (0.90   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    LEU   98   9.14 +/- 0.90   0.216% *  0.7954% (0.84   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    LEU   98  13.13 +/- 0.53   0.019% *  0.5391% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   98  16.43 +/- 0.90   0.005% *  0.5010% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  17.65 +/- 1.47   0.004% *  0.1469% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.946, support = 4.84, residual support = 62.6:
      O   HB2   PHE   97 - HN    PHE   97   2.44 +/- 0.04  99.564% * 98.7245% (0.95   4.84  62.58) =  99.999%  kept
          QE    LYS+ 106 - HN    PHE   97   6.31 +/- 0.46   0.369% *  0.2271% (0.53   0.02  12.36) =   0.001%
          QE    LYS+  99 - HN    PHE   97   9.58 +/- 0.53   0.029% *  0.2618% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.78 +/- 0.56   0.027% *  0.0756% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  14.03 +/- 0.57   0.003% *  0.4165% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  12.20 +/- 0.35   0.006% *  0.1472% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  15.81 +/- 0.60   0.001% *  0.1472% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.63, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 45.6:
          HG2   MET   96 - HN    PHE   97   3.03 +/- 0.49  99.990% * 99.4690% (0.73   5.60  45.59) = 100.000%  kept
          HB2   ASP-  62 - HN    PHE   97  15.37 +/- 0.57   0.009% *  0.1221% (0.25   0.02   0.02) =   0.000%
          HB2   PRO   52 - HN    PHE   97  20.12 +/- 0.82   0.002% *  0.4090% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.19, residual support = 62.6:
      O   HB3   PHE   97 - HN    PHE   97   3.61 +/- 0.04  97.703% * 96.5045% (0.34   5.19  62.58) =  99.992%  kept
          HB    VAL  107 - HN    PHE   97   6.90 +/- 0.49   2.182% *  0.3033% (0.28   0.02   2.49) =   0.007%
          HB2   GLU- 100 - HN    PHE   97  11.97 +/- 0.70   0.078% *  0.6616% (0.61   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    PHE   97  15.91 +/- 0.67   0.014% *  0.9112% (0.84   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  17.29 +/- 0.72   0.008% *  1.0884% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.73 +/- 0.49   0.015% *  0.5310% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.535, support = 5.19, residual support = 50.5:
          HB2   MET   96 - HN    PHE   97   4.01 +/- 0.09  77.757% * 35.2414% (0.31   6.07  45.59) =  66.291%  kept
          HB2   ASP- 105 - HN    PHE   97   5.00 +/- 0.34  22.010% * 63.3066% (0.98   3.44  60.31) =  33.708%  kept
          HG2   GLU- 100 - HN    PHE   97  12.99 +/- 0.50   0.070% *  0.2873% (0.76   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   97  11.87 +/- 0.34   0.117% *  0.1545% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  16.02 +/- 1.36   0.024% *  0.3371% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  18.39 +/- 0.53   0.009% *  0.3140% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  18.75 +/- 0.31   0.007% *  0.3010% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  19.94 +/- 0.87   0.005% *  0.0580% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 6.07, residual support = 45.6:
          HB3   MET   96 - HN    PHE   97   4.29 +/- 0.05  99.670% * 91.3872% (0.15   6.07  45.59) =  99.996%  kept
          HB2   MET   92 - HN    PHE   97  14.62 +/- 0.36   0.064% *  1.6915% (0.87   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    PHE   97  14.26 +/- 0.30   0.074% *  1.4160% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  14.20 +/- 0.84   0.080% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  14.01 +/- 0.33   0.083% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  17.53 +/- 0.21   0.021% *  1.9114% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  22.43 +/- 1.92   0.006% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  30.62 +/- 2.21   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.616, support = 1.83, residual support = 2.24:
          QG2   ILE  103 - HN    PHE   97   3.21 +/- 0.34  91.143% * 56.5364% (0.61   1.88   2.32) =  93.755%  kept
          QD2   LEU   40 - HN    PHE   97   4.96 +/- 0.24   8.347% * 41.0779% (0.76   1.09   0.94) =   6.239%  kept
          QD1   LEU   67 - HN    PHE   97   8.07 +/- 0.34   0.428% *  0.7194% (0.73   0.02   0.02) =   0.006%
          HB    VAL   75 - HN    PHE   97  12.42 +/- 0.39   0.031% *  0.9371% (0.95   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    PHE   97  11.85 +/- 0.30   0.042% *  0.2470% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    PHE   97  15.41 +/- 0.43   0.009% *  0.4822% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 4.0, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.87 +/- 0.06  99.936% * 95.7142% (0.24   4.00  11.99) =  99.999%  kept
          HG3   GLN  116 - HN    MET   96  16.34 +/- 0.60   0.018% *  0.9351% (0.46   0.02   0.02) =   0.000%
          HB3   TRP   87 - HN    MET   96  17.37 +/- 0.59   0.012% *  1.0876% (0.54   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  19.04 +/- 0.54   0.007% *  1.8830% (0.93   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  15.36 +/- 0.34   0.026% *  0.3802% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.06, residual support = 115.5:
      O   HB2   MET   96 - HN    MET   96   2.61 +/- 0.08  99.794% * 98.0842% (0.94   4.06 115.51) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   7.68 +/- 0.36   0.167% *  0.2173% (0.42   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  11.33 +/- 0.45   0.016% *  0.3519% (0.69   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  14.18 +/- 0.53   0.004% *  0.3329% (0.65   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  12.75 +/- 1.38   0.013% *  0.0748% (0.15   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  15.24 +/- 0.63   0.003% *  0.3135% (0.61   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  16.20 +/- 0.74   0.002% *  0.3704% (0.72   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  18.93 +/- 0.50   0.001% *  0.2550% (0.50   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 115.5:
      O   HB3   MET   96 - HN    MET   96   2.77 +/- 0.08  99.941% * 97.5401% (0.57   3.97 115.51) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  11.56 +/- 0.34   0.020% *  0.7668% (0.89   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  12.10 +/- 0.94   0.017% *  0.4265% (0.50   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  11.48 +/- 0.34   0.020% *  0.2254% (0.26   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  17.24 +/- 0.35   0.002% *  0.6491% (0.76   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  21.24 +/- 2.00   0.001% *  0.2502% (0.29   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  29.78 +/- 2.14   0.000% *  0.1420% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.187, support = 1.5, residual support = 16.4:
          HB    VAL   43 - HN    MET   96   3.11 +/- 0.22  99.770% * 76.2797% (0.19   1.50  16.41) =  99.992%  kept
          HG2   PRO   93 - HN    MET   96  10.51 +/- 0.38   0.081% *  2.5016% (0.46   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    MET   96  11.65 +/- 0.29   0.040% *  4.4580% (0.82   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    MET   96  12.39 +/- 0.26   0.027% *  3.7319% (0.69   0.02   0.02) =   0.001%
          QB    LYS+  65 - HN    MET   96  13.96 +/- 0.13   0.013% *  4.2927% (0.79   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HN    MET   96  11.75 +/- 0.45   0.037% *  1.4289% (0.26   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    MET   96  12.55 +/- 0.24   0.025% *  1.2815% (0.24   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    MET   96  16.78 +/- 0.35   0.004% *  4.7442% (0.87   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    MET   96  19.07 +/- 1.08   0.002% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.48, residual support = 1.87:
          QG2   THR   94 - HN    MET   96   3.90 +/- 0.16  99.736% * 95.2673% (0.85   1.48   1.87) =  99.997%  kept
          HB3   LEU   71 - HN    MET   96  12.55 +/- 0.51   0.094% *  1.3590% (0.89   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  12.46 +/- 0.68   0.100% *  0.3994% (0.26   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    MET   96  15.73 +/- 0.94   0.025% *  1.4082% (0.93   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    MET   96  15.44 +/- 0.53   0.027% *  1.2462% (0.82   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    MET   96  16.66 +/- 0.41   0.017% *  0.3198% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   4.23 +/- 0.43  94.693% * 96.6032% (0.76   2.96  16.41) =  99.962%  kept
          QG2   THR   46 - HN    MET   96   8.83 +/- 0.43   1.350% *  0.8141% (0.94   0.02   0.02) =   0.012%
          QG1   VAL   41 - HN    MET   96   8.18 +/- 0.35   2.012% *  0.4949% (0.57   0.02   0.02) =   0.011%
          QG2   VAL   18 - HN    MET   96   9.34 +/- 0.89   1.135% *  0.7874% (0.91   0.02   0.02) =   0.010%
          QD2   LEU  104 - HN    MET   96   9.85 +/- 0.50   0.665% *  0.5925% (0.69   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    MET   96  12.67 +/- 0.21   0.145% *  0.7078% (0.82   0.02   0.02) =   0.001%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.64, support = 0.0191, residual support = 0.072:
          QD1   LEU   63 - HN    MET   96   6.43 +/- 0.20  26.086% * 19.4267% (0.85   0.02   0.02) =  50.326%  kept
          QG2   VAL   41 - HN    MET   96   6.52 +/- 0.21  24.556% *  6.0227% (0.26   0.02   0.02) =  14.687%  kept
          QD2   LEU   98 - HN    MET   96   6.39 +/- 1.05  34.126% *  3.3423% (0.15   0.02   0.49) =  11.327%  kept
          QD2   LEU   63 - HN    MET   96   8.29 +/- 0.36   5.914% * 18.0932% (0.79   0.02   0.02) =  10.627%  kept
          QD1   LEU   73 - HN    MET   96   8.65 +/- 0.29   4.509% * 19.4267% (0.85   0.02   0.02) =   8.699%  kept
          QD2   LEU  115 - HN    MET   96   9.90 +/- 0.46   1.967% * 12.2638% (0.54   0.02   0.02) =   2.396%
          QD1   LEU  104 - HN    MET   96   9.67 +/- 0.54   2.288% *  6.6858% (0.29   0.02   0.02) =   1.519%
          QD2   LEU   80 - HN    MET   96  13.88 +/- 1.09   0.294% * 11.3966% (0.50   0.02   0.02) =   0.332%
          QD1   LEU   80 - HN    MET   96  14.83 +/- 1.90   0.261% *  3.3423% (0.15   0.02   0.02) =   0.087%
    Distance limit 4.89 A violated in 14 structures by 0.29 A, eliminated.
    Peak unassigned.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.389, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    MET   96   8.68 +/- 0.21  83.751% *  9.7622% (0.13   0.02   0.02) =  50.899%  kept
          QD1   ILE   89 - HN    MET   96  12.31 +/- 0.60  10.901% * 55.1266% (0.72   0.02   0.02) =  37.412%  kept
          QG2   VAL   83 - HN    MET   96  13.94 +/- 1.05   5.348% * 35.1112% (0.46   0.02   0.02) =  11.689%  kept
    Distance limit 4.71 A violated in 20 structures by 3.72 A, eliminated.
    Peak unassigned.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.89 +/- 0.10 100.000% *100.0000% (0.87   3.86  73.50) = 100.000%  kept
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.55 +/- 0.03  99.950% * 99.3261% (0.98   4.19  73.50) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  12.69 +/- 0.31   0.049% *  0.4572% (0.95   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  22.24 +/- 0.58   0.002% *  0.2167% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.991, support = 3.25, residual support = 41.1:
          HB    VAL  107 - HN    PHE   95   2.42 +/- 0.71  99.420% * 98.3895% (0.99   3.25  41.09) =  99.998%  kept
          HB3   PHE   45 - HN    PHE   95   7.49 +/- 0.24   0.503% *  0.4200% (0.69   0.02   1.89) =   0.002%
          QE    LYS+ 112 - HN    PHE   95   9.75 +/- 0.59   0.070% *  0.4200% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   95  15.68 +/- 0.58   0.006% *  0.2295% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  20.21 +/- 0.73   0.001% *  0.4200% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  23.07 +/- 0.53   0.001% *  0.1210% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.82, support = 4.1, residual support = 16.2:
          QG2   THR   94 - HN    PHE   95   2.46 +/- 0.22  72.159% * 82.5328% (0.87   4.14  14.32) =  92.902%  kept
          QG2   VAL  107 - HN    PHE   95   2.98 +/- 0.51  27.808% * 16.3633% (0.20   3.60  41.09) =   7.098%  kept
          HG13  ILE  103 - HN    PHE   95   9.75 +/- 0.27   0.021% *  0.2789% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  11.85 +/- 0.49   0.006% *  0.4123% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  12.30 +/- 1.13   0.006% *  0.2238% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  16.58 +/- 0.49   0.001% *  0.1890% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 25.3:
      O   HB    THR   94 - HN    THR   94   2.61 +/- 0.10  99.933% * 93.8033% (0.65   3.08  25.31) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94   9.92 +/- 0.62   0.037% *  0.3212% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.82 +/- 0.25   0.012% *  0.7197% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  13.11 +/- 0.43   0.006% *  0.4584% (0.49   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  16.20 +/- 0.59   0.002% *  0.9089% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  13.76 +/- 0.38   0.005% *  0.2348% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.88 +/- 0.30   0.001% *  0.8694% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  18.38 +/- 0.42   0.001% *  0.8909% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.04 +/- 0.29   0.001% *  0.5332% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  20.89 +/- 0.52   0.000% *  0.9089% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  15.76 +/- 0.30   0.002% *  0.1649% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  20.51 +/- 0.52   0.000% *  0.1864% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.2:
          HB2   PHE   45 - HN    THR   94   2.27 +/- 0.16  99.986% * 98.8926% (0.95   2.96  27.23) = 100.000%  kept
          QE    LYS+ 111 - HN    THR   94  10.58 +/- 0.50   0.011% *  0.7071% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    THR   94  12.87 +/- 0.57   0.003% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.566, support = 1.5, residual support = 27.2:
          HB3   PHE   45 - HN    THR   94   3.58 +/- 0.19  96.571% * 91.6934% (0.57   1.50  27.23) =  99.981%  kept
          HB    VAL  107 - HN    THR   94   6.64 +/- 0.69   2.898% *  0.4274% (0.20   0.02   0.02) =   0.014%
          QE    LYS+ 112 - HN    THR   94  10.36 +/- 0.81   0.206% *  1.2226% (0.57   0.02   0.02) =   0.003%
          HG3   MET   96 - HN    THR   94   9.48 +/- 0.28   0.296% *  0.6004% (0.28   0.02   1.87) =   0.002%
          HB3   ASP-  62 - HN    THR   94  14.80 +/- 0.33   0.020% *  1.4833% (0.69   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   94  18.54 +/- 0.89   0.005% *  2.1403% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   94  21.56 +/- 0.40   0.002% *  2.1403% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  24.87 +/- 1.08   0.001% *  0.2922% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.85 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 = 4.4, residual support = 15.8:
      O   HB2   PRO   93 - HN    THR   94   4.07 +/- 0.19  97.729% * 97.8399% (0.98   4.40  15.84) =  99.994%  kept
          HB    VAL  108 - HN    THR   94   8.71 +/- 0.44   1.144% *  0.3120% (0.69   0.02   0.02) =   0.004%
          HG3   PRO   52 - HN    THR   94   9.16 +/- 0.76   0.868% *  0.1867% (0.41   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    THR   94  13.78 +/- 0.50   0.069% *  0.3471% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  12.97 +/- 0.42   0.100% *  0.1867% (0.41   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  14.47 +/- 0.56   0.052% *  0.2036% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  17.35 +/- 0.31   0.017% *  0.2036% (0.45   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.16 +/- 0.65   0.013% *  0.0899% (0.20   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.43 +/- 0.45   0.004% *  0.1705% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  24.63 +/- 2.04   0.003% *  0.2211% (0.49   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  33.14 +/- 2.36   0.000% *  0.2389% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 0.897, support = 2.99, residual support = 15.8:
      O   HB3   PRO   93 - HN    THR   94   3.78 +/- 0.27  95.069% * 94.1377% (0.90   2.99  15.84) =  99.980%  kept
          HB3   ASP-  44 - HN    THR   94   6.59 +/- 0.53   3.871% *  0.3416% (0.49   0.02   0.02) =   0.015%
          QB    ALA   84 - HN    THR   94  10.59 +/- 0.52   0.232% *  0.6087% (0.87   0.02   0.02) =   0.002%
          HB3   LEU   73 - HN    THR   94  10.81 +/- 0.25   0.187% *  0.4540% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    THR   94  11.07 +/- 0.47   0.168% *  0.3973% (0.57   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    THR   94  12.16 +/- 0.23   0.092% *  0.6087% (0.87   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    THR   94  12.81 +/- 1.57   0.075% *  0.5363% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  12.77 +/- 0.47   0.072% *  0.5363% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  11.48 +/- 0.27   0.132% *  0.2634% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  13.23 +/- 0.95   0.066% *  0.1951% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.69 +/- 0.80   0.010% *  0.3973% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  19.28 +/- 0.62   0.006% *  0.4540% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.56 +/- 0.88   0.004% *  0.4821% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  16.90 +/- 0.35   0.013% *  0.1229% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  21.69 +/- 0.84   0.003% *  0.3416% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.94 +/- 2.15   0.002% *  0.1229% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.341, support = 3.51, residual support = 25.3:
          QG2   THR   94 - HN    THR   94   3.75 +/- 0.09  99.440% * 94.3501% (0.34   3.51  25.31) =  99.993%  kept
          HG3   LYS+ 111 - HN    THR   94   9.70 +/- 0.66   0.351% *  1.3148% (0.84   0.02   0.02) =   0.005%
          HG12  ILE   89 - HN    THR   94  12.45 +/- 0.37   0.075% *  1.2030% (0.76   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    THR   94  13.16 +/- 1.16   0.063% *  1.1430% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    THR   94  13.42 +/- 0.55   0.050% *  0.4858% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  17.06 +/- 0.72   0.012% *  1.2604% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  17.81 +/- 0.83   0.009% *  0.2429% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 0.888, support = 0.0198, residual support = 0.0198:
          QG2   ILE   89 - HN    THR   94   7.66 +/- 0.34  96.985% * 76.3346% (0.90   0.02   0.02) =  99.045%  kept
          QG1   VAL   83 - HN    THR   94  13.71 +/- 0.88   3.015% * 23.6654% (0.28   0.02   0.02) =   0.955%
    Distance limit 4.81 A violated in 20 structures by 2.85 A, eliminated.
    Peak unassigned.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.183, support = 3.83, residual support = 59.4:
          HG3   MET   92 - HN    MET   92   3.83 +/- 0.33  94.564% * 40.3551% (0.14   4.04  63.50) =  93.472%  kept
          QG    GLN   90 - HN    MET   92   6.94 +/- 0.91   5.137% * 51.8002% (0.87   0.81   0.02) =   6.518%  kept
          HB2   ASP-  44 - HN    MET   92  11.18 +/- 1.52   0.264% *  1.4458% (0.98   0.02   0.02) =   0.009%
          HB3   PHE   72 - HN    MET   92  17.04 +/- 1.32   0.016% *  1.3616% (0.92   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    MET   92  17.14 +/- 0.39   0.013% *  0.7760% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  23.66 +/- 1.46   0.002% *  1.4750% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  25.90 +/- 2.54   0.001% *  1.4234% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  22.40 +/- 1.70   0.003% *  0.2919% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  32.94 +/- 2.98   0.000% *  1.0710% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 63.5:
      O   HB2   MET   92 - HN    MET   92   2.43 +/- 0.25  99.695% * 97.6996% (1.00   3.94  63.50) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.89 +/- 0.43   0.260% *  0.0871% (0.18   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  10.42 +/- 0.29   0.019% *  0.3218% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  12.17 +/- 2.14   0.019% *  0.1107% (0.22   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  12.75 +/- 0.38   0.005% *  0.1240% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  17.63 +/- 0.60   0.001% *  0.4800% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  19.90 +/- 1.51   0.000% *  0.4705% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  27.90 +/- 1.26   0.000% *  0.3983% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  22.02 +/- 1.19   0.000% *  0.0673% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  28.42 +/- 3.12   0.000% *  0.0871% (0.18   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  36.85 +/- 3.40   0.000% *  0.1535% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.22, residual support = 63.5:
      O   HB3   MET   92 - HN    MET   92   3.51 +/- 0.15  92.774% * 95.9280% (0.57   4.22  63.50) =  99.984%  kept
          HG3   PRO   93 - HN    MET   92   5.99 +/- 0.62   4.819% *  0.1588% (0.20   0.02   1.36) =   0.009%
          HB    ILE   89 - HN    MET   92   7.50 +/- 1.65   1.988% *  0.2001% (0.25   0.02   0.02) =   0.004%
          QG1   ILE   56 - HN    MET   92   9.04 +/- 0.41   0.346% *  0.6131% (0.76   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HN    MET   92  14.67 +/- 0.64   0.018% *  0.7195% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  14.77 +/- 1.53   0.022% *  0.5826% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  13.71 +/- 1.32   0.030% *  0.3597% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  22.19 +/- 0.54   0.002% *  0.7406% (0.92   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  22.65 +/- 0.52   0.001% *  0.5190% (0.65   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  25.04 +/- 0.27   0.001% *  0.1786% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.998, support = 3.55, residual support = 14.2:
          QB    ALA   91 - HN    MET   92   3.01 +/- 0.37  99.267% * 96.7001% (1.00   3.55  14.20) =  99.997%  kept
          QG2   ILE   56 - HN    MET   92   7.40 +/- 0.45   0.655% *  0.3750% (0.69   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HN    MET   92  11.81 +/- 1.91   0.059% *  0.3532% (0.65   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  15.24 +/- 1.85   0.011% *  0.1080% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  18.25 +/- 0.91   0.003% *  0.2657% (0.49   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  20.51 +/- 0.77   0.001% *  0.5447% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  20.87 +/- 1.72   0.001% *  0.4736% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  22.43 +/- 1.68   0.001% *  0.3311% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  25.01 +/- 0.63   0.000% *  0.3750% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  28.77 +/- 1.61   0.000% *  0.4736% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.607, support = 2.49, residual support = 7.95:
          HA    ILE   89 - HN    ALA   91   3.91 +/- 0.28  99.808% * 96.1985% (0.61   2.49   7.95) = 100.000%  kept
          HB3   SER   82 - HN    ALA   91  14.36 +/- 0.50   0.046% *  0.2233% (0.18   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   91  19.58 +/- 0.23   0.007% *  1.2061% (0.95   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.71 +/- 0.73   0.026% *  0.0956% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  15.78 +/- 0.98   0.028% *  0.0706% (0.06   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  18.62 +/- 2.70   0.027% *  0.0648% (0.05   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27  14.29 +/- 0.41   0.046% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  19.09 +/- 1.03   0.008% *  0.0956% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  28.20 +/- 0.98   0.001% *  0.5716% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  29.86 +/- 1.12   0.001% *  0.7733% (0.61   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  23.53 +/- 0.54   0.002% *  0.1490% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  30.12 +/- 2.23   0.001% *  0.5242% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.726, support = 4.96, residual support = 32.9:
          HB2   GLN   90 - HN    ALA   91   3.74 +/- 0.61  66.056% * 98.1068% (0.73   4.96  32.93) =  99.979%  kept
          HG3   GLU-  29 - HN    TRP   27   4.73 +/- 0.12  18.159% *  0.0604% (0.11   0.02   0.02) =   0.017%
          HB2   GLU-  25 - HN    TRP   27   4.96 +/- 0.09  13.147% *  0.0133% (0.02   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HN    TRP   27   6.77 +/- 0.15   2.088% *  0.0354% (0.07   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ALA   91  11.50 +/- 0.41   0.089% *  0.1078% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    TRP   27   8.87 +/- 0.19   0.414% *  0.0133% (0.02   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.31 +/- 0.25   0.036% *  0.0168% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  23.73 +/- 0.75   0.001% *  0.4884% (0.90   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  21.12 +/- 1.03   0.003% *  0.1078% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  19.34 +/- 1.20   0.004% *  0.0637% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  25.79 +/- 0.75   0.001% *  0.2865% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  31.51 +/- 1.11   0.000% *  0.5152% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  21.12 +/- 0.65   0.002% *  0.0489% (0.09   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  27.80 +/- 1.00   0.000% *  0.1358% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.991, support = 4.96, residual support = 32.9:
          HB3   GLN   90 - HN    ALA   91   3.31 +/- 0.67  90.881% * 96.1706% (0.99   4.96  32.93) =  99.995%  kept
          HB2   MET   92 - HN    ALA   91   5.43 +/- 0.76   5.406% *  0.0603% (0.15   0.02  14.20) =   0.004%
          QB    LYS+  81 - HN    ALA   91  10.53 +/- 1.09   0.125% *  0.3775% (0.97   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    TRP   27   6.26 +/- 0.31   3.052% *  0.0121% (0.03   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.43 +/- 0.55   0.283% *  0.0483% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ALA   91  10.48 +/- 1.20   0.126% *  0.0975% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  13.13 +/- 0.54   0.032% *  0.2214% (0.57   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   91  15.44 +/- 0.64   0.018% *  0.3700% (0.95   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   91  14.72 +/- 1.05   0.015% *  0.3775% (0.97   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  20.31 +/- 0.78   0.003% *  0.3834% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  14.04 +/- 0.30   0.024% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  22.07 +/- 1.05   0.002% *  0.3700% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  24.21 +/- 0.85   0.001% *  0.3911% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  17.21 +/- 0.70   0.006% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  22.20 +/- 0.69   0.002% *  0.0975% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.02 +/- 0.63   0.003% *  0.0474% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  19.67 +/- 0.81   0.003% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  21.06 +/- 0.47   0.002% *  0.0479% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  30.95 +/- 0.41   0.000% *  0.3611% (0.92   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  22.39 +/- 0.70   0.002% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.39 +/- 0.94   0.003% *  0.0199% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  22.77 +/- 0.35   0.001% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  21.64 +/- 0.42   0.002% *  0.0274% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  27.37 +/- 0.51   0.000% *  0.0975% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  30.88 +/- 0.99   0.000% *  0.1608% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  18.13 +/- 2.22   0.004% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.72 +/- 0.75   0.001% *  0.0121% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  27.93 +/- 0.71   0.000% *  0.0121% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 4 structures by 0.04 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.62, residual support = 14.2:
      O   QB    ALA   91 - HN    ALA   91   2.51 +/- 0.28  97.883% * 96.2076% (0.92   3.62  14.22) =  99.999%  kept
          QG2   THR   23 - HN    TRP   27   5.42 +/- 0.56   1.966% *  0.0293% (0.05   0.02   2.32) =   0.001%
          QG2   ILE   56 - HN    ALA   91   9.61 +/- 0.44   0.041% *  0.5322% (0.92   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.75 +/- 0.31   0.034% *  0.0544% (0.09   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.19 +/- 0.22   0.026% *  0.0432% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  14.02 +/- 0.35   0.004% *  0.2164% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  10.46 +/- 0.56   0.023% *  0.0267% (0.05   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  15.58 +/- 0.64   0.002% *  0.2370% (0.41   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  11.76 +/- 1.12   0.013% *  0.0243% (0.04   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  13.61 +/- 0.67   0.004% *  0.0658% (0.11   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  20.57 +/- 0.67   0.000% *  0.4406% (0.76   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  15.83 +/- 0.36   0.002% *  0.0658% (0.11   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  16.46 +/- 0.42   0.001% *  0.0658% (0.11   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  23.09 +/- 0.98   0.000% *  0.5322% (0.92   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  23.38 +/- 0.41   0.000% *  0.3497% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.81 +/- 1.15   0.001% *  0.0711% (0.12   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  25.20 +/- 1.26   0.000% *  0.1966% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  31.61 +/- 1.38   0.000% *  0.5752% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.53 +/- 0.79   0.001% *  0.0293% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  28.19 +/- 0.88   0.000% *  0.2370% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (2.48, 6.80, 112.00 ppm):
    8 chemical-shift based assignments, quality = 0.256, support = 0.0199, residual support = 0.0199:
          HG2   GLU-  36 - HE22  GLN   32   6.77 +/- 1.03  90.486% *  7.7282% (0.20   0.02   0.02) =  80.155%  kept
          HB3   TRP   87 - HE22  GLN   90  10.50 +/- 1.55   9.118% * 18.6359% (0.49   0.02   0.02) =  19.477%  kept
          HG3   MET   96 - HE22  GLN   32  19.25 +/- 1.37   0.244% *  4.5337% (0.12   0.02   0.02) =   0.127%
          HG3   GLN  116 - HE22  GLN   90  26.29 +/- 1.76   0.044% * 21.6759% (0.57   0.02   0.02) =   0.109%
          HG3   MET   96 - HE22  GLN   90  23.59 +/- 0.95   0.067% * 11.8170% (0.31   0.02   0.02) =   0.090%
          HB3   TRP   87 - HE22  GLN   32  27.59 +/- 2.01   0.031% *  7.1499% (0.19   0.02   0.02) =   0.026%
          HG2   GLU-  36 - HE22  GLN   90  37.00 +/- 1.24   0.005% * 20.1433% (0.53   0.02   0.02) =   0.011%
          HG3   GLN  116 - HE22  GLN   32  36.77 +/- 0.68   0.005% *  8.3162% (0.22   0.02   0.02) =   0.005%
    Distance limit 5.50 A violated in 16 structures by 1.21 A, eliminated.
    Peak unassigned.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 159.5:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.92 +/- 0.01  99.993% * 96.9750% (0.18   5.16 159.45) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.81 +/- 0.55   0.006% *  0.8827% (0.41   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  21.38 +/- 0.66   0.001% *  2.1423% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.607, support = 3.14, residual support = 12.6:
      O   HA1   GLY  101 - HN    LYS+ 102   3.40 +/- 0.14  99.853% * 96.2418% (0.61   3.14  12.57) =  99.999%  kept
          HA    ALA   34 - HN    LYS+ 102  10.79 +/- 1.12   0.118% *  0.4150% (0.41   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+ 102  14.83 +/- 1.07   0.016% *  0.2517% (0.25   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  20.70 +/- 1.04   0.002% *  1.0005% (0.99   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  20.43 +/- 1.00   0.002% *  0.7715% (0.76   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.75 +/- 0.33   0.004% *  0.2807% (0.28   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  20.33 +/- 0.64   0.002% *  0.3116% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.09 +/- 1.10   0.003% *  0.1558% (0.15   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  25.16 +/- 0.39   0.001% *  0.5715% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 3.14, residual support = 12.6:
      O   HA2   GLY  101 - HN    LYS+ 102   3.16 +/- 0.36  99.996% * 97.9896% (0.28   3.14  12.57) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  18.20 +/- 1.07   0.004% *  1.0052% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  23.49 +/- 0.31   0.001% *  1.0052% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.764, support = 0.019, residual support = 0.019:
          QB    GLU-  15 - HN    LYS+ 102  17.69 +/- 1.65  18.806% * 13.6482% (0.95   0.02   0.02) =  24.336%  kept
          QB    GLU- 114 - HN    LYS+ 102  17.47 +/- 0.99  19.272% * 12.0512% (0.84   0.02   0.02) =  22.020%  kept
          HB    ILE   19 - HN    LYS+ 102  17.46 +/- 0.65  18.230% * 11.0262% (0.76   0.02   0.02) =  19.058%  kept
          HG2   PRO   68 - HN    LYS+ 102  20.54 +/- 0.59   6.903% *  9.9106% (0.69   0.02   0.02) =   6.486%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  21.73 +/- 0.83   5.026% * 12.9393% (0.90   0.02   0.02) =   6.167%  kept
          HB3   PRO   68 - HN    LYS+ 102  20.47 +/- 0.54   7.001% *  8.7509% (0.61   0.02   0.02) =   5.809%  kept
          HG3   GLN   30 - HN    LYS+ 102  17.76 +/- 1.03  17.014% *  3.5976% (0.25   0.02   0.02) =   5.804%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.54 +/- 1.12   3.979% * 14.4279% (1.00   0.02   0.02) =   5.443%  kept
          HB2   GLN   17 - HN    LYS+ 102  22.67 +/- 0.71   3.769% * 13.6482% (0.95   0.02   0.02) =   4.878%
    Distance limit 4.76 A violated in 20 structures by 8.43 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.66, residual support = 159.5:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.46 +/- 0.16  99.426% * 97.6583% (0.98   4.66 159.45) =  99.999%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.15 +/- 0.44   0.484% *  0.1917% (0.45   0.02  22.37) =   0.001%
          HB    VAL   41 - HN    LYS+ 102   8.84 +/- 1.23   0.082% *  0.2594% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  12.66 +/- 0.73   0.006% *  0.3835% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  17.11 +/- 0.41   0.001% *  0.3424% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.17 +/- 0.35   0.000% *  0.3947% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  23.28 +/- 0.39   0.000% *  0.4191% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  22.48 +/- 1.04   0.000% *  0.1605% (0.38   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  21.11 +/- 0.46   0.000% *  0.0952% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.67 +/- 0.73   0.000% *  0.0952% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.19, residual support = 142.8:
          HG2   LYS+ 102 - HN    LYS+ 102   3.34 +/- 0.37  82.238% * 60.0548% (0.28   4.40 159.45) =  89.521%  kept
          QB    LEU   98 - HN    LYS+ 102   4.56 +/- 0.61  17.697% * 32.6655% (0.28   2.39   0.90) =  10.478%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  13.59 +/- 1.41   0.023% *  0.5564% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  14.64 +/- 0.63   0.014% *  0.7510% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  14.73 +/- 1.39   0.016% *  0.3688% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  19.29 +/- 1.00   0.003% *  0.9805% (1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  20.17 +/- 0.25   0.002% *  0.9805% (1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.84 +/- 0.37   0.002% *  0.8813% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  18.61 +/- 0.99   0.003% *  0.5564% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  20.65 +/- 0.58   0.002% *  0.5170% (0.53   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  23.27 +/- 1.61   0.001% *  0.9740% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  24.56 +/- 1.44   0.001% *  0.7136% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.7, support = 0.727, residual support = 0.447:
          QD2   LEU  104 - HN    LYS+ 102   3.92 +/- 0.63  72.820% * 34.0111% (0.95   0.21   0.24) =  68.120%  kept
          QD1   LEU   98 - HN    LYS+ 102   5.37 +/- 1.43  21.255% * 54.2002% (0.18   1.84   0.90) =  31.686%  kept
          QG1   VAL   41 - HN    LYS+ 102   6.08 +/- 0.59   5.589% *  1.1500% (0.34   0.02   0.02) =   0.177%
          QG1   VAL   43 - HN    LYS+ 102   9.69 +/- 0.58   0.306% *  1.7738% (0.53   0.02   0.02) =   0.015%
          QD1   ILE   19 - HN    LYS+ 102  16.07 +/- 0.67   0.014% *  3.3639% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+ 102  16.74 +/- 0.84   0.012% *  2.5765% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  19.08 +/- 0.60   0.005% *  2.9245% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.16, residual support = 37.5:
      O   HA    ILE   89 - HN    GLN   90   2.20 +/- 0.02  99.998% * 98.6338% (0.61   6.16  37.48) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  13.14 +/- 0.40   0.002% *  0.0925% (0.18   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  21.39 +/- 0.26   0.000% *  0.4995% (0.95   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  29.44 +/- 1.11   0.000% *  0.2368% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  30.97 +/- 1.09   0.000% *  0.3203% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  31.42 +/- 2.32   0.000% *  0.2171% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 6.1, residual support = 95.3:
          QG    GLN   90 - HN    GLN   90   2.87 +/- 0.80  95.226% * 97.9586% (0.90   6.10  95.33) =  99.989%  kept
          HG3   MET   92 - HN    GLN   90   6.05 +/- 1.88   4.761% *  0.2171% (0.61   0.02   0.02) =   0.011%
          HB2   ASP-  44 - HN    GLN   90  15.87 +/- 0.77   0.008% *  0.2599% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  21.64 +/- 0.94   0.001% *  0.2990% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  22.38 +/- 0.44   0.001% *  0.3548% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  24.69 +/- 0.83   0.001% *  0.2599% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  22.24 +/- 0.42   0.001% *  0.0893% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  27.47 +/- 0.98   0.000% *  0.2171% (0.61   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  29.31 +/- 1.67   0.000% *  0.2735% (0.76   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  36.35 +/- 2.55   0.000% *  0.0708% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.923, support = 5.67, residual support = 95.3:
      O   HB3   GLN   90 - HN    GLN   90   2.93 +/- 0.49  97.997% * 96.9048% (0.92   5.67  95.33) =  99.997%  kept
          HB2   MET   92 - HN    GLN   90   6.55 +/- 1.08   1.867% *  0.1390% (0.38   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    GLN   90   9.60 +/- 0.92   0.117% *  0.3575% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  15.23 +/- 0.43   0.007% *  0.3214% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   90  16.41 +/- 0.45   0.004% *  0.3631% (0.98   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  16.65 +/- 0.75   0.004% *  0.2690% (0.73   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  21.81 +/- 0.74   0.001% *  0.2831% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  22.97 +/- 0.85   0.001% *  0.2545% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  25.05 +/- 0.90   0.000% *  0.3214% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  23.12 +/- 0.75   0.001% *  0.1949% (0.53   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  22.44 +/- 0.41   0.001% *  0.0825% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  31.96 +/- 0.93   0.000% *  0.2690% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  32.75 +/- 0.52   0.000% *  0.2397% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.01, residual support = 37.5:
          QG2   ILE   89 - HN    GLN   90   3.04 +/- 0.28 100.000% *100.0000% (0.65   7.01  37.48) = 100.000%  kept
    Distance limit 4.10 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 = 0.487, support = 5.6, residual support = 37.5:
          QD1   ILE   89 - HN    GLN   90   3.88 +/- 0.50  98.761% * 99.5234% (0.49   5.60  37.48) =  99.998%  kept
          QG2   VAL   83 - HN    GLN   90   8.53 +/- 0.28   1.131% *  0.1820% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   75 - HN    GLN   90  12.58 +/- 0.53   0.098% *  0.1820% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   42 - HN    GLN   90  18.64 +/- 0.56   0.010% *  0.1126% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 3.98, residual support = 5.53:
      O   HA    ALA   88 - HN    ILE   89   2.89 +/- 0.11  97.883% * 97.0671% (0.99   3.98   5.53) =  99.997%  kept
          QB    SER   85 - HN    ILE   89   5.54 +/- 0.13   2.038% *  0.1096% (0.22   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    ILE   89   9.97 +/- 0.27   0.061% *  0.3184% (0.65   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  13.92 +/- 1.04   0.008% *  0.4750% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  14.03 +/- 0.85   0.008% *  0.4269% (0.87   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  24.13 +/- 0.62   0.000% *  0.2786% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  26.48 +/- 0.97   0.000% *  0.4824% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  24.60 +/- 0.84   0.000% *  0.2589% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  29.34 +/- 0.84   0.000% *  0.1847% (0.38   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  26.93 +/- 0.75   0.000% *  0.0759% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  29.71 +/- 0.37   0.000% *  0.1368% (0.28   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  28.87 +/- 0.55   0.000% *  0.0759% (0.15   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  31.81 +/- 0.58   0.000% *  0.1096% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.93, residual support = 213.0:
      O   HA    ILE   89 - HN    ILE   89   2.84 +/- 0.03  99.999% * 98.3379% (0.34   5.93 213.00) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  24.05 +/- 0.68   0.000% *  0.7056% (0.73   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  22.74 +/- 0.28   0.000% *  0.2163% (0.22   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  31.10 +/- 0.82   0.000% *  0.3315% (0.34   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  29.90 +/- 1.04   0.000% *  0.2163% (0.22   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  32.29 +/- 2.43   0.000% *  0.1923% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 5.5, residual support = 213.0:
      O   HB    ILE   89 - HN    ILE   89   2.46 +/- 0.18  99.865% * 98.8895% (0.45   5.50 213.00) = 100.000%  kept
          QD    LYS+  81 - HN    ILE   89   7.84 +/- 0.89   0.134% *  0.3593% (0.45   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    ILE   89  17.06 +/- 0.47   0.001% *  0.4217% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  28.40 +/- 0.56   0.000% *  0.3295% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 213.0:
          HG12  ILE   89 - HN    ILE   89   2.12 +/- 0.28  99.885% * 97.8731% (0.76   5.64 213.00) = 100.000%  kept
          QB    ALA   91 - HN    ILE   89   7.49 +/- 0.58   0.113% *  0.1401% (0.31   0.02   7.95) =   0.000%
          HG2   LYS+  74 - HN    ILE   89  16.83 +/- 0.68   0.001% *  0.3937% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  18.35 +/- 1.05   0.000% *  0.3118% (0.69   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  25.32 +/- 0.60   0.000% *  0.2936% (0.65   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  26.99 +/- 1.29   0.000% *  0.4071% (0.90   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  24.82 +/- 0.86   0.000% *  0.1401% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  30.03 +/- 0.66   0.000% *  0.3791% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  32.50 +/- 1.21   0.000% *  0.0614% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 213.0:
          QG2   ILE   89 - HN    ILE   89   3.70 +/- 0.06  98.606% * 99.7824% (1.00   6.24 213.00) =  99.998%  kept
          QG1   VAL   83 - HN    ILE   89   7.56 +/- 0.21   1.393% *  0.1682% (0.53   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ILE   89  24.08 +/- 0.70   0.001% *  0.0493% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 5.46, residual support = 213.0:
          HG13  ILE   89 - HN    ILE   89   3.30 +/- 0.34 100.000% *100.0000% (0.90   5.46 213.00) = 100.000%  kept
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 10.8:
      O   HA    ALA   88 - HN    ALA   88   2.25 +/- 0.02  99.983% * 91.6032% (0.84   1.63  10.75) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.81 +/- 0.48   0.015% *  1.2050% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  16.41 +/- 0.88   0.001% *  1.3170% (0.98   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  16.57 +/- 0.87   0.001% *  0.8149% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  26.25 +/- 0.77   0.000% *  1.0759% (0.80   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  26.85 +/- 0.51   0.000% *  1.1223% (0.84   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  28.24 +/- 0.93   0.000% *  1.0759% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  31.32 +/- 0.77   0.000% *  0.8692% (0.65   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  29.61 +/- 0.84   0.000% *  0.4583% (0.34   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  31.43 +/- 0.51   0.000% *  0.4583% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.726, support = 1.82, residual support = 10.7:
      O   QB    ALA   88 - HN    ALA   88   2.66 +/- 0.10  97.330% * 91.1361% (0.73   1.82  10.75) =  99.993%  kept
          QB    ALA   84 - HN    ALA   88   4.95 +/- 0.24   2.610% *  0.2124% (0.15   0.02   0.02) =   0.006%
          HB3   LEU   80 - HN    ALA   88  10.64 +/- 0.50   0.025% *  0.9454% (0.69   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   88  10.07 +/- 0.31   0.034% *  0.4695% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  20.88 +/- 1.13   0.000% *  1.2343% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  20.94 +/- 0.60   0.000% *  0.6170% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  23.93 +/- 0.87   0.000% *  1.1496% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  27.29 +/- 0.35   0.000% *  0.7792% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  24.40 +/- 1.36   0.000% *  0.3064% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  32.10 +/- 0.54   0.000% *  1.3763% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  34.31 +/- 0.81   0.000% *  1.3490% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  32.32 +/- 1.04   0.000% *  0.4248% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 3.84, residual support = 69.2:
      O   HB2   TRP   87 - HN    TRP   87   3.69 +/- 0.08  99.988% * 99.1873% (0.73   3.84  69.21) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  16.98 +/- 0.37   0.011% *  0.2427% (0.34   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  23.56 +/- 0.22   0.001% *  0.4602% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  32.19 +/- 0.55   0.000% *  0.1098% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 3.81, residual support = 22.4:
          HB2   ASP-  86 - HN    TRP   87   3.38 +/- 0.10  99.894% * 97.4003% (0.80   3.81  22.37) = 100.000%  kept
          HB2   ASP-  78 - HN    TRP   87  11.33 +/- 0.78   0.079% *  0.3357% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  13.75 +/- 0.71   0.024% *  0.0985% (0.15   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    TRP   87  19.69 +/- 0.90   0.003% *  0.6381% (1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  27.06 +/- 1.28   0.000% *  0.6255% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  28.81 +/- 1.02   0.000% *  0.6158% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  26.93 +/- 1.04   0.000% *  0.2861% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 3.37, residual support = 69.2:
      O   HB3   TRP   87 - HN    TRP   87   2.56 +/- 0.12  99.999% * 99.1361% (1.00   3.37  69.21) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  18.74 +/- 1.41   0.001% *  0.2867% (0.49   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  29.99 +/- 1.15   0.000% *  0.5773% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.16, residual support = 5.1:
          QB    ALA   88 - HN    TRP   87   4.31 +/- 0.12  99.084% * 96.5577% (0.53   2.16   5.10) =  99.986%  kept
          QG2   THR   77 - HN    TRP   87   9.64 +/- 0.31   0.829% *  1.5264% (0.90   0.02   0.02) =   0.013%
          QG2   THR   23 - HN    TRP   87  14.54 +/- 1.05   0.081% *  0.8955% (0.53   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    TRP   87  22.13 +/- 0.52   0.006% *  0.3789% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  32.69 +/- 0.82   0.001% *  0.3789% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  30.73 +/- 0.56   0.001% *  0.2626% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.849, support = 1.68, residual support = 15.8:
          QD1   ILE   89 - HN    TRP   87   4.88 +/- 0.16  37.860% * 68.7457% (0.76   2.32  13.80) =  57.807%  kept
          QG2   VAL   83 - HN    TRP   87   4.48 +/- 0.18  62.122% * 30.5804% (0.97   0.82  18.65) =  42.193%  kept
          QD2   LEU   31 - HN    TRP   87  17.51 +/- 0.72   0.018% *  0.6739% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.448, support = 0.986, residual support = 18.6:
          QG2   VAL   83 - HE1   TRP   87   3.22 +/- 0.45  97.605% * 96.8229% (0.45   0.99  18.65) =  99.920%  kept
          QD1   ILE   89 - HE1   TRP   87   6.45 +/- 0.41   2.395% *  3.1771% (0.73   0.02  13.80) =   0.080%
    Distance limit 4.89 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 = 0.764, support = 3.33, residual support = 13.3:
          QB    SER   85 - HN    ASP-  86   2.90 +/- 0.12  96.445% * 96.0037% (0.76   3.33  13.31) =  99.985%  kept
          HA    ALA   88 - HN    ASP-  86   5.40 +/- 0.14   2.417% *  0.5179% (0.69   0.02   0.02) =   0.014%
          HB2   SER   82 - HN    ASP-  86   6.22 +/- 0.51   1.119% *  0.1163% (0.15   0.02   0.02) =   0.001%
          QB    SER   48 - HN    ASP-  86  13.45 +/- 1.32   0.011% *  0.1679% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  18.49 +/- 0.92   0.002% *  0.6762% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  16.53 +/- 1.11   0.003% *  0.3380% (0.45   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ASP-  86  16.22 +/- 1.11   0.004% *  0.1163% (0.15   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  26.30 +/- 0.87   0.000% *  0.5475% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  32.38 +/- 0.22   0.000% *  0.6298% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  33.81 +/- 0.45   0.000% *  0.5762% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  35.23 +/- 0.80   0.000% *  0.3100% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.607, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   3.17 +/- 0.04  99.995% * 95.3192% (0.61   2.25  10.83) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  19.66 +/- 0.50   0.002% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  19.24 +/- 1.12   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  25.62 +/- 0.49   0.000% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  26.30 +/- 0.36   0.000% *  0.9596% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  30.78 +/- 1.17   0.000% *  0.7909% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 4.87, residual support = 41.0:
      O   HB2   ASP-  86 - HN    ASP-  86   2.33 +/- 0.26  99.989% * 98.4818% (0.98   4.87  40.96) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  86  11.17 +/- 0.65   0.011% *  0.1146% (0.28   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  86  19.07 +/- 0.68   0.000% *  0.3698% (0.90   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  26.85 +/- 1.17   0.000% *  0.3302% (0.80   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  26.94 +/- 1.03   0.000% *  0.2994% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  29.32 +/- 1.05   0.000% *  0.4042% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 3.56, residual support = 41.0:
      O   HB3   ASP-  86 - HN    ASP-  86   2.88 +/- 0.48  99.998% * 96.0953% (0.41   3.56  40.96) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  21.43 +/- 1.08   0.001% *  1.3022% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  23.41 +/- 0.66   0.000% *  0.3653% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  31.07 +/- 0.40   0.000% *  1.0974% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  31.66 +/- 0.79   0.000% *  1.1397% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 16.0:
      O   QB    SER   85 - HN    SER   85   2.18 +/- 0.05  99.106% * 95.7822% (0.76   3.15  16.04) =  99.997%  kept
          HA    ALA   88 - HN    SER   85   5.34 +/- 0.32   0.512% *  0.5466% (0.69   0.02   0.02) =   0.003%
          HB2   SER   82 - HN    SER   85   5.57 +/- 0.15   0.372% *  0.1228% (0.15   0.02   2.00) =   0.000%
          QB    SER   48 - HN    SER   85  11.34 +/- 1.37   0.007% *  0.1772% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  14.27 +/- 1.20   0.001% *  0.3568% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  16.94 +/- 0.98   0.000% *  0.7137% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  15.57 +/- 0.98   0.001% *  0.1228% (0.15   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  25.79 +/- 0.70   0.000% *  0.5779% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  30.78 +/- 0.34   0.000% *  0.6647% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  32.21 +/- 0.33   0.000% *  0.6082% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  34.31 +/- 0.68   0.000% *  0.3272% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 17.3:
      O   HA    ALA   84 - HN    SER   85   3.57 +/- 0.02  99.935% * 96.1656% (0.49   3.27  17.29) = 100.000%  kept
          HB2   TRP   49 - HN    SER   85  14.20 +/- 1.24   0.031% *  0.8307% (0.69   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    SER   85  14.10 +/- 0.24   0.027% *  0.6363% (0.53   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  18.19 +/- 0.96   0.006% *  0.3733% (0.31   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  24.53 +/- 0.43   0.001% *  0.3363% (0.28   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  29.65 +/- 0.67   0.000% *  0.9243% (0.76   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  29.54 +/- 0.88   0.000% *  0.7335% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 0.998, support = 3.27, residual support = 17.3:
          QB    ALA   84 - HN    SER   85   2.77 +/- 0.11  99.616% * 95.1938% (1.00   3.27  17.29) =  99.999%  kept
          HB3   LEU   80 - HN    SER   85   7.06 +/- 0.37   0.378% *  0.3073% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   85  17.70 +/- 0.49   0.001% *  0.5840% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  19.59 +/- 0.66   0.001% *  0.4463% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  18.98 +/- 0.70   0.001% *  0.2192% (0.38   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  23.46 +/- 1.26   0.000% *  0.5636% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  21.33 +/- 0.65   0.000% *  0.2192% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  24.85 +/- 1.24   0.000% *  0.3542% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  22.65 +/- 1.14   0.000% *  0.1803% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  26.38 +/- 0.37   0.000% *  0.3778% (0.65   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  24.02 +/- 0.38   0.000% *  0.1803% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  26.28 +/- 0.92   0.000% *  0.2843% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  32.45 +/- 0.97   0.000% *  0.5238% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  30.42 +/- 1.44   0.000% *  0.2401% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  28.06 +/- 0.89   0.000% *  0.1456% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  30.29 +/- 1.07   0.000% *  0.1803% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 3.99, residual support = 17.0:
      O   HA    ALA   84 - HN    ALA   84   2.82 +/- 0.02  99.973% * 96.8357% (0.49   3.99  16.96) = 100.000%  kept
          HA    VAL   75 - HN    ALA   84  11.93 +/- 0.31   0.018% *  0.5251% (0.53   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  14.39 +/- 0.94   0.006% *  0.6856% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  17.24 +/- 1.11   0.002% *  0.3080% (0.31   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  23.25 +/- 0.40   0.000% *  0.2775% (0.28   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  27.87 +/- 0.74   0.000% *  0.7627% (0.76   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  27.80 +/- 1.02   0.000% *  0.6054% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 5.3, residual support = 42.0:
          HB    VAL   83 - HN    ALA   84   2.95 +/- 0.17  99.954% * 97.8385% (0.99   5.30  42.01) = 100.000%  kept
          HB3   MET   92 - HN    ALA   84  12.47 +/- 2.80   0.032% *  0.0652% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.79 +/- 0.50   0.005% *  0.1959% (0.53   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA   84  15.40 +/- 0.76   0.006% *  0.1530% (0.41   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  17.76 +/- 0.36   0.002% *  0.0652% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  26.67 +/- 0.64   0.000% *  0.3593% (0.97   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  25.23 +/- 1.12   0.000% *  0.2703% (0.73   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  28.10 +/- 0.92   0.000% *  0.3690% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  29.10 +/- 0.88   0.000% *  0.3521% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  23.93 +/- 1.48   0.000% *  0.0928% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  23.52 +/- 1.32   0.000% *  0.0574% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  33.95 +/- 0.72   0.000% *  0.1812% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 1 structures by 0.01 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 3.89, residual support = 17.0:
      O   QB    ALA   84 - HN    ALA   84   2.09 +/- 0.09  98.961% * 95.2634% (0.87   3.89  16.96) =  99.998%  kept
          HB3   LEU   80 - HN    ALA   84   4.66 +/- 0.46   1.037% *  0.1571% (0.28   0.02   0.14) =   0.002%
          HB3   PRO   93 - HN    ALA   84  16.41 +/- 0.46   0.000% *  0.5067% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  16.58 +/- 0.71   0.000% *  0.3655% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  17.62 +/- 0.67   0.000% *  0.2750% (0.49   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  21.14 +/- 1.28   0.000% *  0.4318% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  22.96 +/- 1.40   0.000% *  0.4901% (0.87   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  21.77 +/- 0.43   0.000% *  0.3199% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  18.84 +/- 0.62   0.000% *  0.0990% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  25.40 +/- 1.03   0.000% *  0.4318% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  25.58 +/- 0.89   0.000% *  0.2750% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  24.45 +/- 0.40   0.000% *  0.2121% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  28.22 +/- 1.49   0.000% *  0.3881% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  28.38 +/- 1.03   0.000% *  0.3199% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  30.93 +/- 1.06   0.000% *  0.3655% (0.65   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  29.22 +/- 2.78   0.000% *  0.0990% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.686, support = 5.86, residual support = 42.0:
          QG1   VAL   83 - HN    ALA   84   4.00 +/- 0.08  87.748% * 98.0156% (0.69   5.87  42.01) =  99.935%  kept
          QD2   LEU   80 - HN    ALA   84   5.60 +/- 0.32  12.196% *  0.4601% (0.95   0.02   0.14) =   0.065%
          QD1   LEU   73 - HN    ALA   84  14.16 +/- 0.33   0.045% *  0.2950% (0.61   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   84  20.11 +/- 0.54   0.006% *  0.2950% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  21.91 +/- 0.72   0.003% *  0.4490% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  23.60 +/- 0.87   0.002% *  0.4853% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 6.36, residual support = 42.0:
          QG2   VAL   83 - HN    ALA   84   3.52 +/- 0.40  96.522% * 99.3028% (0.76   6.36  42.01) =  99.993%  kept
          QD1   ILE   89 - HN    ALA   84   6.31 +/- 0.30   3.387% *  0.1988% (0.49   0.02  13.96) =   0.007%
          QD2   LEU   31 - HN    ALA   84  14.74 +/- 0.50   0.020% *  0.4075% (1.00   0.02   0.02) =   0.000%
          QG2   VAL   43 - HN    ALA   84  11.97 +/- 0.37   0.070% *  0.0909% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 4.1, residual support = 20.7:
          HB2   SER   82 - HN    VAL   83   3.37 +/- 0.28  99.638% * 97.0137% (0.75   4.10  20.67) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   8.90 +/- 0.35   0.333% *  0.2677% (0.43   0.02   0.02) =   0.001%
          HA    SER   48 - HN    VAL   83  14.75 +/- 1.11   0.018% *  0.3786% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   83  19.55 +/- 0.55   0.003% *  0.4635% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  18.63 +/- 0.98   0.004% *  0.1613% (0.26   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  22.89 +/- 0.33   0.001% *  0.4687% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  22.54 +/- 0.81   0.001% *  0.2488% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  25.42 +/- 0.58   0.001% *  0.4241% (0.68   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  27.47 +/- 0.56   0.000% *  0.2868% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  30.35 +/- 0.99   0.000% *  0.2868% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 4.73, residual support = 87.4:
      O   HA    VAL   83 - HN    VAL   83   2.87 +/- 0.01  99.997% * 97.7191% (0.46   4.73  87.42) = 100.000%  kept
          HB2   CYS   53 - HN    VAL   83  18.68 +/- 0.51   0.001% *  0.6569% (0.73   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.69 +/- 1.12   0.001% *  0.3581% (0.40   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    VAL   83  21.47 +/- 0.37   0.001% *  0.4129% (0.46   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  25.06 +/- 0.40   0.000% *  0.4676% (0.52   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  27.89 +/- 1.21   0.000% *  0.3854% (0.43   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 4.81, residual support = 87.4:
      O   HB    VAL   83 - HN    VAL   83   2.38 +/- 0.28  99.994% * 97.6199% (0.75   4.81  87.42) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  16.34 +/- 0.78   0.001% *  0.1685% (0.31   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  14.37 +/- 2.96   0.003% *  0.0718% (0.13   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  17.75 +/- 0.51   0.001% *  0.2157% (0.40   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  19.03 +/- 0.38   0.001% *  0.0718% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  27.45 +/- 0.64   0.000% *  0.3956% (0.73   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  25.33 +/- 1.46   0.000% *  0.2977% (0.55   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  27.79 +/- 1.04   0.000% *  0.4063% (0.75   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  30.24 +/- 1.06   0.000% *  0.3878% (0.71   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  25.80 +/- 1.57   0.000% *  0.1022% (0.19   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  25.35 +/- 1.48   0.000% *  0.0632% (0.12   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  35.16 +/- 0.82   0.000% *  0.1995% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 1 structures by 0.01 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.188, support = 0.02, residual support = 0.02:
          HB2   LEU   80 - HN    VAL   83   2.78 +/- 0.47  99.988% *  2.8578% (0.19   0.02   0.02) =  99.971%  kept
          HB3   LEU   73 - HN    VAL   83  16.74 +/- 0.71   0.004% *  9.9416% (0.65   0.02   0.02) =   0.012%
          HB3   LYS+  74 - HN    VAL   83  17.06 +/- 0.35   0.003% *  4.7118% (0.31   0.02   0.02) =   0.005%
          QB    LEU   98 - HN    VAL   83  19.71 +/- 1.12   0.001% *  7.8727% (0.52   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    VAL   83  22.36 +/- 0.60   0.001% * 10.5799% (0.70   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    VAL   83  18.18 +/- 0.47   0.002% *  1.7684% (0.12   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    VAL   83  23.82 +/- 1.74   0.000% *  7.4142% (0.49   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    VAL   83  24.95 +/- 1.00   0.000% * 11.0607% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    VAL   83  27.35 +/- 1.10   0.000% *  8.7588% (0.58   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   83  28.28 +/- 1.88   0.000% *  9.5730% (0.63   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    VAL   83  29.20 +/- 1.01   0.000% * 10.5799% (0.70   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   83  28.92 +/- 2.87   0.000% * 10.5799% (0.70   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   83  30.11 +/- 1.60   0.000% *  4.3014% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 1 structures by 0.01 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 5.37, residual support = 87.4:
          QG1   VAL   83 - HN    VAL   83   2.33 +/- 0.15  98.345% * 99.2397% (0.75   5.37  87.42) =  99.997%  kept
          QD2   LEU   80 - HN    VAL   83   4.78 +/- 0.43   1.551% *  0.1532% (0.31   0.02   0.02) =   0.002%
          QG2   ILE   89 - HN    VAL   83   7.36 +/- 0.29   0.103% *  0.2261% (0.46   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   83  23.95 +/- 1.08   0.000% *  0.2411% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  23.22 +/- 0.80   0.000% *  0.1399% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.31, residual support = 87.4:
          QG2   VAL   83 - HN    VAL   83   3.60 +/- 0.40  98.948% * 99.3999% (0.74   5.31  87.42) =  99.996%  kept
          QD1   ILE   89 - HN    VAL   83   7.87 +/- 0.35   1.025% *  0.3685% (0.73   0.02   0.02) =   0.004%
          QD2   LEU   31 - HN    VAL   83  14.47 +/- 0.54   0.027% *  0.2316% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 4.31, residual support = 34.8:
      O   HB2   SER   82 - HN    SER   82   2.73 +/- 0.59  99.877% * 96.8589% (0.87   4.31  34.85) = 100.000%  kept
          HA    ALA   88 - HN    SER   82   9.53 +/- 0.43   0.104% *  0.1441% (0.28   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  13.74 +/- 1.40   0.014% *  0.2523% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  20.00 +/- 0.47   0.001% *  0.4904% (0.95   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  22.94 +/- 0.39   0.001% *  0.4785% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.56 +/- 1.12   0.002% *  0.0702% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  26.09 +/- 0.46   0.000% *  0.5172% (1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  28.18 +/- 0.51   0.000% *  0.4649% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  23.57 +/- 0.72   0.000% *  0.1293% (0.25   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  31.22 +/- 0.85   0.000% *  0.4649% (0.90   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  30.12 +/- 0.77   0.000% *  0.1293% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 3.7, residual support = 34.8:
      O   HB3   SER   82 - HN    SER   82   2.52 +/- 0.36  99.976% * 96.1633% (0.69   3.70  34.85) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  10.68 +/- 0.09   0.023% *  0.7576% (1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.56 +/- 1.25   0.001% *  0.1499% (0.20   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  29.51 +/- 2.64   0.000% *  0.7167% (0.95   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  28.49 +/- 1.16   0.000% *  0.7312% (0.97   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  28.99 +/- 0.61   0.000% *  0.7576% (1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  28.00 +/- 0.95   0.000% *  0.6067% (0.80   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  21.87 +/- 0.26   0.000% *  0.1169% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.11, residual support = 19.8:
          QB    LYS+  81 - HN    SER   82   3.14 +/- 0.05  99.948% * 96.7394% (0.97   5.11  19.77) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  12.65 +/- 0.60   0.025% *  0.3621% (0.92   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  14.44 +/- 3.10   0.021% *  0.1472% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  20.67 +/- 1.38   0.001% *  0.3845% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  19.83 +/- 0.32   0.002% *  0.2064% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  21.90 +/- 0.50   0.001% *  0.3403% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  22.85 +/- 0.75   0.001% *  0.3403% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  22.33 +/- 1.01   0.001% *  0.2848% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  25.78 +/- 1.43   0.000% *  0.2694% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  26.35 +/- 0.85   0.000% *  0.2998% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  31.24 +/- 1.14   0.000% *  0.2848% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  28.41 +/- 0.71   0.000% *  0.0873% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  34.08 +/- 0.51   0.000% *  0.2538% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (1.58, 8.64, 114.33 ppm):
    3 chemical-shift based assignments, quality = 0.249, support = 5.11, residual support = 19.8:
          QG    LYS+  81 - HN    SER   82   4.57 +/- 0.10  99.990% * 98.7672% (0.25   5.11  19.77) = 100.000%  kept
          HG3   ARG+  54 - HN    SER   82  23.23 +/- 1.11   0.006% *  0.7544% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    SER   82  25.33 +/- 1.61   0.004% *  0.4784% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.895, support = 3.95, residual support = 16.7:
          QG1   VAL   83 - HN    SER   82   4.36 +/- 0.20  50.631% * 78.8392% (0.95   4.53  20.67) =  80.380%  kept
          QD2   LEU   80 - HN    SER   82   4.42 +/- 0.44  48.133% * 20.2396% (0.69   1.60   0.32) =  19.617%  kept
          QG2   ILE   89 - HN    SER   82   8.29 +/- 0.46   1.192% *  0.1256% (0.34   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    SER   82  14.48 +/- 0.29   0.038% *  0.1136% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  23.85 +/- 0.71   0.002% *  0.2382% (0.65   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  25.13 +/- 0.96   0.001% *  0.3302% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  21.73 +/- 0.63   0.003% *  0.1136% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.38, residual support = 108.3:
      O   QB    LYS+  81 - HN    LYS+  81   2.09 +/- 0.10  99.993% * 96.8969% (0.97   5.38 108.32) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  11.75 +/- 0.84   0.003% *  0.3446% (0.92   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  13.49 +/- 2.95   0.003% *  0.1401% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  20.20 +/- 1.27   0.000% *  0.3659% (0.98   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.10 +/- 1.19   0.000% *  0.2711% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  18.74 +/- 0.38   0.000% *  0.1964% (0.53   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  21.14 +/- 1.05   0.000% *  0.3238% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  21.08 +/- 0.49   0.000% *  0.3238% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  25.35 +/- 0.82   0.000% *  0.2853% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  25.47 +/- 1.26   0.000% *  0.2564% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  30.61 +/- 1.24   0.000% *  0.2711% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  26.36 +/- 1.06   0.000% *  0.0831% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  32.36 +/- 0.81   0.000% *  0.2415% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 5.61, residual support = 108.3:
          QG    LYS+  81 - HN    LYS+  81   3.00 +/- 0.27  99.988% * 98.9168% (0.97   5.61 108.32) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.55 +/- 0.95   0.010% *  0.1247% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  23.72 +/- 0.80   0.000% *  0.3457% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  24.86 +/- 1.47   0.000% *  0.3373% (0.92   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  23.76 +/- 1.10   0.001% *  0.1128% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  27.82 +/- 0.92   0.000% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  30.22 +/- 1.04   0.000% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.406, support = 5.58, residual support = 37.7:
          QD2   LEU   80 - HN    LYS+  81   3.89 +/- 0.12  32.426% * 79.6949% (0.53   6.00  37.73) =  67.623%  kept
          QD1   LEU   80 - HN    LYS+  81   3.44 +/- 0.07  67.543% * 18.3185% (0.15   4.70  37.73) =  32.377%  kept
          QD1   LEU   73 - HN    LYS+  81  13.54 +/- 0.31   0.018% *  0.4527% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LYS+  81  20.41 +/- 0.84   0.002% *  0.4527% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LYS+  81  16.88 +/- 0.63   0.005% *  0.1403% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  22.54 +/- 0.74   0.001% *  0.4216% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  17.49 +/- 0.97   0.004% *  0.0779% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  22.51 +/- 0.91   0.001% *  0.2858% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  24.39 +/- 0.94   0.001% *  0.1558% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.544, support = 2.78, residual support = 9.07:
          HB2   ASP-  76 - HN    GLU-  79   2.57 +/- 0.50  75.870% * 32.6384% (0.51   2.15   5.64) =  60.651%  kept
          HB2   ASP-  78 - HN    GLU-  79   3.32 +/- 0.32  24.119% * 66.6081% (0.60   3.75  14.35) =  39.348%  kept
          HB2   ASN   28 - HN    GLU-  79  14.30 +/- 0.28   0.003% *  0.1492% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  79  12.46 +/- 0.49   0.007% *  0.0491% (0.08   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  19.91 +/- 1.22   0.001% *  0.1909% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  20.14 +/- 1.19   0.000% *  0.1009% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  27.29 +/- 0.35   0.000% *  0.2635% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.0941, support = 3.93, residual support = 53.6:
      O   HB2   GLU-  79 - HN    GLU-  79   2.27 +/- 0.06  99.997% * 92.0568% (0.09   3.93  53.62) = 100.000%  kept
          HG3   GLU-  25 - HN    GLU-  79  14.47 +/- 0.39   0.002% *  1.9658% (0.39   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  79  15.26 +/- 0.71   0.001% *  1.3623% (0.27   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  20.66 +/- 0.66   0.000% *  2.4332% (0.49   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  21.03 +/- 0.37   0.000% *  1.0365% (0.21   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.51 +/- 0.44   0.000% *  0.6765% (0.14   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  27.34 +/- 0.56   0.000% *  0.4689% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.79, residual support = 53.6:
      O   HB3   GLU-  79 - HN    GLU-  79   2.82 +/- 0.10  99.950% * 98.1621% (0.59   3.79  53.62) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  10.51 +/- 1.02   0.045% *  0.4107% (0.47   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  15.78 +/- 0.26   0.003% *  0.3043% (0.35   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  17.91 +/- 0.33   0.002% *  0.4961% (0.56   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.62 +/- 0.35   0.000% *  0.5327% (0.60   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  27.70 +/- 1.14   0.000% *  0.0941% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.96, residual support = 35.3:
      O   HB3   ASP-  78 - HN    ASP-  78   2.46 +/- 0.48  99.484% * 97.1589% (0.49   3.96  35.31) =  99.995%  kept
          QB    CYS   50 - HN    ASP-  78   6.90 +/- 0.41   0.429% *  0.9741% (0.97   0.02   0.02) =   0.004%
          QE    LYS+  74 - HN    ASP-  78   9.02 +/- 1.51   0.085% *  0.9893% (0.98   0.02   0.02) =   0.001%
          HB2   PHE   72 - HN    ASP-  78  15.87 +/- 0.79   0.003% *  0.2247% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.54 +/- 0.45   0.000% *  0.6529% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.948, support = 4.77, residual support = 28.6:
      O   HB2   ASP-  78 - HN    ASP-  78   2.80 +/- 0.35  77.774% * 49.6428% (0.98   4.59  35.31) =  77.696%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.73 +/- 0.56  22.212% * 49.8985% (0.84   5.41   5.07) =  22.304%  kept
          HB2   ASP-  86 - HN    ASP-  78  12.76 +/- 0.50   0.010% *  0.0299% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  16.08 +/- 0.26   0.002% *  0.0908% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  21.07 +/- 1.28   0.000% *  0.1162% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  19.90 +/- 1.16   0.001% *  0.0614% (0.28   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.69 +/- 0.35   0.000% *  0.1604% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 4.75, residual support = 28.5:
      O   HA    THR   77 - HN    ASP-  78   3.52 +/- 0.03  99.810% * 99.6717% (0.92   4.75  28.45) = 100.000%  kept
          HD2   PRO   93 - HN    ASP-  78  10.89 +/- 0.30   0.116% *  0.1135% (0.25   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ASP-  78  11.83 +/- 0.22   0.069% *  0.1135% (0.25   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  18.43 +/- 0.40   0.005% *  0.1013% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.03, residual support = 5.07:
          HA    ASP-  76 - HN    ASP-  78   3.67 +/- 0.14  99.999% * 99.7144% (0.95   3.03   5.07) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.79 +/- 0.32   0.001% *  0.2856% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 4.01, residual support = 37.6:
      O   HA    THR   77 - HN    THR   77   2.76 +/- 0.01  99.897% * 99.4271% (0.98   4.01  37.57) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77   9.16 +/- 0.28   0.077% *  0.2864% (0.57   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  10.97 +/- 0.29   0.026% *  0.2864% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.965, support = 4.16, residual support = 14.2:
          HB2   ASP-  76 - HN    THR   77   4.34 +/- 0.28  77.106% * 64.3211% (1.00   4.34  11.89) =  86.050%  kept
          HB2   ASP-  78 - HN    THR   77   5.43 +/- 0.42  22.836% * 35.2070% (0.76   3.10  28.45) =  13.950%  kept
          HB2   ASN   28 - HN    THR   77  15.43 +/- 0.36   0.040% *  0.0521% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  19.74 +/- 1.33   0.010% *  0.0741% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.39 +/- 0.39   0.002% *  0.2869% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.55 +/- 0.63   0.005% *  0.0588% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.04 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 = 3.64, residual support = 11.9:
          HB3   ASP-  76 - HN    THR   77   3.90 +/- 0.36  96.947% * 95.2549% (0.57   3.64  11.89) =  99.984%  kept
          HG3   MET   92 - HN    THR   77   9.02 +/- 1.45   0.993% *  0.9250% (1.00   0.02   0.02) =   0.010%
          QG    GLN   90 - HN    THR   77   8.64 +/- 0.59   1.017% *  0.3155% (0.34   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    THR   77   8.62 +/- 0.69   0.940% *  0.1831% (0.20   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    THR   77  13.87 +/- 0.64   0.059% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR   77  17.26 +/- 0.32   0.015% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  18.48 +/- 0.57   0.010% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  18.91 +/- 0.31   0.008% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  21.66 +/- 1.50   0.004% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  20.14 +/- 1.05   0.006% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  25.93 +/- 1.14   0.001% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.01, residual support = 37.6:
          QG2   THR   77 - HN    THR   77   2.06 +/- 0.19  99.941% * 96.0787% (0.61   4.01  37.57) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   7.91 +/- 0.40   0.038% *  0.3248% (0.41   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   77  11.51 +/- 0.56   0.004% *  0.7474% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    THR   77   9.20 +/- 0.64   0.016% *  0.1759% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  16.55 +/- 0.65   0.000% *  0.5111% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  16.54 +/- 0.48   0.000% *  0.4473% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  16.02 +/- 0.31   0.001% *  0.2439% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  23.60 +/- 0.51   0.000% *  0.7086% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  26.38 +/- 0.92   0.000% *  0.7625% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.61, residual support = 3.84:
          QB    ALA   47 - HN    THR   77   3.88 +/- 0.24  99.726% * 98.6326% (0.90   2.61   3.84) =  99.998%  kept
          QG1   VAL   42 - HN    THR   77  11.26 +/- 0.38   0.182% *  0.6741% (0.80   0.02   0.02) =   0.001%
          QB    ALA   64 - HN    THR   77  13.00 +/- 0.25   0.076% *  0.3159% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    THR   77  16.88 +/- 0.79   0.016% *  0.3774% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.14, residual support = 83.2:
      O   HA    VAL   75 - HN    VAL   75   2.94 +/- 0.00  99.962% * 99.3910% (0.97   5.14  83.21) = 100.000%  kept
          HD3   PRO   58 - HN    VAL   75  13.72 +/- 0.35   0.010% *  0.3929% (0.98   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    VAL   75  11.63 +/- 0.41   0.027% *  0.1367% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  18.57 +/- 0.30   0.002% *  0.0793% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.867, support = 0.749, residual support = 0.747:
          HB2   ASP-  44 - HN    VAL   75   4.60 +/- 0.44  96.171% * 87.0932% (0.87   0.75   0.75) =  99.912%  kept
          HB3   PHE   72 - HN    VAL   75   8.39 +/- 0.60   3.192% *  2.0462% (0.76   0.02   0.02) =   0.078%
          QG    GLN   90 - HN    VAL   75  13.77 +/- 0.63   0.159% *  1.8392% (0.69   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    VAL   75  15.08 +/- 1.10   0.089% *  2.5328% (0.95   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    VAL   75  17.05 +/- 1.48   0.056% *  2.2364% (0.84   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    VAL   75  12.86 +/- 0.79   0.254% *  0.4689% (0.18   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  16.12 +/- 0.65   0.060% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  24.31 +/- 2.48   0.007% *  2.4012% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  20.76 +/- 0.32   0.013% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 6 structures by 0.11 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.236, support = 4.16, residual support = 25.1:
          HB3   LYS+  74 - HN    VAL   75   4.42 +/- 0.16  91.074% * 45.4389% (0.20   4.38  26.97) =  93.132%  kept
          HG    LEU   73 - HN    VAL   75   7.05 +/- 0.56   6.469% * 46.8807% (0.76   1.17   0.24) =   6.825%  kept
          HG    LEU   80 - HN    VAL   75  10.97 +/- 1.08   0.551% *  0.9086% (0.87   0.02   0.02) =   0.011%
          QB    ALA   61 - HN    VAL   75  10.69 +/- 0.36   0.473% *  1.0267% (0.98   0.02   0.02) =   0.011%
          HG12  ILE   19 - HN    VAL   75  10.68 +/- 0.16   0.467% *  0.8005% (0.76   0.02   0.02) =   0.008%
          QB    ALA  110 - HN    VAL   75  11.27 +/- 0.23   0.338% *  0.8749% (0.84   0.02   0.02) =   0.007%
          HB2   LEU   80 - HN    VAL   75  11.41 +/- 0.49   0.326% *  0.3573% (0.34   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    VAL   75  15.14 +/- 0.46   0.059% *  1.0451% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  16.38 +/- 0.66   0.036% *  0.9669% (0.92   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    VAL   75  14.98 +/- 1.33   0.076% *  0.2912% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   75  14.64 +/- 0.40   0.071% *  0.2912% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  16.05 +/- 0.62   0.041% *  0.2073% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  21.48 +/- 0.65   0.007% *  0.6776% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  19.52 +/- 0.81   0.013% *  0.2332% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 5.65, residual support = 27.0:
          HG2   LYS+  74 - HN    VAL   75   3.54 +/- 0.28  98.677% * 95.1997% (0.45   5.65  26.97) =  99.992%  kept
          QG2   ILE   56 - HN    VAL   75   8.97 +/- 0.38   0.432% *  0.6516% (0.87   0.02   0.02) =   0.003%
          QB    ALA   91 - HN    VAL   75   9.89 +/- 0.46   0.245% *  0.7249% (0.97   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    VAL   75   9.58 +/- 0.37   0.284% *  0.2562% (0.34   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  10.70 +/- 0.11   0.140% *  0.5160% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   75  11.07 +/- 0.19   0.116% *  0.5160% (0.69   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    VAL   75  13.53 +/- 0.77   0.037% *  0.7249% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  12.75 +/- 1.05   0.060% *  0.3088% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  21.07 +/- 1.43   0.003% *  0.7363% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  18.74 +/- 0.66   0.005% *  0.3656% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 0.946, support = 4.37, residual support = 83.2:
      O   HB    VAL   75 - HN    VAL   75   2.63 +/- 0.46  96.478% * 98.6480% (0.95   4.37  83.21) =  99.991%  kept
          HG3   LYS+  74 - HN    VAL   75   4.94 +/- 0.08   3.459% *  0.2323% (0.49   0.02  26.97) =   0.008%
          QD2   LEU   40 - HN    VAL   75  11.37 +/- 0.46   0.028% *  0.3647% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    VAL   75  12.13 +/- 0.20   0.017% *  0.3465% (0.73   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  13.25 +/- 0.46   0.011% *  0.2895% (0.61   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  14.27 +/- 0.61   0.007% *  0.1190% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 1 structures by 0.01 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.673, support = 0.532, residual support = 1.47:
          QG2   THR   46 - HN    VAL   75   4.30 +/- 0.33  75.229% * 21.2986% (0.69   0.37   1.93) =  74.370%  kept
          QD2   LEU   73 - HN    VAL   75   6.63 +/- 0.14   5.839% * 54.3083% (0.41   1.58   0.24) =  14.719%  kept
          QG1   VAL   43 - HN    VAL   75   5.91 +/- 0.23  11.839% * 19.1529% (0.97   0.24   0.02) =  10.525%  kept
          QG2   VAL   18 - HN    VAL   75   7.01 +/- 0.91   4.967% *  1.3422% (0.80   0.02   0.02) =   0.309%
          QG1   VAL   41 - HN    VAL   75  10.76 +/- 0.33   0.323% *  1.6724% (1.00   0.02   0.02) =   0.025%
          QD1   ILE   19 - HN    VAL   75   9.02 +/- 0.30   0.941% *  0.5718% (0.34   0.02   0.02) =   0.025%
          HG    LEU   31 - HN    VAL   75  10.15 +/- 0.38   0.461% *  0.9490% (0.57   0.02   0.02) =   0.020%
          QD1   ILE   56 - HN    VAL   75  10.61 +/- 0.36   0.364% *  0.3317% (0.20   0.02   0.02) =   0.006%
          QD2   LEU  104 - HN    VAL   75  15.55 +/- 0.64   0.035% *  0.3732% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.14, residual support = 83.2:
          QG1   VAL   75 - HN    VAL   75   3.25 +/- 0.70  99.967% * 99.6788% (0.92   5.14  83.21) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  13.16 +/- 0.80   0.033% *  0.3212% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.69 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 = 4.95, residual support = 83.2:
          QG2   VAL   75 - HN    VAL   75   3.15 +/- 0.16  99.707% * 99.5125% (0.49   4.95  83.21) =  99.999%  kept
          QG2   VAL   42 - HN    VAL   75   9.29 +/- 0.82   0.233% *  0.2817% (0.34   0.02   0.02) =   0.001%
          QD1   ILE   89 - HN    VAL   75  11.32 +/- 1.13   0.060% *  0.2059% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.707, support = 4.32, residual support = 176.2:
      O   HB3   LYS+  74 - HN    LYS+  74   2.69 +/- 0.20  81.706% * 97.1334% (0.71   4.32 176.28) =  99.983%  kept
          HB3   LEU   73 - HN    LYS+  74   3.66 +/- 0.50  17.707% *  0.0695% (0.11   0.02  45.79) =   0.016%
          HG12  ILE   19 - HN    LYS+  74   6.55 +/- 0.12   0.403% *  0.2732% (0.43   0.02   5.27) =   0.001%
          HB    VAL   42 - HN    LYS+  74   8.21 +/- 0.31   0.108% *  0.0891% (0.14   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.05 +/- 0.32   0.011% *  0.3907% (0.61   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74  10.32 +/- 0.41   0.027% *  0.1390% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  74  14.16 +/- 0.38   0.004% *  0.4347% (0.68   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74  13.25 +/- 0.81   0.006% *  0.2192% (0.34   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  16.52 +/- 2.41   0.004% *  0.2732% (0.43   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  13.94 +/- 0.23   0.004% *  0.2370% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.77 +/- 0.62   0.008% *  0.1123% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  13.16 +/- 0.41   0.006% *  0.0891% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  13.35 +/- 0.99   0.006% *  0.0891% (0.14   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  20.06 +/- 0.88   0.000% *  0.4504% (0.71   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 6.06, residual support = 45.8:
          QD2   LEU   73 - HN    LYS+  74   3.76 +/- 0.29  99.337% * 97.3882% (0.20   6.06  45.79) =  99.998%  kept
          HG    LEU   31 - HN    LYS+  74   9.00 +/- 0.43   0.562% *  0.2025% (0.12   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  74  12.32 +/- 0.30   0.088% *  0.6084% (0.37   0.02   0.02) =   0.001%
          QD2   LEU  123 - HN    LYS+  74  18.25 +/- 0.61   0.008% *  0.6547% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  20.41 +/- 0.61   0.004% *  1.1462% (0.70   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 3 structures by 0.03 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 5.93, residual support = 45.8:
          HB2   LEU   73 - HN    LYS+  74   3.86 +/- 0.60  99.626% * 98.0352% (0.64   5.93  45.79) =  99.999%  kept
          QG1   ILE   56 - HN    LYS+  74  11.53 +/- 0.24   0.191% *  0.2087% (0.40   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  15.56 +/- 0.49   0.032% *  0.3679% (0.71   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  15.23 +/- 0.88   0.035% *  0.2818% (0.54   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  16.91 +/- 0.42   0.018% *  0.3654% (0.70   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  14.64 +/- 0.79   0.052% *  0.1258% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  15.55 +/- 0.77   0.032% *  0.1653% (0.32   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  22.25 +/- 0.36   0.004% *  0.2385% (0.46   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.70 +/- 0.61   0.008% *  0.0730% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  22.45 +/- 0.54   0.003% *  0.1384% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.462, support = 0.0175, residual support = 0.0175:
          HB    VAL   41 - HN    LYS+  74  10.07 +/- 0.85  28.386% * 15.4986% (0.71   0.02   0.02) =  47.264%  kept
          HB2   LEU   71 - HN    LYS+  74   8.89 +/- 0.43  56.184% *  5.8297% (0.27   0.02   0.02) =  35.187%  kept
          QB    LYS+  66 - HN    LYS+  74  14.42 +/- 0.35   3.134% * 14.9905% (0.68   0.02   0.02) =   5.048%  kept
          QB    LYS+  65 - HN    LYS+  74  13.01 +/- 0.39   5.820% *  6.3858% (0.29   0.02   0.02) =   3.992%
          HG12  ILE  103 - HN    LYS+  74  15.40 +/- 0.74   2.106% * 14.6936% (0.67   0.02   0.02) =   3.324%
          HG2   PRO   93 - HN    LYS+  74  15.17 +/- 0.79   2.445% * 11.8708% (0.54   0.02   0.02) =   3.118%
          HB3   PRO   52 - HN    LYS+  74  18.10 +/- 0.63   0.811% * 11.2793% (0.51   0.02   0.02) =   0.983%
          QB    LYS+ 102 - HN    LYS+  74  18.12 +/- 0.40   0.799% *  8.1723% (0.37   0.02   0.02) =   0.701%
          HG    LEU  123 - HN    LYS+  74  21.14 +/- 0.60   0.316% * 11.2793% (0.51   0.02   0.02) =   0.383%
    Distance limit 4.89 A violated in 20 structures by 3.35 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.77, support = 4.86, residual support = 24.9:
          HB3   PHE   72 - HN    LEU   73   3.89 +/- 0.55  86.601% * 68.7611% (0.76   5.05  26.08) =  93.931%  kept
          HB2   ASP-  44 - HN    LEU   73   5.51 +/- 0.56  12.908% * 29.7942% (0.87   1.93   6.99) =   6.067%  kept
          QG    GLU-  15 - HN    LEU   73  10.61 +/- 1.22   0.305% *  0.3369% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    LEU   73  13.77 +/- 1.47   0.089% *  0.2975% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  14.28 +/- 0.55   0.044% *  0.1215% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  20.99 +/- 2.21   0.007% *  0.3194% (0.90   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  18.94 +/- 0.66   0.008% *  0.2447% (0.69   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  16.25 +/- 0.68   0.021% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  17.12 +/- 0.82   0.016% *  0.0624% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 6.52, residual support = 161.3:
      O   HB2   LEU   73 - HN    LEU   73   2.79 +/- 0.56  99.805% * 98.1177% (0.99   6.52 161.29) = 100.000%  kept
          QD    LYS+  99 - HN    LEU   73  11.66 +/- 0.52   0.035% *  0.2633% (0.87   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  10.54 +/- 0.29   0.058% *  0.0757% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LEU   73  13.86 +/- 0.38   0.012% *  0.2722% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  11.19 +/- 0.78   0.046% *  0.0532% (0.18   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  15.18 +/- 0.75   0.008% *  0.3009% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  14.87 +/- 0.71   0.007% *  0.2085% (0.69   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.25 +/- 1.37   0.021% *  0.0532% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  16.19 +/- 0.56   0.005% *  0.1478% (0.49   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  18.99 +/- 0.49   0.002% *  0.2204% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  20.29 +/- 0.57   0.001% *  0.2872% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.423, support = 6.1, residual support = 137.0:
      O   HB3   LEU   73 - HN    LEU   73   3.04 +/- 0.57  77.606% * 57.6604% (0.41   6.52 161.29) =  84.686%  kept
          HB    VAL   42 - HN    LEU   73   4.01 +/- 0.32  20.553% * 39.3426% (0.49   3.76   2.37) =  15.303%  kept
          HB3   LYS+  74 - HN    LEU   73   6.48 +/- 0.25   1.116% *  0.3731% (0.87   0.02  45.79) =   0.008%
          QB    LEU   98 - HN    LEU   73   8.63 +/- 0.30   0.193% *  0.4291% (1.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    LEU   73   7.50 +/- 0.44   0.429% *  0.1196% (0.28   0.02   4.00) =   0.001%
          HG3   LYS+  33 - HN    LEU   73  11.73 +/- 0.89   0.031% *  0.2435% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  12.40 +/- 0.69   0.023% *  0.2093% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  16.80 +/- 2.23   0.006% *  0.3970% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  15.99 +/- 1.00   0.005% *  0.3592% (0.84   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  13.47 +/- 0.24   0.013% *  0.0958% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  16.51 +/- 0.61   0.004% *  0.2954% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  14.06 +/- 0.33   0.010% *  0.0958% (0.22   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  15.52 +/- 0.98   0.006% *  0.0851% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.42 +/- 0.78   0.003% *  0.1614% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  20.18 +/- 0.45   0.001% *  0.1327% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.947, support = 7.65, residual support = 152.9:
          QD2   LEU   73 - HN    LEU   73   2.90 +/- 0.16  78.602% * 79.1529% (0.98   7.79 161.29) =  94.509%  kept
          QG1   VAL   43 - HN    LEU   73   3.77 +/- 0.30  17.825% * 20.2644% (0.38   5.21   9.21) =   5.487%  kept
          QG2   VAL   18 - HN    LEU   73   5.55 +/- 0.85   2.691% *  0.0410% (0.20   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    LEU   73   6.52 +/- 0.30   0.638% *  0.1173% (0.57   0.02   0.23) =   0.001%
          HG    LEU   31 - HN    LEU   73   8.08 +/- 0.69   0.212% *  0.2068% (1.00   0.02   5.09) =   0.001%
          QD1   ILE   56 - HN    LEU   73  10.95 +/- 0.27   0.029% *  0.1659% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  16.29 +/- 0.62   0.003% *  0.0517% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.574, support = 5.49, residual support = 131.0:
          QD1   LEU   73 - HN    LEU   73   4.37 +/- 0.14  40.109% * 84.4459% (0.57   6.52 161.29) =  81.176%  kept
          QG2   VAL   41 - HN    LEU   73   4.14 +/- 0.45  55.059% * 14.2459% (0.61   1.03   0.23) =  18.799%  kept
          QD2   LEU   98 - HN    LEU   73   6.94 +/- 1.09   3.294% *  0.1880% (0.41   0.02   0.02) =   0.015%
          QD1   LEU   63 - HN    LEU   73   8.23 +/- 0.40   0.948% *  0.2589% (0.57   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    LEU   73   9.52 +/- 0.51   0.410% *  0.4574% (1.00   0.02   0.02) =   0.004%
          QD1   LEU   80 - HN    LEU   73  14.47 +/- 1.52   0.050% *  0.1880% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   73  12.66 +/- 0.81   0.075% *  0.1018% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   73  13.08 +/- 0.46   0.057% *  0.1140% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.489, support = 1.59, residual support = 2.05:
          QG1   VAL   42 - HN    LEU   73   3.97 +/- 0.50  91.545% * 34.6974% (0.45   1.56   2.37) =  85.466%  kept
          QB    ALA   64 - HN    LEU   73   6.08 +/- 0.26   8.365% * 64.5668% (0.73   1.79   0.17) =  14.532%  kept
          QB    ALA   47 - HN    LEU   73  13.21 +/- 0.20   0.078% *  0.5620% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    LEU   73  18.23 +/- 0.71   0.012% *  0.1738% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.246, support = 1.94, residual support = 9.1:
          QG2   VAL   43 - HN    LEU   73   4.38 +/- 0.17  76.295% * 91.8386% (0.25   1.96   9.21) =  98.748%  kept
          QD2   LEU   31 - HN    LEU   73   5.35 +/- 0.25  23.613% *  3.7533% (1.00   0.02   5.09) =   1.249%
          QG2   VAL   83 - HN    LEU   73  15.23 +/- 0.62   0.045% *  2.7254% (0.73   0.02   0.02) =   0.002%
          QD1   ILE   89 - HN    LEU   73  15.31 +/- 1.03   0.047% *  1.6827% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.552, support = 4.22, residual support = 78.6:
      O   HB2   PHE   72 - HN    PHE   72   2.95 +/- 0.63  94.783% * 45.6227% (0.53   4.32  81.14) =  94.002%  kept
          HA    ALA   64 - HN    PHE   72   5.27 +/- 0.28   5.087% * 54.2358% (0.97   2.80  39.27) =   5.998%  kept
          HB3   ASN   69 - HN    PHE   72   9.83 +/- 0.35   0.115% *  0.0620% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  13.94 +/- 0.70   0.015% *  0.0795% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 5.11, residual support = 81.1:
      O   HB3   PHE   72 - HN    PHE   72   2.69 +/- 0.63  98.234% * 97.5422% (0.76   5.11  81.14) =  99.991%  kept
          QG    GLU-  15 - HN    PHE   72   6.90 +/- 1.19   1.465% *  0.4722% (0.95   0.02   0.02) =   0.007%
          HB2   ASP-  44 - HN    PHE   72   8.40 +/- 0.59   0.236% *  0.4330% (0.87   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    PHE   72  10.49 +/- 1.22   0.049% *  0.4169% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  14.84 +/- 0.61   0.007% *  0.1703% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  17.67 +/- 1.90   0.002% *  0.4477% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.35 +/- 1.08   0.006% *  0.0874% (0.18   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  22.39 +/- 0.71   0.001% *  0.3429% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  21.02 +/- 0.74   0.001% *  0.0874% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.987, support = 3.27, residual support = 17.5:
          HG    LEU   71 - HN    PHE   72   4.84 +/- 0.61  39.896% * 91.8283% (0.99   3.51  18.87) =  92.589%  kept
          HG13  ILE   19 - HN    PHE   72   4.70 +/- 0.51  50.661% *  5.7231% (0.95   0.23   0.02) =   7.328%  kept
          QG2   THR   39 - HN    PHE   72   6.43 +/- 1.02   8.316% *  0.3413% (0.65   0.02   0.02) =   0.072%
          HG2   LYS+  74 - HN    PHE   72   9.81 +/- 0.86   0.602% *  0.5263% (1.00   0.02   0.02) =   0.008%
          HG3   LYS+  99 - HN    PHE   72  12.70 +/- 0.96   0.128% *  0.5275% (1.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    PHE   72  14.76 +/- 1.85   0.279% *  0.1980% (0.38   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    PHE   72  13.02 +/- 0.58   0.094% *  0.1174% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  17.27 +/- 0.43   0.017% *  0.3413% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  21.67 +/- 0.48   0.004% *  0.1799% (0.34   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  23.95 +/- 0.91   0.002% *  0.2169% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 18.9:
          QD2   LEU   71 - HN    PHE   72   3.16 +/- 0.17  97.662% * 98.6391% (0.97   5.24  18.87) =  99.997%  kept
          QD1   LEU   67 - HN    PHE   72   6.62 +/- 0.15   1.222% *  0.1205% (0.31   0.02  35.16) =   0.002%
          QD2   LEU   40 - HN    PHE   72   7.10 +/- 0.57   0.922% *  0.1085% (0.28   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    PHE   72   9.60 +/- 0.52   0.138% *  0.2053% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.28 +/- 0.75   0.019% *  0.3894% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    PHE   72  13.56 +/- 0.46   0.016% *  0.3767% (0.97   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.01 +/- 0.38   0.021% *  0.1605% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (4.02, 9.36, 127.59 ppm):
    8 chemical-shift based assignments, quality = 0.364, support = 1.5, residual support = 11.3:
          HA    VAL   18 - HN    PHE   72   3.40 +/- 0.46  92.591% * 27.0354% (0.31   1.50   7.40) =  88.680%  kept
          HA    VAL   70 - HN    PHE   72   5.77 +/- 0.14   4.596% * 69.1425% (0.80   1.48  41.80) =  11.258%  kept
          HA1   GLY   16 - HN    PHE   72   6.65 +/- 0.72   2.595% *  0.6147% (0.53   0.02   0.02) =   0.057%
          HB2   SER   37 - HN    PHE   72  11.40 +/- 0.75   0.092% *  1.0134% (0.87   0.02   0.02) =   0.003%
          HA    LYS+  33 - HN    PHE   72  11.56 +/- 0.48   0.087% *  0.5687% (0.49   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    PHE   72  13.54 +/- 0.46   0.033% *  0.3985% (0.34   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    PHE   72  18.77 +/- 0.35   0.004% *  0.9355% (0.80   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    PHE   72  25.16 +/- 0.51   0.001% *  0.2913% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.11, residual support = 31.4:
          HB    VAL   70 - HN    LEU   71   4.03 +/- 0.11  94.812% * 98.9061% (0.98   6.11  31.44) =  99.993%  kept
          HB2   LYS+  38 - HN    LEU   71   9.63 +/- 1.44   3.834% *  0.0918% (0.28   0.02   0.02) =   0.004%
          QG    GLN   17 - HN    LEU   71   9.27 +/- 0.81   0.747% *  0.3296% (1.00   0.02   0.02) =   0.003%
          HB2   MET   96 - HN    LEU   71  11.13 +/- 0.28   0.220% *  0.2137% (0.65   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    LEU   71  10.57 +/- 1.01   0.370% *  0.0735% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  18.76 +/- 0.37   0.009% *  0.3274% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  19.31 +/- 0.69   0.008% *  0.0578% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 0.98, support = 5.69, residual support = 126.7:
      O   HB2   LEU   71 - HN    LEU   71   2.65 +/- 0.24  97.393% * 98.3016% (0.98   5.69 126.71) =  99.996%  kept
          HB    VAL   41 - HN    LEU   71   5.37 +/- 0.96   2.507% *  0.1581% (0.45   0.02   2.75) =   0.004%
          QB    LYS+  66 - HN    LEU   71  10.35 +/- 0.19   0.031% *  0.2281% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.29 +/- 0.24   0.018% *  0.3496% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  10.53 +/- 1.01   0.032% *  0.1856% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.65 +/- 0.63   0.009% *  0.3519% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.56 +/- 0.57   0.010% *  0.1089% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  20.49 +/- 0.75   0.001% *  0.3163% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.709, support = 0.0197, residual support = 25.8:
          QG2   THR   39 - HN    LEU   71   2.85 +/- 1.01  84.094% *  9.8331% (0.65   0.02   0.02) =  78.335%  kept
          HG    LEU   71 - HN    LEU   71   4.22 +/- 0.68  14.282% * 15.0657% (0.99   0.02 126.71) =  20.384%  kept
          HG3   LYS+  38 - HN    LEU   71  10.85 +/- 1.68   1.142% *  5.7048% (0.38   0.02   0.02) =   0.617%
          HG13  ILE   19 - HN    LEU   71   7.43 +/- 0.75   0.329% * 14.3788% (0.95   0.02   0.02) =   0.448%
          HG3   LYS+  99 - HN    LEU   71   8.72 +/- 1.05   0.140% * 15.2002% (1.00   0.02   0.02) =   0.202%
          HG2   LYS+  74 - HN    LEU   71  13.56 +/- 0.83   0.009% * 15.1664% (1.00   0.02   0.02) =   0.012%
          QG2   ILE   56 - HN    LEU   71  15.37 +/- 0.51   0.003% *  3.3841% (0.22   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    LEU   71  19.53 +/- 0.36   0.001% *  9.8331% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  22.94 +/- 0.48   0.000% *  5.1849% (0.34   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  25.96 +/- 0.89   0.000% *  6.2490% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.916, support = 5.33, residual support = 73.9:
          QG1   VAL   70 - HN    LEU   71   3.99 +/- 0.21  51.214% * 53.1214% (0.98   5.28  31.44) =  55.434%  kept
          QD1   LEU   71 - HN    LEU   71   4.03 +/- 0.56  47.316% * 46.2207% (0.84   5.39 126.71) =  44.561%  kept
          QG1   VAL   18 - HN    LEU   71   8.23 +/- 1.07   0.971% *  0.2051% (1.00   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    LEU   71   9.44 +/- 0.55   0.307% *  0.1409% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    LEU   71  11.04 +/- 0.46   0.123% *  0.0999% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    LEU   71  12.49 +/- 0.62   0.062% *  0.1714% (0.84   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  17.89 +/- 0.73   0.007% *  0.0406% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 6.14, residual support = 31.4:
          QG2   VAL   70 - HN    LEU   71   2.35 +/- 0.13 100.000% *100.0000% (0.73   6.14  31.44) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.5:
      O   HB    VAL   70 - HN    VAL   70   2.60 +/- 0.13  99.796% * 98.3056% (0.76   4.31  81.48) =  99.999%  kept
          QG    GLN   17 - HN    VAL   70   7.94 +/- 0.82   0.171% *  0.4982% (0.84   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    VAL   70  11.82 +/- 1.35   0.028% *  0.3377% (0.57   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  14.14 +/- 0.24   0.004% *  0.2035% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  22.47 +/- 0.45   0.000% *  0.5506% (0.92   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  18.63 +/- 0.81   0.001% *  0.1045% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.803, support = 0.35, residual support = 0.347:
          HB3   LEU   67 - HN    VAL   70   3.35 +/- 0.45  89.986% * 26.5583% (0.87   0.24   0.35) =  83.175%  kept
          HG    LEU   67 - HN    VAL   70   5.49 +/- 0.58   8.397% * 57.2262% (0.49   0.91   0.35) =  16.723%  kept
          HG    LEU   40 - HN    VAL   70   7.72 +/- 0.67   0.869% *  1.5660% (0.61   0.02  32.80) =   0.047%
          QG    LYS+  66 - HN    VAL   70   8.77 +/- 0.59   0.406% *  2.5307% (0.98   0.02   0.02) =   0.036%
          HG12  ILE   19 - HN    VAL   70   9.80 +/- 0.65   0.186% *  1.0614% (0.41   0.02   0.02) =   0.007%
          HG    LEU   73 - HN    VAL   70  11.67 +/- 0.67   0.062% *  2.5590% (0.99   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    VAL   70  11.06 +/- 0.19   0.078% *  1.8748% (0.73   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    VAL   70  17.80 +/- 0.64   0.004% *  2.4423% (0.95   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   70  16.87 +/- 0.53   0.006% *  1.5660% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  18.34 +/- 0.29   0.004% *  1.2567% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  24.98 +/- 1.01   0.001% *  1.3584% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.85, residual support = 81.5:
          QG1   VAL   70 - HN    VAL   70   2.50 +/- 0.28  99.284% * 98.2380% (0.92   4.85  81.48) =  99.997%  kept
          QD1   LEU   71 - HN    VAL   70   6.59 +/- 0.76   0.515% *  0.4392% (1.00   0.02  31.44) =   0.002%
          QG1   VAL   18 - HN    VAL   70   8.80 +/- 1.15   0.091% *  0.3669% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   8.43 +/- 0.53   0.076% *  0.1498% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    VAL   70  10.34 +/- 0.67   0.025% *  0.4392% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  12.13 +/- 0.42   0.009% *  0.3669% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.89, residual support = 81.5:
          QG2   VAL   70 - HN    VAL   70   3.82 +/- 0.06 100.000% *100.0000% (0.98   3.89  81.48) = 100.000%  kept
    Distance limit 4.28 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 = 2.99, residual support = 59.8:
      O   HB2   ASN   69 - HD22  ASN   69   3.62 +/- 0.17  98.892% * 98.4373% (0.55   2.99  59.76) =  99.998%  kept
          QE    LYS+  66 - HD22  ASN   69   9.61 +/- 1.77   1.023% *  0.1496% (0.12   0.02   0.02) =   0.002%
          QE    LYS+  33 - HD22  ASN   69  12.74 +/- 1.56   0.082% *  0.1496% (0.12   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  25.05 +/- 0.71   0.001% *  0.6719% (0.56   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  22.41 +/- 1.19   0.002% *  0.1037% (0.09   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  29.03 +/- 0.87   0.000% *  0.4879% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 0.56, support = 3.29, residual support = 26.3:
          QG1   VAL   70 - HD22  ASN   69   3.15 +/- 0.75  98.504% * 97.6033% (0.56   3.29  26.26) =  99.992%  kept
          QD1   LEU   71 - HD22  ASN   69   9.57 +/- 1.19   0.652% *  0.5626% (0.53   0.02   0.02) =   0.004%
          QD1   LEU  123 - HD22  ASN   69   9.13 +/- 1.44   0.413% *  0.5626% (0.53   0.02   0.02) =   0.002%
          HB3   LEU   63 - HD22  ASN   69   9.63 +/- 0.96   0.267% *  0.3129% (0.30   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD22  ASN   69  11.91 +/- 1.15   0.085% *  0.5739% (0.54   0.02   0.02) =   0.001%
          HB3   LEU  104 - HD22  ASN   69  11.18 +/- 1.07   0.079% *  0.3847% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 3.01, residual support = 3.01:
          HA    LEU   67 - HN    ASN   69   3.14 +/- 0.15 100.000% *100.0000% (0.92   3.01   3.01) = 100.000%  kept
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.94, residual support = 26.1:
          HD2   PRO   68 - HN    ASN   69   3.20 +/- 0.63  99.929% * 99.1791% (0.80   5.94  26.15) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  11.83 +/- 0.31   0.063% *  0.3945% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.52 +/- 0.31   0.004% *  0.2698% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.53 +/- 0.27   0.003% *  0.1565% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 5.94, residual support = 26.1:
          HD3   PRO   68 - HN    ASN   69   3.06 +/- 0.66  99.989% * 98.4562% (0.99   5.94  26.15) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  16.66 +/- 0.31   0.007% *  0.2556% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  20.88 +/- 0.29   0.002% *  0.3228% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  22.34 +/- 0.79   0.001% *  0.3228% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  24.67 +/- 0.52   0.001% *  0.3337% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  24.15 +/- 1.26   0.001% *  0.3088% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.96 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 = 0.465, support = 0.0198, residual support = 0.0198:
          HA    ALA   64 - HN    ASN   69   6.71 +/- 0.40  87.065% * 14.1837% (0.31   0.02   0.02) =  70.454%  kept
          QE    LYS+  66 - HN    ASN   69   9.63 +/- 0.89  12.564% * 39.8620% (0.87   0.02   0.02) =  28.574%  kept
          HB3   ASN   35 - HN    ASN   69  16.86 +/- 0.66   0.371% * 45.9543% (1.00   0.02   0.02) =   0.971%
    Distance limit 4.12 A violated in 20 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 26.3:
          HB    VAL   70 - HN    ASN   69   4.26 +/- 0.28  98.080% * 89.1806% (0.15   3.84  26.26) =  99.980%  kept
          QG    GLN   17 - HN    ASN   69   8.64 +/- 0.78   1.589% *  0.5954% (0.20   0.02   0.02) =   0.011%
          HB2   LYS+  38 - HN    ASN   69  12.65 +/- 1.25   0.240% *  2.9822% (0.99   0.02   0.02) =   0.008%
          QB    GLU-  36 - HN    ASN   69  14.66 +/- 0.57   0.066% *  0.5269% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  20.76 +/- 0.75   0.008% *  2.4092% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  19.22 +/- 0.45   0.013% *  1.2369% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  24.70 +/- 0.37   0.003% *  0.8366% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  31.58 +/- 0.68   0.001% *  1.8249% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  24.57 +/- 0.32   0.003% *  0.4072% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.892, support = 6.03, residual support = 26.1:
      O   HB3   PRO   68 - HN    ASN   69   4.40 +/- 0.17  47.633% * 86.3495% (0.99   6.04  26.15) =  88.447%  kept
          HG2   PRO   68 - HN    ASN   69   4.44 +/- 0.45  45.446% * 11.7905% (0.14   6.04  26.15) =  11.522%  kept
          QB    GLU-  15 - HN    ASN   69   6.53 +/- 1.00   6.365% *  0.2096% (0.73   0.02   0.02) =   0.029%
          HB2   GLN   17 - HN    ASN   69  10.78 +/- 0.70   0.252% *  0.2096% (0.73   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ASN   69  13.28 +/- 0.33   0.064% *  0.1634% (0.57   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  15.07 +/- 0.94   0.031% *  0.2504% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  11.56 +/- 0.41   0.152% *  0.0506% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  15.86 +/- 0.42   0.022% *  0.1868% (0.65   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  16.11 +/- 0.47   0.021% *  0.1634% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.29 +/- 0.78   0.002% *  0.2312% (0.80   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  19.53 +/- 1.02   0.007% *  0.0643% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.96 +/- 0.32   0.001% *  0.1519% (0.53   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  24.20 +/- 0.46   0.002% *  0.0985% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  23.83 +/- 0.35   0.002% *  0.0803% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.48, residual support = 26.1:
          HG3   PRO   68 - HN    ASN   69   3.55 +/- 0.40  99.695% * 92.7509% (0.38   5.48  26.15) =  99.998%  kept
          HB3   LYS+  38 - HN    ASN   69  13.15 +/- 1.62   0.123% *  0.8524% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASN   69  11.98 +/- 0.86   0.093% *  0.5466% (0.61   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASN   69  14.31 +/- 0.39   0.029% *  0.7216% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  14.39 +/- 0.50   0.029% *  0.4386% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  17.31 +/- 0.42   0.009% *  0.7216% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  17.12 +/- 0.31   0.010% *  0.4040% (0.45   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  20.28 +/- 0.41   0.004% *  0.8991% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  18.81 +/- 0.41   0.006% *  0.3705% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  23.48 +/- 0.69   0.001% *  0.4040% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  25.70 +/- 0.71   0.001% *  0.5830% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  28.67 +/- 0.74   0.000% *  0.6887% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  31.49 +/- 0.80   0.000% *  0.6190% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 4.46, residual support = 26.3:
          QG1   VAL   70 - HN    ASN   69   3.08 +/- 0.28  99.013% * 97.9093% (0.73   4.46  26.26) =  99.996%  kept
          QD1   LEU   71 - HN    ASN   69   8.29 +/- 0.99   0.606% *  0.2942% (0.49   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    ASN   69   9.25 +/- 0.41   0.157% *  0.5834% (0.97   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  10.25 +/- 1.11   0.095% *  0.5049% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    ASN   69   9.80 +/- 0.76   0.109% *  0.2942% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ASN   69  12.87 +/- 0.50   0.020% *  0.1196% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  20.93 +/- 0.59   0.001% *  0.2942% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.99, residual support = 18.3:
          HD2   PRO   68 - HN    LEU   67   3.75 +/- 0.58  81.795% * 99.0341% (1.00   3.99  18.27) =  99.985%  kept
          HA    ALA   61 - HN    LEU   67   7.35 +/- 0.14   1.741% *  0.4797% (0.97   0.02   0.02) =   0.010%
          HA    VAL   24 - HE3   TRP   27   5.08 +/- 0.08  16.360% *  0.0213% (0.04   0.02  22.15) =   0.004%
          HD3   PRO   58 - HN    LEU   67  13.54 +/- 0.13   0.045% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  14.11 +/- 0.41   0.038% *  0.0603% (0.12   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  20.81 +/- 0.39   0.004% *  0.1695% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  18.26 +/- 0.38   0.008% *  0.0623% (0.13   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  17.74 +/- 0.29   0.009% *  0.0193% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 4.14, residual support = 18.3:
          HD3   PRO   68 - HN    LEU   67   3.87 +/- 0.55  99.681% * 97.2956% (0.76   4.14  18.27) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.84 +/- 0.19   0.156% *  0.2526% (0.41   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   67  16.53 +/- 0.18   0.021% *  0.4220% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  18.12 +/- 0.86   0.014% *  0.5812% (0.95   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  19.33 +/- 1.20   0.010% *  0.6022% (0.98   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  15.09 +/- 0.57   0.037% *  0.0731% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  20.82 +/- 0.46   0.005% *  0.4920% (0.80   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  15.53 +/- 0.27   0.031% *  0.0618% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  18.23 +/- 0.38   0.012% *  0.0590% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  18.02 +/- 0.34   0.012% *  0.0531% (0.09   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  17.34 +/- 0.37   0.016% *  0.0318% (0.05   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  21.33 +/- 0.74   0.005% *  0.0757% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.639, support = 1.4, residual support = 4.67:
          HA    ALA   64 - HN    LEU   67   3.31 +/- 0.14  97.826% * 23.3060% (0.65   1.17   4.28) =  93.433%  kept
          QE    LYS+  66 - HN    LEU   67   6.36 +/- 0.36   2.108% * 76.0227% (0.53   4.68  10.27) =   6.567%  kept
          HB3   ASN   35 - HE3   TRP   27  13.10 +/- 0.63   0.028% *  0.0648% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  12.72 +/- 0.41   0.033% *  0.0502% (0.08   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  19.65 +/- 0.58   0.002% *  0.5155% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  19.43 +/- 0.50   0.003% *  0.0408% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.606, support = 5.11, residual support = 61.5:
      O   HB2   LEU   67 - HN    LEU   67   2.76 +/- 0.37  96.413% * 96.9204% (0.61   5.11  61.51) =  99.987%  kept
          HG2   PRO   68 - HN    LEU   67   5.25 +/- 0.19   2.745% *  0.4048% (0.65   0.02  18.27) =   0.012%
          HB    VAL   18 - HN    LEU   67   8.48 +/- 0.85   0.184% *  0.2134% (0.34   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   6.88 +/- 0.20   0.521% *  0.0445% (0.07   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  11.41 +/- 0.44   0.027% *  0.3543% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.38 +/- 0.17   0.006% *  0.6039% (0.97   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  15.12 +/- 0.49   0.005% *  0.5919% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LEU   67  16.40 +/- 0.92   0.003% *  0.3046% (0.49   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  10.88 +/- 0.64   0.036% *  0.0268% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.38 +/- 0.15   0.045% *  0.0156% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  14.20 +/- 0.46   0.007% *  0.0477% (0.08   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  18.53 +/- 0.40   0.001% *  0.0744% (0.12   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  19.69 +/- 0.23   0.001% *  0.0965% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  20.15 +/- 0.35   0.001% *  0.0759% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.20 +/- 1.11   0.002% *  0.0383% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  19.48 +/- 0.35   0.001% *  0.0509% (0.08   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  25.28 +/- 0.37   0.000% *  0.1238% (0.20   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  20.14 +/- 0.40   0.001% *  0.0121% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.945, support = 4.43, residual support = 10.3:
          QB    LYS+  66 - HN    LEU   67   3.25 +/- 0.12  86.275% * 96.9413% (0.95   4.43  10.27) =  99.945%  kept
          QB    LYS+  65 - HN    LEU   67   4.50 +/- 0.11  12.696% *  0.3534% (0.76   0.02   0.02) =   0.054%
          HB2   LEU   71 - HN    LEU   67  10.63 +/- 0.20   0.072% *  0.3358% (0.73   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   67   9.97 +/- 0.96   0.127% *  0.1736% (0.38   0.02   0.02) =   0.000%
          HB    VAL   41 - HE3   TRP   27   8.42 +/- 0.92   0.356% *  0.0466% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67   9.43 +/- 0.58   0.161% *  0.1030% (0.22   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  12.76 +/- 0.44   0.024% *  0.3703% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27   8.91 +/- 0.37   0.208% *  0.0422% (0.09   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  16.96 +/- 0.60   0.004% *  0.4012% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  17.29 +/- 0.71   0.004% *  0.2992% (0.65   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  19.01 +/- 0.89   0.002% *  0.4584% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  12.81 +/- 0.99   0.026% *  0.0376% (0.08   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  15.89 +/- 0.64   0.007% *  0.0576% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  16.03 +/- 0.82   0.006% *  0.0504% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  16.42 +/- 0.45   0.005% *  0.0550% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  15.91 +/- 0.38   0.006% *  0.0444% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  20.93 +/- 0.47   0.001% *  0.1736% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  14.01 +/- 0.75   0.014% *  0.0129% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  19.59 +/- 0.74   0.002% *  0.0218% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  22.88 +/- 0.68   0.001% *  0.0218% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.856, support = 5.52, residual support = 58.6:
          HG    LEU   67 - HN    LEU   67   3.60 +/- 0.81  35.019% * 62.6030% (1.00   5.68  61.51) =  79.835%  kept
      O   HB3   LEU   67 - HN    LEU   67   3.52 +/- 0.46  29.759% * 13.3348% (0.25   4.84  61.51) =  14.451%  kept
          QG    LYS+  66 - HN    LEU   67   4.39 +/- 0.28   6.889% * 22.6994% (0.41   5.00  10.27) =   5.695%  kept
          HG    LEU   73 - HE3   TRP   27   3.50 +/- 0.45  27.841% *  0.0169% (0.08   0.02  36.46) =   0.017%
          HG    LEU   40 - HN    LEU   67   9.78 +/- 0.69   0.056% *  0.2191% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67   8.87 +/- 0.86   0.115% *  0.0991% (0.45   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   67   7.65 +/- 0.10   0.240% *  0.0341% (0.15   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  11.62 +/- 0.64   0.020% *  0.1518% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  13.40 +/- 0.50   0.008% *  0.2191% (0.99   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  13.87 +/- 0.50   0.007% *  0.1341% (0.61   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  14.82 +/- 0.78   0.005% *  0.1518% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  13.30 +/- 1.53   0.010% *  0.0275% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.47 +/- 0.75   0.001% *  0.1605% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  13.33 +/- 0.67   0.008% *  0.0125% (0.06   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  15.99 +/- 0.60   0.003% *  0.0277% (0.13   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  17.51 +/- 0.40   0.002% *  0.0275% (0.12   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  13.26 +/- 0.36   0.009% *  0.0043% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  14.61 +/- 0.44   0.005% *  0.0069% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  18.68 +/- 0.97   0.001% *  0.0202% (0.09   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  17.51 +/- 0.59   0.002% *  0.0114% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  20.03 +/- 0.85   0.001% *  0.0191% (0.09   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.28 +/- 0.50   0.001% *  0.0191% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.309, support = 4.26, residual support = 61.5:
          QD1   LEU   67 - HN    LEU   67   3.93 +/- 0.29  94.068% * 93.3216% (0.31   4.26  61.51) =  99.958%  kept
          QD2   LEU   71 - HN    LEU   67   8.27 +/- 0.37   1.174% *  1.3705% (0.97   0.02   0.02) =   0.018%
          QG2   ILE  119 - HN    LEU   67   8.69 +/- 0.44   0.911% *  1.3705% (0.97   0.02   0.02) =   0.014%
          QD2   LEU   40 - HN    LEU   67   8.55 +/- 0.37   0.955% *  0.3948% (0.28   0.02   0.02) =   0.004%
          QD2   LEU   71 - HE3   TRP   27   8.75 +/- 0.32   0.848% *  0.1723% (0.12   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HE3   TRP   27   8.42 +/- 0.42   1.065% *  0.0939% (0.07   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    LEU   67  15.79 +/- 0.95   0.028% *  1.4169% (1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HE3   TRP   27  11.32 +/- 0.82   0.198% *  0.1781% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   67  14.06 +/- 0.69   0.047% *  0.7471% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.20 +/- 0.39   0.045% *  0.5838% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27   9.94 +/- 0.71   0.424% *  0.0496% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.47 +/- 0.68   0.102% *  0.0734% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  12.07 +/- 0.43   0.123% *  0.0551% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  17.75 +/- 0.57   0.012% *  0.1723% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.05, residual support = 26.5:
      O   HA    LYS+  65 - HN    LYS+  66   3.56 +/- 0.03  99.078% * 96.5398% (0.61   6.05  26.46) =  99.996%  kept
          HA2   GLY   16 - HN    LYS+  66   8.27 +/- 0.47   0.691% *  0.3615% (0.69   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    LYS+  66  10.72 +/- 0.84   0.151% *  0.5079% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  66  12.75 +/- 0.44   0.049% *  0.4720% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  14.76 +/- 0.36   0.020% *  0.2980% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  18.17 +/- 0.24   0.006% *  0.4979% (0.95   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  20.18 +/- 0.79   0.003% *  0.5217% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.68 +/- 0.23   0.002% *  0.4396% (0.84   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  29.23 +/- 0.44   0.000% *  0.3615% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 1.6, residual support = 6.12:
          HA    LEU   63 - HN    LYS+  66   3.28 +/- 0.16  99.998% * 98.5905% (0.99   1.60   6.12) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  22.57 +/- 0.56   0.001% *  0.8529% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  21.88 +/- 0.36   0.001% *  0.5567% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.864, support = 4.13, residual support = 18.9:
          HA    ALA   64 - HN    LYS+  66   4.31 +/- 0.21  70.074% * 76.0883% (0.95   3.98   7.04) =  88.656%  kept
          QE    LYS+  66 - HN    LYS+  66   5.03 +/- 0.27  28.872% * 23.6252% (0.22   5.25 111.86) =  11.342%  kept
          HB2   PHE   72 - HN    LYS+  66   8.76 +/- 0.39   1.050% *  0.0899% (0.22   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  66  21.78 +/- 0.62   0.004% *  0.1966% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.14 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 = 0.745, support = 5.28, residual support = 87.5:
      O   QB    LYS+  66 - HN    LYS+  66   2.24 +/- 0.10  82.061% * 35.0803% (0.65   5.01 111.86) =  71.502%  kept
          QB    LYS+  65 - HN    LYS+  66   2.91 +/- 0.13  17.922% * 64.0193% (0.99   5.97  26.46) =  28.498%  kept
          HB3   GLN   17 - HN    LYS+  66  10.04 +/- 0.78   0.012% *  0.1139% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.62 +/- 0.24   0.003% *  0.2123% (0.98   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  14.57 +/- 0.40   0.001% *  0.0971% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  18.11 +/- 0.89   0.000% *  0.1942% (0.90   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  18.39 +/- 0.62   0.000% *  0.2161% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  18.55 +/- 0.68   0.000% *  0.0668% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 0.39, support = 4.13, residual support = 78.3:
          QG    LYS+  66 - HN    LYS+  66   2.95 +/- 0.57  88.808% * 19.4636% (0.15   4.56 111.86) =  66.978%  kept
          HG    LEU   67 - HN    LYS+  66   5.05 +/- 1.14  10.965% * 77.7109% (0.87   3.24  10.27) =  33.018%  kept
          QB    ALA  120 - HN    LYS+  66  10.88 +/- 0.65   0.061% *  0.5336% (0.97   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  66  10.93 +/- 0.81   0.056% *  0.4427% (0.80   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  11.55 +/- 0.74   0.041% *  0.4225% (0.76   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  12.33 +/- 0.47   0.025% *  0.4225% (0.76   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  66  13.42 +/- 0.74   0.015% *  0.5336% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  12.66 +/- 0.38   0.021% *  0.1094% (0.20   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  66  15.19 +/- 0.44   0.007% *  0.1537% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  22.18 +/- 0.85   0.001% *  0.2075% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 2 structures by 0.02 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.1, residual support = 7.04:
          QB    ALA   64 - HN    LYS+  66   4.41 +/- 0.08 100.000% *100.0000% (0.95   3.10   7.04) = 100.000%  kept
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.06, residual support = 160.5:
      O   HA    LYS+  65 - HN    LYS+  65   2.84 +/- 0.03  99.708% * 97.7955% (0.64   6.06 160.53) =  99.999%  kept
          HA2   GLY   16 - HN    LYS+  65   7.83 +/- 0.62   0.262% *  0.3375% (0.67   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  65  12.55 +/- 0.75   0.014% *  0.3308% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  14.54 +/- 0.38   0.006% *  0.1980% (0.39   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  17.19 +/- 0.22   0.002% *  0.2262% (0.45   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  18.16 +/- 0.84   0.002% *  0.2673% (0.53   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  15.63 +/- 0.25   0.004% *  0.0872% (0.17   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.87 +/- 0.29   0.001% *  0.1702% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  19.38 +/- 0.28   0.001% *  0.1193% (0.24   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  21.04 +/- 0.43   0.001% *  0.0692% (0.14   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  27.56 +/- 0.43   0.000% *  0.3375% (0.67   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  29.90 +/- 0.36   0.000% *  0.0612% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.654, support = 4.73, residual support = 27.8:
      O   HA    ALA   64 - HN    LYS+  65   3.60 +/- 0.02  96.031% * 99.5849% (0.65   4.73  27.83) =  99.996%  kept
          QE    LYS+  66 - HN    LYS+  65   6.81 +/- 0.55   2.395% *  0.0992% (0.15   0.02  26.46) =   0.002%
          HB2   PHE   72 - HN    LYS+  65   7.27 +/- 0.46   1.572% *  0.0992% (0.15   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  65  21.54 +/- 0.65   0.002% *  0.2168% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.528, support = 6.61, residual support = 160.5:
      O   QB    LYS+  65 - HN    LYS+  65   2.20 +/- 0.06  98.318% * 97.6988% (0.53   6.61 160.53) =  99.994%  kept
          QB    LYS+  66 - HN    LYS+  65   4.37 +/- 0.18   1.627% *  0.3658% (0.65   0.02  26.46) =   0.006%
          HB3   GLN   17 - HN    LYS+  65   8.36 +/- 0.84   0.040% *  0.0861% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  10.80 +/- 0.77   0.008% *  0.1451% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  12.04 +/- 0.33   0.004% *  0.2808% (0.50   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  14.24 +/- 0.52   0.001% *  0.3096% (0.55   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  16.96 +/- 0.95   0.001% *  0.3832% (0.68   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.09 +/- 0.53   0.000% *  0.3354% (0.60   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  18.67 +/- 0.73   0.000% *  0.2501% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  18.32 +/- 0.42   0.000% *  0.1451% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.137, support = 5.43, residual support = 160.5:
          HG2   LYS+  65 - HN    LYS+  65   2.99 +/- 0.37  97.937% * 91.2815% (0.14   5.43 160.53) =  99.979%  kept
          HG    LEU   67 - HN    LYS+  65   6.64 +/- 1.12   1.850% *  0.8944% (0.36   0.02   0.02) =   0.019%
          HB3   LEU   40 - HN    LYS+  65  11.61 +/- 0.84   0.037% *  1.6963% (0.69   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  65  10.55 +/- 0.40   0.062% *  0.8275% (0.34   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LYS+  65  12.30 +/- 0.57   0.027% *  1.6082% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  65  13.51 +/- 0.76   0.016% *  1.6082% (0.65   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.25 +/- 0.93   0.032% *  0.6989% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.32 +/- 0.39   0.027% *  0.6989% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  15.96 +/- 0.47   0.005% *  0.4239% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  15.26 +/- 1.15   0.008% *  0.2623% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.208, support = 4.92, residual support = 143.1:
          HG3   LYS+  65 - HN    LYS+  65   3.40 +/- 0.31  89.915% * 43.4466% (0.17   5.26 160.53) =  89.053%  kept
          HB2   LEU   63 - HN    LYS+  65   5.03 +/- 0.14   9.414% * 50.9894% (0.50   2.12   1.22) =  10.942%  kept
          HB3   ASP-  44 - HN    LYS+  65   9.76 +/- 0.55   0.184% *  0.5532% (0.58   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LYS+  65   8.57 +/- 0.25   0.387% *  0.1651% (0.17   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+  65  13.89 +/- 0.61   0.021% *  0.6265% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  65  15.07 +/- 0.55   0.014% *  0.6565% (0.68   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  16.32 +/- 1.07   0.009% *  0.6565% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  13.36 +/- 0.52   0.028% *  0.2044% (0.21   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  17.88 +/- 0.59   0.005% *  0.2723% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  18.54 +/- 0.37   0.004% *  0.3485% (0.36   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  21.32 +/- 0.24   0.002% *  0.6608% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  16.64 +/- 0.49   0.007% *  0.1160% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  19.51 +/- 0.58   0.003% *  0.2969% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  19.90 +/- 0.35   0.002% *  0.2486% (0.26   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  18.23 +/- 1.20   0.004% *  0.1311% (0.14   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  23.95 +/- 0.43   0.001% *  0.4017% (0.42   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.15 +/- 0.72   0.001% *  0.2259% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.73, residual support = 27.8:
          QB    ALA   64 - HN    LYS+  65   2.60 +/- 0.14 100.000% *100.0000% (0.65   4.73  27.83) = 100.000%  kept
    Distance limit 3.62 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 = 0.946, support = 0.75, residual support = 6.76:
          HA    ALA   61 - HN    ALA   64   3.67 +/- 0.11  98.750% * 95.1123% (0.95   0.75   6.76) =  99.973%  kept
          HD2   PRO   68 - HN    ALA   64   8.22 +/- 0.63   0.888% *  2.1470% (0.80   0.02   0.02) =   0.020%
          HD3   PRO   58 - HN    ALA   64   9.51 +/- 0.17   0.335% *  1.7345% (0.65   0.02   0.02) =   0.006%
          HA    VAL   75 - HN    ALA   64  14.49 +/- 0.33   0.027% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.946, support = 4.22, residual support = 20.8:
      O   HA    ALA   64 - HN    ALA   64   2.80 +/- 0.03  98.496% * 99.5356% (0.95   4.22  20.79) =  99.998%  kept
          HB2   PHE   72 - HN    ALA   64   5.84 +/- 0.26   1.257% *  0.1109% (0.22   0.02  39.27) =   0.001%
          QE    LYS+  66 - HN    ALA   64   7.67 +/- 0.39   0.246% *  0.1109% (0.22   0.02   7.04) =   0.000%
          HB3   ASN   35 - HN    ALA   64  20.30 +/- 0.60   0.001% *  0.2425% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.857, support = 4.58, residual support = 25.5:
          QB    LYS+  65 - HN    ALA   64   4.48 +/- 0.10  60.625% * 81.9016% (0.92   4.83  27.83) =  88.622%  kept
          QB    LYS+  66 - HN    ALA   64   4.85 +/- 0.12  38.143% * 16.7044% (0.34   2.67   7.04) =  11.372%  kept
          HB3   GLN   17 - HN    ALA   64   9.48 +/- 0.56   0.726% *  0.3069% (0.84   0.02   1.22) =   0.004%
          HB2   LEU   71 - HN    ALA   64  11.13 +/- 0.26   0.261% *  0.3476% (0.95   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    ALA   64  14.78 +/- 0.95   0.052% *  0.2229% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  12.62 +/- 0.33   0.123% *  0.0727% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  17.47 +/- 0.49   0.017% *  0.3069% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  14.78 +/- 0.67   0.049% *  0.0727% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  23.22 +/- 1.14   0.003% *  0.0643% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 0.726, support = 7.21, residual support = 54.9:
          HB2   LEU   63 - HN    ALA   64   2.73 +/- 0.09  97.803% * 96.8019% (0.73   7.21  54.88) =  99.997%  kept
          HG3   LYS+  65 - HN    ALA   64   5.70 +/- 0.46   1.326% *  0.0922% (0.25   0.02  27.83) =   0.001%
          HB3   ASP-  44 - HN    ALA   64   7.50 +/- 0.64   0.264% *  0.3088% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   6.53 +/- 0.23   0.553% *  0.0922% (0.25   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   64  12.81 +/- 0.61   0.010% *  0.3664% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.65 +/- 0.61   0.007% *  0.3497% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   64  14.20 +/- 1.08   0.006% *  0.3664% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.58 +/- 0.52   0.018% *  0.1141% (0.31   0.02   0.17) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  16.16 +/- 0.38   0.002% *  0.1945% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  16.25 +/- 0.58   0.002% *  0.1520% (0.41   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  19.60 +/- 0.21   0.001% *  0.3689% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  17.99 +/- 0.50   0.001% *  0.1658% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  15.44 +/- 0.46   0.003% *  0.0647% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  17.59 +/- 0.45   0.001% *  0.1388% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  17.67 +/- 1.18   0.001% *  0.0732% (0.20   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  21.99 +/- 0.52   0.000% *  0.2242% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.33 +/- 0.73   0.000% *  0.1261% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.526, support = 6.89, residual support = 54.9:
          HG    LEU   63 - HN    ALA   64   4.61 +/- 0.49  92.852% * 98.6111% (0.53   6.89  54.88) =  99.991%  kept
          QD1   ILE  119 - HN    ALA   64   7.40 +/- 0.63   6.698% *  0.1077% (0.20   0.02   0.02) =   0.008%
          HB2   LEU  104 - HN    ALA   64  12.73 +/- 0.27   0.235% *  0.2441% (0.45   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    ALA   64  14.97 +/- 0.97   0.094% *  0.5025% (0.92   0.02   0.02) =   0.001%
          QG2   VAL  108 - HN    ALA   64  15.27 +/- 0.61   0.080% *  0.3302% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  16.98 +/- 0.30   0.042% *  0.2043% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 2 structures by 0.02 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.84, residual support = 54.9:
          HB3   LEU   63 - HN    ALA   64   3.43 +/- 0.24  87.383% * 99.3434% (0.97   6.85  54.88) =  99.979%  kept
          QG1   VAL   18 - HN    ALA   64   5.76 +/- 1.22   9.415% *  0.1582% (0.53   0.02   8.41) =   0.017%
          QG1   VAL   70 - HN    ALA   64   6.95 +/- 0.75   2.195% *  0.1236% (0.41   0.02   0.02) =   0.003%
          QD1   LEU  123 - HN    ALA   64   7.73 +/- 0.50   0.822% *  0.0670% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ALA   64  10.15 +/- 0.90   0.175% *  0.0670% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  15.74 +/- 0.37   0.010% *  0.2408% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.802, support = 6.21, residual support = 54.9:
          QD2   LEU   63 - HN    ALA   64   4.66 +/- 0.24  42.341% * 60.7052% (1.00   5.87  54.88) =  54.305%  kept
          QD1   LEU   63 - HN    ALA   64   4.45 +/- 0.25  55.761% * 38.7844% (0.57   6.62  54.88) =  45.692%  kept
          QD2   LEU  115 - HN    ALA   64   8.53 +/- 0.45   1.171% *  0.0516% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ALA   64  10.32 +/- 0.27   0.369% *  0.1255% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  11.48 +/- 0.23   0.196% *  0.1171% (0.57   0.02   0.17) =   0.000%
          QD2   LEU   98 - HN    ALA   64  12.37 +/- 1.00   0.142% *  0.0851% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  20.30 +/- 1.89   0.008% *  0.0851% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  18.66 +/- 1.05   0.012% *  0.0461% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.8:
      O   QB    ALA   64 - HN    ALA   64   2.10 +/- 0.06 100.000% *100.0000% (0.95   4.22  20.79) = 100.000%  kept
    Distance limit 3.25 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 = 5.25, residual support = 42.5:
      O   HA    ASP-  62 - HN    LEU   63   3.60 +/- 0.02  99.946% * 99.3634% (0.97   5.25  42.51) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.75 +/- 0.33   0.052% *  0.1613% (0.41   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  21.56 +/- 0.54   0.002% *  0.3141% (0.80   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  29.62 +/- 0.57   0.000% *  0.1613% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.687, support = 1.5, residual support = 10.4:
          HA    PHE   60 - HN    LEU   63   3.03 +/- 0.11  99.850% * 92.4872% (0.69   1.50  10.44) =  99.998%  kept
          HA    ALA  120 - HN    LEU   63   9.98 +/- 0.68   0.089% *  0.6124% (0.34   0.02   0.02) =   0.001%
          QB    SER  117 - HN    LEU   63  12.36 +/- 0.26   0.022% *  1.7794% (0.99   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LEU   63  12.06 +/- 0.33   0.026% *  1.3720% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU   63  14.63 +/- 0.15   0.008% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.98 +/- 0.18   0.002% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  17.65 +/- 0.76   0.003% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 243.5:
      O   HA    LEU   63 - HN    LEU   63   2.81 +/- 0.02  99.999% * 99.6052% (0.76   7.54 243.47) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.78 +/- 0.37   0.000% *  0.2769% (0.80   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  21.18 +/- 0.59   0.001% *  0.1179% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 5.25, residual support = 42.5:
          HB2   ASP-  62 - HN    LEU   63   3.16 +/- 0.38  99.982% * 99.7495% (0.98   5.25  42.51) = 100.000%  kept
          QB    ASP- 113 - HN    LEU   63  14.60 +/- 0.35   0.013% *  0.0767% (0.20   0.02   0.02) =   0.000%
          HB2   PRO   52 - HN    LEU   63  16.78 +/- 0.49   0.005% *  0.1738% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 42.5:
          HB3   ASP-  62 - HN    LEU   63   3.05 +/- 0.42  99.987% * 98.9533% (0.95   5.25  42.51) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  14.44 +/- 0.40   0.012% *  0.3679% (0.92   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  23.98 +/- 1.81   0.001% *  0.2894% (0.73   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  24.28 +/- 1.05   0.001% *  0.1638% (0.41   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  30.66 +/- 0.60   0.000% *  0.2256% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.99, residual support = 243.5:
      O   HB2   LEU   63 - HN    LEU   63   2.20 +/- 0.08  99.782% * 97.1042% (0.73   7.99 243.47) = 100.000%  kept
          HG3   LYS+  65 - HN    LEU   63   6.86 +/- 0.51   0.130% *  0.0835% (0.25   0.02   1.22) =   0.000%
          HB3   ASP-  44 - HN    LEU   63   8.43 +/- 0.71   0.036% *  0.2796% (0.84   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   63   8.25 +/- 0.25   0.038% *  0.0835% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  12.15 +/- 0.41   0.004% *  0.3318% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.33 +/- 0.48   0.003% *  0.3167% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  15.33 +/- 1.11   0.001% *  0.3318% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  14.10 +/- 0.56   0.002% *  0.1376% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.55 +/- 0.55   0.002% *  0.1033% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.95 +/- 0.34   0.001% *  0.1761% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.15 +/- 0.33   0.001% *  0.1256% (0.38   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  20.15 +/- 0.25   0.000% *  0.3340% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  16.73 +/- 0.47   0.001% *  0.0586% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.11 +/- 0.52   0.000% *  0.1501% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  23.21 +/- 0.63   0.000% *  0.2030% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.05 +/- 0.87   0.000% *  0.1142% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  20.15 +/- 1.19   0.000% *  0.0662% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 7.58, residual support = 243.5:
          HG    LEU   63 - HN    LEU   63   2.90 +/- 0.51  99.815% * 99.5052% (1.00   7.58 243.47) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   9.20 +/- 0.40   0.163% *  0.0461% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  12.90 +/- 0.93   0.020% *  0.1910% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  18.41 +/- 0.34   0.002% *  0.2578% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 4 structures by 0.08 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.61, residual support = 243.5:
      O   HB3   LEU   63 - HN    LEU   63   3.46 +/- 0.09  94.914% * 99.4088% (0.97   7.61 243.47) =  99.995%  kept
          QG1   VAL   18 - HN    LEU   63   7.54 +/- 1.08   1.492% *  0.1425% (0.53   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    LEU   63   6.30 +/- 0.42   2.845% *  0.0603% (0.22   0.02   0.02) =   0.002%
          QG1   VAL   70 - HN    LEU   63   8.20 +/- 0.64   0.680% *  0.1113% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LEU   63  12.24 +/- 0.92   0.056% *  0.0603% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   63  15.19 +/- 0.29   0.013% *  0.2168% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.868, support = 7.02, residual support = 243.5:
          QD1   LEU   63 - HN    LEU   63   3.58 +/- 0.24  53.541% * 48.0875% (0.90   6.56 243.47) =  52.709%  kept
          QD2   LEU   63 - HN    LEU   63   3.61 +/- 0.61  44.903% * 51.4412% (0.84   7.54 243.47) =  47.288%  kept
          QD2   LEU  115 - HN    LEU   63   6.54 +/- 0.43   1.443% *  0.0925% (0.57   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    LEU   63  13.26 +/- 0.26   0.018% *  0.1465% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  11.96 +/- 0.57   0.037% *  0.0504% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  11.84 +/- 0.22   0.036% *  0.0454% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.48 +/- 1.04   0.019% *  0.0252% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  19.87 +/- 1.07   0.002% *  0.0860% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  21.33 +/- 1.96   0.002% *  0.0252% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.35 +/- 0.29  99.997% * 99.6577% (0.84   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  15.69 +/- 0.37   0.001% *  0.2375% (0.39   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.87 +/- 0.23   0.002% *  0.1048% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.84, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.68 +/- 0.32  99.997% * 98.5741% (0.82   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.23 +/- 0.36   0.002% *  0.5011% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  25.77 +/- 1.85   0.000% *  0.3942% (0.63   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  25.25 +/- 1.12   0.000% *  0.2232% (0.35   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  30.94 +/- 0.48   0.000% *  0.3074% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.351, support = 0.0189, residual support = 0.0189:
          QB    LYS+  66 - HN    ASP-  62   5.82 +/- 0.14  91.650% *  5.0993% (0.32   0.02   0.02) =  84.895%  kept
          HG    LEU  123 - HN    ASP-  62   9.90 +/- 0.52   4.011% * 12.8527% (0.82   0.02   0.02) =   9.365%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.12 +/- 0.51   1.178% *  7.6923% (0.49   0.02   0.02) =   1.646%
          HG3   PRO   68 - HN    ASP-  62  12.81 +/- 0.26   0.806% *  8.7895% (0.56   0.02   0.02) =   1.286%
          HB3   PRO   52 - HN    ASP-  62  14.42 +/- 0.36   0.403% * 12.8527% (0.82   0.02   0.02) =   0.940%
          HB3   ASP- 105 - HN    ASP-  62  13.30 +/- 0.37   0.658% *  7.1484% (0.45   0.02   0.02) =   0.855%
          HB    VAL   41 - HN    ASP-  62  16.32 +/- 0.25   0.190% *  7.6923% (0.49   0.02   0.02) =   0.266%
          HG2   PRO   93 - HN    ASP-  62  13.67 +/- 0.89   0.591% *  2.3795% (0.15   0.02   0.02) =   0.255%
          QB    LYS+ 106 - HN    ASP-  62  15.60 +/- 0.31   0.252% *  3.3879% (0.21   0.02   0.02) =   0.155%
          HG12  ILE  103 - HN    ASP-  62  19.12 +/- 0.60   0.075% *  9.8662% (0.63   0.02   0.02) =   0.134%
          QB    LYS+  33 - HN    ASP-  62  18.50 +/- 0.76   0.092% *  5.5858% (0.35   0.02   0.02) =   0.094%
          HB    ILE  103 - HN    ASP-  62  20.41 +/- 0.28   0.050% *  8.2409% (0.52   0.02   0.02) =   0.075%
          HB3   GLN   90 - HN    ASP-  62  23.15 +/- 1.02   0.024% *  4.6346% (0.29   0.02   0.02) =   0.020%
          QB    LYS+  81 - HN    ASP-  62  23.91 +/- 1.12   0.020% *  3.7777% (0.24   0.02   0.02) =   0.014%
    Distance limit 4.61 A violated in 20 structures by 1.16 A, eliminated.
    Peak unassigned.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.796, support = 2.79, residual support = 8.35:
          QB    ALA   61 - HN    ASP-  62   2.68 +/- 0.05  98.514% * 94.7960% (0.80   2.79   8.35) =  99.993%  kept
          QG    LYS+  66 - HN    ASP-  62   5.81 +/- 0.94   1.397% *  0.4468% (0.52   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    ASP-  62   9.87 +/- 0.59   0.045% *  0.5898% (0.69   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  10.87 +/- 0.22   0.022% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.65 +/- 0.43   0.009% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.55 +/- 0.48   0.004% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.65 +/- 0.57   0.004% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  15.64 +/- 0.38   0.003% *  0.3028% (0.35   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.44 +/- 0.35   0.002% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  24.57 +/- 1.18   0.000% *  0.7349% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  24.69 +/- 0.54   0.000% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.24 +/- 0.97   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.861, support = 1.62, residual support = 3.83:
          QB    LYS+  66 - HN    LEU   63   4.37 +/- 0.16  63.674% * 37.1238% (0.95   1.11   6.12) =  53.305%  kept
          QB    LYS+  65 - HN    LEU   63   4.84 +/- 0.12  34.886% * 59.3437% (0.76   2.20   1.22) =  46.685%  kept
          HG    LEU  123 - HN    LEU   63   8.81 +/- 0.54   1.010% *  0.2649% (0.38   0.02   0.02) =   0.006%
          HG2   PRO   93 - HN    LEU   63  13.91 +/- 0.87   0.066% *  0.6995% (0.99   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    LEU   63  13.49 +/- 0.30   0.074% *  0.5124% (0.73   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  14.45 +/- 0.26   0.049% *  0.5651% (0.80   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LEU   63  11.80 +/- 0.70   0.175% *  0.1571% (0.22   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   63  15.37 +/- 0.48   0.034% *  0.2649% (0.38   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  17.09 +/- 0.60   0.018% *  0.4565% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.05 +/- 0.48   0.013% *  0.6121% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 5.07, residual support = 41.2:
      O   HA    PHE   60 - HN    ALA   61   3.61 +/- 0.02  99.828% * 97.6520% (0.69   5.07  41.18) =  99.999%  kept
          QB    SER  117 - HN    ALA   61  14.13 +/- 0.17   0.028% *  0.5561% (0.99   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.56 +/- 0.22   0.036% *  0.3854% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.36 +/- 0.24   0.025% *  0.4687% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  14.45 +/- 0.83   0.026% *  0.3177% (0.57   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.35 +/- 0.58   0.041% *  0.1914% (0.34   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  15.53 +/- 0.25   0.016% *  0.4288% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.946, support = 2.72, residual support = 17.8:
      O   HA    ALA   61 - HN    ALA   61   2.76 +/- 0.03  98.108% * 98.6016% (0.95   2.72  17.77) =  99.990%  kept
          HD3   PRO   58 - HN    ALA   61   5.36 +/- 0.15   1.873% *  0.4963% (0.65   0.02   1.23) =   0.010%
          HD2   PRO   68 - HN    ALA   61  12.42 +/- 0.68   0.013% *  0.6143% (0.80   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  13.83 +/- 0.46   0.006% *  0.2879% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 4.81, residual support = 41.2:
          HB2   PHE   60 - HN    ALA   61   3.07 +/- 0.16  99.830% * 99.4583% (0.84   4.81  41.18) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   8.92 +/- 0.31   0.170% *  0.0979% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  24.20 +/- 0.40   0.000% *  0.4438% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.07, residual support = 41.2:
          HB3   PHE   60 - HN    ALA   61   2.76 +/- 0.10  99.989% * 99.2031% (0.98   5.07  41.18) = 100.000%  kept
          HB2   PHE   97 - HN    ALA   61  13.86 +/- 0.32   0.006% *  0.1642% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   61  17.17 +/- 0.85   0.002% *  0.3465% (0.87   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  16.16 +/- 0.50   0.003% *  0.1499% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  22.31 +/- 0.54   0.000% *  0.1363% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.97, residual support = 17.8:
      O   QB    ALA   61 - HN    ALA   61   2.10 +/- 0.07  99.915% * 95.4244% (0.73   3.97  17.77) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.04 +/- 0.86   0.040% *  0.6492% (0.98   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   8.97 +/- 0.27   0.017% *  0.4017% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61   9.61 +/- 0.25   0.011% *  0.3224% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  10.85 +/- 0.60   0.005% *  0.5745% (0.87   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  10.50 +/- 1.16   0.008% *  0.3224% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  14.12 +/- 0.40   0.001% *  0.6565% (0.99   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  14.51 +/- 1.01   0.001% *  0.4017% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  13.44 +/- 0.52   0.001% *  0.2723% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  24.26 +/- 0.93   0.000% *  0.6265% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  22.13 +/- 1.17   0.000% *  0.3485% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.756, support = 6.05, residual support = 37.6:
          HD3   PRO   58 - HN    PHE   59   2.27 +/- 0.02  99.858% * 99.4957% (0.76   6.05  37.60) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   6.79 +/- 0.08   0.140% *  0.1144% (0.26   0.02   1.33) =   0.000%
          HA    VAL   75 - HN    PHE   59  16.04 +/- 0.49   0.001% *  0.3236% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  15.08 +/- 0.67   0.001% *  0.0664% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 4.37, residual support = 54.4:
      O   HB2   PHE   59 - HN    PHE   59   2.48 +/- 0.16  99.502% * 98.1856% (0.76   4.37  54.36) =  99.998%  kept
          QB    PHE   55 - HN    PHE   59   6.29 +/- 0.15   0.405% *  0.4287% (0.73   0.02   0.02) =   0.002%
          HB3   CYS   53 - HN    PHE   59   9.10 +/- 0.74   0.046% *  0.3113% (0.53   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59   9.66 +/- 0.91   0.035% *  0.2749% (0.47   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  12.02 +/- 0.44   0.009% *  0.3931% (0.67   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  15.19 +/- 0.68   0.002% *  0.4064% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.98, residual support = 54.4:
      O   HB3   PHE   59 - HN    PHE   59   2.24 +/- 0.14  99.980% * 99.8371% (0.67   4.98  54.36) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.50 +/- 0.32   0.019% *  0.0714% (0.12   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  18.15 +/- 0.78   0.000% *  0.0915% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.25, residual support = 37.6:
      O   HB2   PRO   58 - HN    PHE   59   4.25 +/- 0.08  99.377% * 95.4305% (0.19   6.25  37.60) =  99.993%  kept
          HB2   GLN  116 - HN    PHE   59  10.15 +/- 0.36   0.544% *  1.0225% (0.64   0.02   0.02) =   0.006%
          HB3   PHE   97 - HN    PHE   59  14.68 +/- 0.29   0.059% *  0.8409% (0.53   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   59  18.65 +/- 0.62   0.014% *  0.9802% (0.62   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  24.62 +/- 0.69   0.003% *  1.1300% (0.71   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  24.45 +/- 0.59   0.003% *  0.5959% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 6.25, residual support = 37.6:
          HG2   PRO   58 - HN    PHE   59   2.89 +/- 0.17  99.688% * 98.7187% (0.76   6.25  37.60) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   9.18 +/- 0.41   0.109% *  0.1324% (0.32   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   8.52 +/- 0.33   0.168% *  0.0564% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  11.55 +/- 0.31   0.027% *  0.3158% (0.76   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  15.31 +/- 0.29   0.005% *  0.0436% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  17.28 +/- 0.48   0.002% *  0.0896% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  22.72 +/- 1.35   0.000% *  0.3214% (0.77   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  29.95 +/- 2.43   0.000% *  0.3221% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.692, support = 6.25, residual support = 37.6:
      O   HB3   PRO   58 - HN    PHE   59   3.35 +/- 0.15  93.742% * 98.7954% (0.69   6.25  37.60) =  99.994%  kept
          HB    ILE   56 - HN    PHE   59   5.29 +/- 0.09   6.226% *  0.0879% (0.19   0.02  21.93) =   0.006%
          HB2   MET   92 - HN    PHE   59  15.24 +/- 0.74   0.011% *  0.2559% (0.56   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  14.30 +/- 0.25   0.016% *  0.0879% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  20.05 +/- 0.50   0.002% *  0.1995% (0.44   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  22.46 +/- 1.49   0.001% *  0.1854% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  24.93 +/- 1.17   0.001% *  0.1322% (0.29   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  29.90 +/- 2.30   0.000% *  0.2559% (0.56   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 5.34, residual support = 21.9:
          QG1   ILE   56 - HN    PHE   59   4.02 +/- 0.14  99.696% * 98.1804% (0.67   5.34  21.93) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  14.33 +/- 1.31   0.060% *  0.1901% (0.35   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.35 +/- 0.42   0.077% *  0.1446% (0.26   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  16.06 +/- 0.71   0.026% *  0.3395% (0.62   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  15.44 +/- 0.34   0.032% *  0.2572% (0.47   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  13.25 +/- 0.39   0.081% *  0.0654% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  17.86 +/- 0.59   0.014% *  0.3541% (0.64   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  19.05 +/- 0.53   0.009% *  0.3240% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  20.90 +/- 0.48   0.005% *  0.1446% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.331, support = 0.0194, residual support = 0.726:
          HA    ALA   61 - HN    ALA   57   8.36 +/- 0.22  98.444% * 14.7090% (0.34   0.02   0.75) =  97.014%  kept
          HD2   PRO   68 - HN    ALA   57  18.20 +/- 0.70   0.953% * 22.6869% (0.53   0.02   0.02) =   1.449%
          HA    VAL   24 - HN    ALA   57  20.27 +/- 0.41   0.499% * 41.6148% (0.97   0.02   0.02) =   1.392%
          HA    LYS+  38 - HN    ALA   57  26.31 +/- 0.50   0.103% * 20.9893% (0.49   0.02   0.02) =   0.145%
    Distance limit 3.77 A violated in 20 structures by 4.59 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.361, support = 0.0196, residual support = 0.0196:
          HB3   CYS   53 - HN    ALA   57   5.69 +/- 0.74  64.206% * 30.3140% (0.34   0.02   0.02) =  60.974%  kept
          HD2   ARG+  54 - HN    ALA   57   6.49 +/- 0.77  32.529% * 36.5352% (0.41   0.02   0.02) =  37.231%  kept
          HD3   PRO   93 - HN    ALA   57   9.70 +/- 0.51   3.194% * 17.5871% (0.20   0.02   0.02) =   1.760%
          HD3   PRO   68 - HN    ALA   57  18.31 +/- 0.69   0.071% * 15.5637% (0.18   0.02   0.02) =   0.035%
    Distance limit 4.79 A violated in 14 structures by 0.57 A, eliminated.
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.544, support = 4.53, residual support = 24.9:
          HB    ILE   56 - HN    ALA   57   4.50 +/- 0.03  79.032% * 23.6540% (0.25   4.79  25.08) =  54.505%  kept
          HB3   PRO   58 - HN    ALA   57   5.63 +/- 0.05  20.779% * 75.0904% (0.90   4.23  24.76) =  45.493%  kept
          HB2   MET   92 - HN    ALA   57  13.47 +/- 0.70   0.117% *  0.2877% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  15.10 +/- 0.34   0.056% *  0.0988% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  20.61 +/- 0.45   0.009% *  0.2243% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  23.67 +/- 1.76   0.004% *  0.2084% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  27.34 +/- 1.19   0.002% *  0.1487% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  31.22 +/- 2.45   0.001% *  0.2877% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.58, residual support = 23.2:
      O   QB    ALA   57 - HN    ALA   57   2.08 +/- 0.03  99.987% * 97.7423% (0.92   4.58  23.21) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  10.02 +/- 0.54   0.009% *  0.4582% (0.99   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.94 +/- 0.49   0.003% *  0.2250% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  14.95 +/- 0.20   0.001% *  0.4146% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  16.18 +/- 0.26   0.000% *  0.2432% (0.53   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.97 +/- 0.42   0.000% *  0.2991% (0.65   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.82 +/- 1.10   0.000% *  0.2991% (0.65   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  22.48 +/- 0.72   0.000% *  0.1901% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.38 +/- 1.65   0.000% *  0.1285% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.66, residual support = 25.1:
          QG2   ILE   56 - HN    ALA   57   3.20 +/- 0.16  99.816% * 97.1287% (0.87   4.66  25.08) =  99.999%  kept
          QB    ALA   91 - HN    ALA   57  10.69 +/- 1.61   0.106% *  0.4640% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ALA   57  11.22 +/- 0.80   0.063% *  0.2156% (0.45   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  18.33 +/- 0.76   0.003% *  0.4640% (0.97   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  18.21 +/- 0.46   0.003% *  0.3303% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  18.20 +/- 0.29   0.003% *  0.3303% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  18.95 +/- 0.59   0.002% *  0.1640% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  20.27 +/- 0.82   0.002% *  0.1977% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  24.00 +/- 0.74   0.001% *  0.2340% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  28.67 +/- 1.62   0.000% *  0.4713% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 59.8:
      O   HB2   ASN   69 - HD21  ASN   69   2.51 +/- 0.35  99.940% * 98.2918% (0.36   3.63  59.76) = 100.000%  kept
          QE    LYS+  66 - HD21  ASN   69  10.26 +/- 1.58   0.054% *  0.6988% (0.47   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD21  ASN   69  16.44 +/- 2.05   0.005% *  0.4401% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  24.73 +/- 0.89   0.000% *  0.4401% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.79 +/- 0.99   0.000% *  0.1291% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.318, support = 4.15, residual support = 26.3:
          QG1   VAL   70 - HD21  ASN   69   3.30 +/- 0.89  98.310% * 97.4952% (0.32   4.15  26.26) =  99.993%  kept
          QD1   LEU   71 - HD21  ASN   69   8.93 +/- 1.30   0.973% *  0.2833% (0.19   0.02   0.02) =   0.003%
          HB3   LEU   63 - HD21  ASN   69  10.18 +/- 0.85   0.243% *  0.8305% (0.56   0.02   0.02) =   0.002%
          QD1   LEU  123 - HD21  ASN   69  10.03 +/- 1.04   0.329% *  0.2833% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD21  ASN   69  11.59 +/- 1.09   0.143% *  0.5705% (0.39   0.02   0.02) =   0.001%
          QG1   VAL  108 - HD21  ASN   69  21.22 +/- 0.99   0.002% *  0.5373% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 0.36, support = 0.0192, residual support = 0.0192:
          HA    LEU  123 - HD21  ASN   69  11.66 +/- 1.12  20.230% * 14.3693% (0.39   0.02   0.02) =  35.138%  kept
          HA    LYS+  99 - HD21  ASN   69  11.28 +/- 1.86  13.454% * 19.7883% (0.53   0.02   0.02) =  32.182%  kept
          HA    LEU   40 - HD21  ASN   69   8.92 +/- 1.77  59.198% *  2.8311% (0.08   0.02   0.02) =  20.259%  kept
          HA    ASN   35 - HD21  ASN   69  14.07 +/- 2.11   3.925% * 17.4728% (0.47   0.02   0.02) =   8.290%  kept
          HA    PHE   59 - HD21  ASN   69  15.86 +/- 0.83   2.443% *  8.6000% (0.23   0.02   0.02) =   2.540%
          HA    ILE   56 - HD21  ASN   69  19.98 +/- 0.78   0.573% * 16.7505% (0.45   0.02   0.02) =   1.161%
          HA    ASP- 113 - HD21  ASN   69  24.24 +/- 0.83   0.177% * 20.1881% (0.54   0.02   0.02) =   0.431%
    Distance limit 5.16 A violated in 20 structures by 2.92 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.38, residual support = 16.1:
          QB    PHE   55 - HN    ILE   56   2.85 +/- 0.16  94.580% * 97.7419% (0.97   4.38  16.07) =  99.975%  kept
          HB3   CYS   53 - HN    ILE   56   5.09 +/- 0.38   3.526% *  0.4461% (0.97   0.02   0.02) =   0.017%
          HB2   PHE   59 - HN    ILE   56   5.96 +/- 0.20   1.194% *  0.3533% (0.76   0.02  21.93) =   0.005%
          HD2   ARG+  54 - HN    ILE   56   7.19 +/- 0.55   0.472% *  0.4267% (0.92   0.02   0.02) =   0.002%
          HD3   PRO   93 - HN    ILE   56   7.98 +/- 0.59   0.226% *  0.4613% (1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    ILE   56  19.88 +/- 0.66   0.001% *  0.4582% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  17.95 +/- 1.36   0.002% *  0.0200% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  22.55 +/- 0.71   0.000% *  0.0194% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  23.61 +/- 1.11   0.000% *  0.0194% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  27.37 +/- 0.99   0.000% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  30.24 +/- 0.74   0.000% *  0.0185% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  35.04 +/- 0.65   0.000% *  0.0199% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 110.6:
      O   HB    ILE   56 - HN    ILE   56   2.95 +/- 0.13  98.070% * 97.6053% (0.87   5.92 110.61) =  99.997%  kept
          HB3   PRO   58 - HN    ILE   56   7.16 +/- 0.25   0.531% *  0.3042% (0.80   0.02   0.18) =   0.002%
          HG2   ARG+  54 - HN    ILE   56   6.23 +/- 0.43   1.318% *  0.0665% (0.18   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ILE   56  11.92 +/- 0.99   0.026% *  0.3594% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  15.07 +/- 0.27   0.006% *  0.1703% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  15.29 +/- 1.16   0.006% *  0.1296% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  15.64 +/- 0.36   0.005% *  0.0752% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  21.44 +/- 0.40   0.001% *  0.3791% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  19.28 +/- 1.23   0.001% *  0.1562% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  14.53 +/- 2.85   0.012% *  0.0156% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  13.48 +/- 0.19   0.011% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  28.00 +/- 1.13   0.000% *  0.3666% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  22.76 +/- 0.53   0.000% *  0.1056% (0.28   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  21.72 +/- 0.37   0.001% *  0.0586% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  21.88 +/- 0.30   0.001% *  0.0514% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  15.40 +/- 0.85   0.005% *  0.0056% (0.01   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  16.64 +/- 1.55   0.004% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  23.79 +/- 1.39   0.000% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  24.10 +/- 1.10   0.000% *  0.0143% (0.04   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  33.10 +/- 2.39   0.000% *  0.0586% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  20.84 +/- 1.36   0.001% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  30.14 +/- 1.22   0.000% *  0.0159% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  24.72 +/- 1.46   0.000% *  0.0046% (0.01   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  23.89 +/- 1.16   0.000% *  0.0033% (0.01   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  31.27 +/- 0.75   0.000% *  0.0132% (0.03   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  27.80 +/- 0.58   0.000% *  0.0029% (0.01   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  36.82 +/- 0.67   0.000% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  43.91 +/- 2.79   0.000% *  0.0025% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 110.6:
          QG1   ILE   56 - HN    ILE   56   4.02 +/- 0.07  98.930% * 98.1287% (0.87   5.46 110.61) =  99.999%  kept
          HB3   MET   92 - HN    ILE   56  11.14 +/- 1.56   0.378% *  0.1858% (0.45   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ILE   56  12.13 +/- 0.45   0.134% *  0.1414% (0.34   0.02   1.21) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  16.74 +/- 0.68   0.020% *  0.3318% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ILE   56  16.38 +/- 0.28   0.022% *  0.2514% (0.61   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87  10.20 +/- 0.33   0.379% *  0.0061% (0.01   0.02  13.80) =   0.000%
          HB    ILE   89 - HN    ILE   56  17.39 +/- 0.57   0.016% *  0.1414% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  20.95 +/- 0.56   0.005% *  0.3461% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  22.08 +/- 0.55   0.004% *  0.3167% (0.76   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  17.79 +/- 0.36   0.013% *  0.0639% (0.15   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  14.95 +/- 3.16   0.066% *  0.0081% (0.02   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  17.81 +/- 2.18   0.017% *  0.0144% (0.03   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  20.72 +/- 0.84   0.005% *  0.0156% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  20.86 +/- 0.90   0.005% *  0.0109% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  26.33 +/- 0.67   0.001% *  0.0150% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  23.63 +/- 2.43   0.003% *  0.0061% (0.01   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  26.96 +/- 0.81   0.001% *  0.0137% (0.03   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  35.36 +/- 1.26   0.000% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.197, support = 0.755, residual support = 5.9:
          QB    ALA  110 - HN    ILE   56   4.27 +/- 0.28  90.895% * 48.9943% (0.20   0.76   5.94) =  99.329%  kept
          HB3   LEU  115 - HN    ILE   56   8.01 +/- 0.33   2.255% *  6.0130% (0.92   0.02   0.02) =   0.302%
          QB    ALA   61 - HN    ILE   56   7.43 +/- 0.21   3.552% *  2.4447% (0.38   0.02   0.02) =   0.194%
          HG    LEU  115 - HN    ILE   56   8.03 +/- 0.80   2.770% *  2.4447% (0.38   0.02   0.02) =   0.151%
          QG    LYS+  66 - HN    ILE   56  13.68 +/- 0.82   0.095% *  4.7300% (0.73   0.02   0.02) =   0.010%
          QB    ALA  120 - HN    ILE   56  14.10 +/- 0.32   0.074% *  2.4447% (0.38   0.02   0.02) =   0.004%
          HG    LEU   67 - HN    ILE   56  16.98 +/- 1.10   0.026% *  5.4408% (0.84   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    ILE   56  18.22 +/- 0.32   0.016% *  5.8418% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE   56  17.62 +/- 0.64   0.020% *  3.4271% (0.53   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE   56  19.54 +/- 0.83   0.011% *  6.0130% (0.92   0.02   0.02) =   0.001%
          HG    LEU   80 - HZ2   TRP   87  12.05 +/- 0.99   0.221% *  0.0629% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE   56  20.21 +/- 0.66   0.009% *  1.2891% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE   56  19.35 +/- 0.40   0.011% *  1.0051% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   56  21.45 +/- 1.23   0.006% *  1.4502% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   56  27.41 +/- 1.08   0.001% *  6.2863% (0.97   0.02   0.02) =   0.000%
          HG    LEU   73 - HZ2   TRP   87  21.98 +/- 1.22   0.005% *  0.2535% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  18.19 +/- 1.10   0.017% *  0.0559% (0.01   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  25.58 +/- 1.48   0.002% *  0.2610% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HZ2   TRP   87  25.88 +/- 1.26   0.002% *  0.2728% (0.04   0.02   0.02) =   0.000%
          HG    LEU   40 - HZ2   TRP   87  27.15 +/- 1.15   0.002% *  0.2610% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  25.18 +/- 0.41   0.002% *  0.1061% (0.02   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  27.53 +/- 1.57   0.001% *  0.1061% (0.02   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  31.25 +/- 0.83   0.001% *  0.2361% (0.04   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  30.68 +/- 0.75   0.001% *  0.2053% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  28.12 +/- 1.31   0.001% *  0.1061% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  30.78 +/- 0.79   0.001% *  0.1487% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  28.30 +/- 0.85   0.001% *  0.0559% (0.01   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  28.11 +/- 1.20   0.001% *  0.0436% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 2 structures by 0.02 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 110.6:
          QG2   ILE   56 - HN    ILE   56   1.98 +/- 0.10  99.982% * 98.3345% (1.00   6.17 110.61) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56   9.48 +/- 1.53   0.013% *  0.2316% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  11.95 +/- 0.75   0.002% *  0.0631% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  18.82 +/- 0.32   0.000% *  0.3018% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  19.18 +/- 0.69   0.000% *  0.2316% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  19.28 +/- 0.56   0.000% *  0.2064% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  19.56 +/- 0.44   0.000% *  0.1197% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  13.66 +/- 1.48   0.001% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.45 +/- 0.89   0.000% *  0.0559% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  29.37 +/- 1.57   0.000% *  0.3018% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  17.02 +/- 1.79   0.000% *  0.0090% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  24.51 +/- 0.67   0.000% *  0.0710% (0.22   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  19.07 +/- 0.71   0.000% *  0.0138% (0.04   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  21.14 +/- 0.98   0.000% *  0.0131% (0.04   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  24.89 +/- 1.11   0.000% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  21.84 +/- 0.90   0.000% *  0.0027% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  30.30 +/- 1.81   0.000% *  0.0131% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  27.82 +/- 1.15   0.000% *  0.0052% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  28.55 +/- 0.90   0.000% *  0.0031% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  28.11 +/- 1.65   0.000% *  0.0024% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.909, support = 5.2, residual support = 46.8:
          HB3   CYS   53 - HN    ARG+  54   3.72 +/- 0.34  57.455% * 35.0211% (0.94   5.24  30.38) =  66.711%  kept
          QB    PHE   55 - HN    ARG+  54   4.22 +/- 0.04  26.935% * 18.6614% (0.76   3.46   2.63) =  16.665%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.94 +/- 0.27  10.926% * 45.8803% (0.95   6.80 157.17) =  16.619%  kept
          HD3   PRO   93 - HN    ARG+  54   8.23 +/- 0.75   0.545% *  0.1210% (0.85   0.02   0.02) =   0.002%
          HB2   PHE   59 - HN    ASP-  62   5.88 +/- 0.07   3.645% *  0.0133% (0.09   0.02   4.50) =   0.002%
          HB2   PHE   59 - HN    ARG+  54   9.97 +/- 0.21   0.157% *  0.0710% (0.50   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  10.34 +/- 0.13   0.124% *  0.0202% (0.14   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  10.93 +/- 0.74   0.099% *  0.0219% (0.15   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  12.31 +/- 1.16   0.052% *  0.0252% (0.18   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  12.22 +/- 0.84   0.050% *  0.0250% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  15.66 +/- 0.45   0.010% *  0.0226% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  22.71 +/- 0.63   0.001% *  0.1170% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 6.34, residual support = 157.2:
      O   HB2   ARG+  54 - HN    ARG+  54   3.32 +/- 0.24  99.308% * 91.0130% (0.26   6.34 157.17) =  99.999%  kept
          HB    ILE  119 - HN    ASP-  62   8.89 +/- 0.45   0.296% *  0.1093% (0.10   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  14.29 +/- 0.39   0.017% *  0.8264% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  11.10 +/- 0.58   0.080% *  0.1402% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  11.75 +/- 0.58   0.055% *  0.1914% (0.18   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  15.91 +/- 0.44   0.009% *  0.5843% (0.54   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  14.45 +/- 0.67   0.016% *  0.2298% (0.21   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  18.23 +/- 0.84   0.004% *  0.7495% (0.69   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  11.81 +/- 0.32   0.054% *  0.0537% (0.05   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  14.10 +/- 0.73   0.019% *  0.1402% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  16.78 +/- 0.41   0.006% *  0.3521% (0.32   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.14 +/- 0.33   0.012% *  0.1546% (0.14   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  11.66 +/- 0.33   0.056% *  0.0261% (0.02   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.49 +/- 0.71   0.025% *  0.0430% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  22.95 +/- 0.63   0.001% *  1.0230% (0.94   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  22.36 +/- 0.68   0.001% *  0.7495% (0.69   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.60 +/- 0.56   0.023% *  0.0338% (0.03   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  23.61 +/- 0.83   0.001% *  0.8953% (0.82   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  18.98 +/- 0.40   0.003% *  0.1808% (0.17   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  19.16 +/- 1.13   0.003% *  0.1675% (0.15   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  23.34 +/- 0.47   0.001% *  0.5843% (0.54   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  18.07 +/- 0.54   0.004% *  0.1093% (0.10   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  18.25 +/- 0.29   0.004% *  0.0659% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  25.96 +/- 0.83   0.000% *  0.5430% (0.50   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  23.41 +/- 0.37   0.001% *  0.1397% (0.13   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  31.41 +/- 0.55   0.000% *  0.6677% (0.61   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.76 +/- 0.38   0.001% *  0.1249% (0.11   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  26.14 +/- 0.51   0.000% *  0.1016% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.938, support = 6.25, residual support = 157.2:
          HG2   ARG+  54 - HN    ARG+  54   3.19 +/- 0.14  92.925% * 96.8363% (0.94   6.25 157.17) =  99.992%  kept
          HB3   PRO   52 - HN    ARG+  54   5.13 +/- 0.16   5.634% *  0.0966% (0.29   0.02   0.02) =   0.006%
          HB    ILE   56 - HN    ARG+  54   6.76 +/- 0.11   1.058% *  0.1523% (0.46   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    ARG+  54  13.56 +/- 1.47   0.022% *  0.3019% (0.91   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP-  62   9.60 +/- 0.11   0.129% *  0.0285% (0.09   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62   9.90 +/- 0.52   0.116% *  0.0181% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  12.12 +/- 0.51   0.034% *  0.0580% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.81 +/- 0.26   0.023% *  0.0565% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  17.55 +/- 1.34   0.004% *  0.2888% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  13.30 +/- 0.37   0.018% *  0.0584% (0.18   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  17.83 +/- 0.31   0.003% *  0.2806% (0.85   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  19.30 +/- 0.40   0.002% *  0.3122% (0.94   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  15.60 +/- 0.31   0.007% *  0.0525% (0.16   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.42 +/- 0.36   0.011% *  0.0181% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  24.14 +/- 0.52   0.001% *  0.3101% (0.94   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  20.04 +/- 0.61   0.002% *  0.0966% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  18.50 +/- 0.76   0.003% *  0.0580% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  24.51 +/- 0.31   0.000% *  0.3019% (0.91   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.85 +/- 0.41   0.000% *  0.3067% (0.93   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.41 +/- 0.28   0.001% *  0.0574% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  22.63 +/- 0.44   0.001% *  0.0619% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  23.15 +/- 1.02   0.001% *  0.0565% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  18.14 +/- 0.57   0.003% *  0.0116% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  23.91 +/- 1.12   0.001% *  0.0540% (0.16   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  22.44 +/- 1.30   0.001% *  0.0200% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  30.84 +/- 1.21   0.000% *  0.1067% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.163, support = 2.79, residual support = 8.34:
          QB    ALA   61 - HN    ASP-  62   2.68 +/- 0.05  97.814% * 72.1179% (0.16   2.79   8.35) =  99.963%  kept
          QB    ALA  110 - HN    ARG+  54   6.26 +/- 0.28   0.626% *  2.9948% (0.95   0.02   0.02) =   0.027%
          QG    LYS+  66 - HN    ASP-  62   5.81 +/- 0.94   1.387% *  0.3399% (0.11   0.02   0.02) =   0.007%
          QB    ALA   61 - HN    ARG+  54   8.92 +/- 0.21   0.073% *  2.7645% (0.87   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ASP-  62   9.87 +/- 0.59   0.044% *  0.4487% (0.14   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  10.87 +/- 0.22   0.022% *  0.5604% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  13.95 +/- 0.43   0.005% *  1.4577% (0.46   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  16.51 +/- 0.92   0.002% *  1.8164% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.65 +/- 0.43   0.009% *  0.2728% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.55 +/- 0.48   0.004% *  0.5554% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  20.30 +/- 0.46   0.001% *  2.9683% (0.94   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  20.95 +/- 1.21   0.000% *  2.9882% (0.94   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  19.97 +/- 0.46   0.001% *  2.0572% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  20.64 +/- 0.63   0.000% *  2.3980% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.65 +/- 0.57   0.004% *  0.2948% (0.09   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.54 +/- 0.54   0.001% *  1.2312% (0.39   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  15.64 +/- 0.38   0.003% *  0.2304% (0.07   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.96 +/- 0.96   0.000% *  1.5756% (0.50   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  21.21 +/- 0.37   0.000% *  0.7468% (0.24   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.44 +/- 0.35   0.002% *  0.1397% (0.04   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  24.57 +/- 1.18   0.000% *  0.5591% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  24.69 +/- 0.54   0.000% *  0.3849% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  30.60 +/- 1.04   0.000% *  0.9243% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.24 +/- 0.97   0.000% *  0.1730% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.361, support = 3.83, residual support = 15.9:
          HD2   PRO   52 - HN    GLY   51   2.00 +/- 0.29  87.413% * 45.7979% (0.34   3.96  16.97) =  86.487%  kept
      O   HA2   GLY   51 - HN    GLY   51   2.89 +/- 0.05  12.544% * 49.8621% (0.49   3.02   9.27) =  13.513%  kept
          QB    SER   48 - HN    GLY   51   8.17 +/- 0.61   0.039% *  0.5183% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLY   51  12.68 +/- 0.67   0.002% *  0.4388% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  15.73 +/- 1.05   0.001% *  0.6546% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  15.04 +/- 0.80   0.001% *  0.1188% (0.18   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  21.72 +/- 0.70   0.000% *  0.6261% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  23.88 +/- 0.66   0.000% *  0.6416% (0.95   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  19.16 +/- 0.70   0.000% *  0.1691% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  25.35 +/- 1.06   0.000% *  0.6546% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  25.40 +/- 0.56   0.000% *  0.3840% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  29.21 +/- 0.88   0.000% *  0.1342% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 1.44, residual support = 7.0:
      O   QB    CYS   50 - HN    CYS   50   2.40 +/- 0.33  99.420% * 96.0645% (0.69   1.44   7.00) =  99.990%  kept
          HB3   ASP-  78 - HN    CYS   50   6.41 +/- 0.77   0.518% *  1.6238% (0.84   0.02   0.02) =   0.009%
          QE    LYS+  74 - HN    CYS   50   9.41 +/- 1.10   0.062% *  1.4117% (0.73   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    CYS   50  23.70 +/- 0.42   0.000% *  0.3000% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  28.47 +/- 0.69   0.000% *  0.6000% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.24, residual support = 9.97:
          QB    ALA   47 - HN    CYS   50   2.57 +/- 0.30  99.989% * 97.9197% (0.57   2.24   9.97) = 100.000%  kept
          QB    ALA   64 - HN    CYS   50  14.45 +/- 0.48   0.004% *  1.1193% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  14.26 +/- 0.47   0.004% *  0.6911% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  15.29 +/- 0.89   0.003% *  0.2699% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.407, support = 3.91, residual support = 14.5:
          QB    SER   48 - HN    TRP   49   3.10 +/- 0.29  67.389% * 64.4845% (0.45   3.93  14.47) =  81.477%  kept
      O   HA    SER   48 - HN    TRP   49   3.53 +/- 0.05  31.695% * 31.1603% (0.22   3.83  14.47) =  18.518%  kept
          HD2   PRO   52 - HN    TRP   49   7.56 +/- 0.58   0.372% *  0.4730% (0.65   0.02   0.02) =   0.003%
          HA2   GLY   51 - HN    TRP   49   7.20 +/- 0.55   0.499% *  0.1628% (0.22   0.02   0.02) =   0.002%
          QB    SER   85 - HN    TRP   49  12.07 +/- 0.98   0.021% *  0.7057% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  12.72 +/- 0.74   0.015% *  0.3006% (0.41   0.02   0.02) =   0.000%
          HB    THR   94 - HN    TRP   49  13.76 +/- 0.20   0.009% *  0.2494% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  22.73 +/- 0.52   0.000% *  0.7247% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  25.30 +/- 0.78   0.000% *  0.7057% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  27.58 +/- 0.55   0.000% *  0.5023% (0.69   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  27.14 +/- 0.40   0.000% *  0.3278% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  28.66 +/- 0.37   0.000% *  0.2033% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 4.01, residual support = 86.6:
      O   HB3   TRP   49 - HN    TRP   49   3.15 +/- 0.21  99.994% * 99.4823% (0.80   4.01  86.62) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.03 +/- 0.48   0.006% *  0.5177% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 0.419, support = 2.61, residual support = 9.74:
      O   QB    SER   48 - HN    SER   48   2.27 +/- 0.19  76.523% * 62.5678% (0.45   2.61   9.74) =  86.806%  kept
      O   HA    SER   48 - HN    SER   48   2.78 +/- 0.05  23.422% * 31.0702% (0.22   2.61   9.74) =  13.194%  kept
          HD2   PRO   52 - HN    SER   48   8.89 +/- 0.61   0.024% *  0.6910% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  11.41 +/- 0.94   0.005% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   9.12 +/- 0.36   0.019% *  0.2378% (0.22   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  12.54 +/- 0.95   0.003% *  0.4391% (0.41   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  12.61 +/- 0.31   0.003% *  0.3643% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  21.70 +/- 0.56   0.000% *  1.0586% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  23.91 +/- 0.82   0.000% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  24.76 +/- 0.45   0.000% *  0.4789% (0.45   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  27.10 +/- 0.59   0.000% *  0.7337% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  27.87 +/- 0.38   0.000% *  0.2970% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.13:
          QB    ALA   47 - HN    SER   48   2.78 +/- 0.17  99.987% * 99.1203% (0.90   4.08   6.13) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.08 +/- 0.45   0.007% *  0.4337% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  14.64 +/- 0.38   0.005% *  0.2033% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  17.94 +/- 0.90   0.002% *  0.2428% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.82, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  11.17 +/- 0.33  77.594% * 52.2208% (0.84   0.02   0.02) =  79.102%  kept
          HB2   TRP   87 - HN    ALA   47  13.83 +/- 0.55  22.406% * 47.7792% (0.76   0.02   0.02) =  20.898%  kept
    Distance limit 4.45 A violated in 20 structures by 6.24 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 2.44, residual support = 9.97:
          QB    CYS   50 - HN    ALA   47   2.45 +/- 0.42  99.208% * 98.0546% (0.97   2.44   9.97) =  99.996%  kept
          QE    LYS+  74 - HN    ALA   47   7.50 +/- 0.94   0.268% *  0.8161% (0.98   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HN    ALA   47   6.53 +/- 0.70   0.519% *  0.4053% (0.49   0.02   0.75) =   0.002%
          HB2   PHE   72 - HN    ALA   47  14.31 +/- 1.03   0.005% *  0.1854% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  25.95 +/- 0.55   0.000% *  0.5386% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.21, residual support = 12.7:
          QG2   THR   46 - HN    ALA   47   3.50 +/- 0.28  99.765% * 97.5710% (0.97   3.21  12.66) =  99.999%  kept
          QG2   VAL   18 - HN    ALA   47  10.88 +/- 0.82   0.132% *  0.5656% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ALA   47  11.77 +/- 0.16   0.075% *  0.4332% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ALA   47  15.24 +/- 0.39   0.016% *  0.5966% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  16.93 +/- 0.26   0.009% *  0.3070% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  20.13 +/- 0.51   0.003% *  0.5268% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 2.36, residual support = 10.3:
      O   QB    ALA   47 - HN    ALA   47   2.24 +/- 0.07  99.989% * 98.0229% (0.57   2.36  10.27) = 100.000%  kept
          QG1   VAL   42 - HN    ALA   47  11.62 +/- 0.38   0.005% *  0.6568% (0.45   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    ALA   47  12.72 +/- 0.36   0.003% *  1.0638% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  13.63 +/- 0.82   0.002% *  0.2566% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 3.25, residual support = 34.5:
      O   HB    THR   46 - HN    THR   46   3.23 +/- 0.19  99.932% * 96.2186% (0.25   3.25  34.52) =  99.999%  kept
          HB2   HIS   22 - HN    THR   46  11.48 +/- 0.61   0.056% *  0.8102% (0.34   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HN    THR   46  15.18 +/- 0.25   0.010% *  1.8151% (0.76   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.43 +/- 0.38   0.002% *  1.1561% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.73, residual support = 12.3:
          QG2   THR   77 - HN    THR   46   2.77 +/- 0.19  98.737% * 95.7970% (0.61   3.73  12.28) =  99.997%  kept
          HB3   ASP-  44 - HN    THR   46   6.14 +/- 0.58   1.189% *  0.1885% (0.22   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    THR   46  10.07 +/- 0.51   0.047% *  0.3481% (0.41   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   46  13.51 +/- 0.49   0.008% *  0.8010% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  12.92 +/- 0.29   0.010% *  0.2614% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  15.07 +/- 0.56   0.004% *  0.5478% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  15.54 +/- 0.40   0.003% *  0.4794% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.18 +/- 0.50   0.001% *  0.7594% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  24.40 +/- 1.00   0.000% *  0.8172% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.911, support = 0.0192, residual support = 0.0192:
          QG2   VAL  108 - HN    THR   46  11.46 +/- 0.69  61.810% * 32.0586% (0.99   0.02   0.02) =  70.471%  kept
          QD1   ILE  119 - HN    THR   46  13.65 +/- 0.49  22.092% * 25.8997% (0.80   0.02   0.02) =  20.348%  kept
          HB2   LEU  104 - HN    THR   46  17.83 +/- 0.22   4.413% * 32.0586% (0.99   0.02   0.02) =   5.032%  kept
          HG3   LYS+ 112 - HN    THR   46  15.24 +/- 0.93  11.686% *  9.9831% (0.31   0.02   0.02) =   4.149%
    Distance limit 4.95 A violated in 20 structures by 5.82 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.39, residual support = 34.5:
          QG2   THR   46 - HN    THR   46   2.35 +/- 0.15  99.862% * 97.4000% (0.97   3.39  34.52) =  99.999%  kept
          QG1   VAL   43 - HN    THR   46   8.26 +/- 0.21   0.057% *  0.5640% (0.95   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    THR   46   8.64 +/- 0.91   0.049% *  0.5949% (1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  12.11 +/- 0.34   0.006% *  0.4095% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.86 +/- 0.23   0.019% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  13.41 +/- 0.27   0.003% *  0.4774% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  13.67 +/- 0.52   0.003% *  0.1487% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.22 +/- 0.56   0.001% *  0.3137% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.66, residual support = 1.93:
          QG1   VAL   75 - HN    THR   46   4.27 +/- 0.35  99.737% * 99.0129% (0.92   1.66   1.93) =  99.997%  kept
          QD1   LEU  115 - HN    THR   46  11.73 +/- 0.80   0.263% *  0.9871% (0.76   0.02   0.02) =   0.003%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.2:
          HB    THR   94 - HN    PHE   45   4.31 +/- 0.15  99.103% * 94.1909% (0.65   3.30  27.23) =  99.995%  kept
          QB    SER   48 - HN    PHE   45  11.33 +/- 0.34   0.310% *  0.6747% (0.76   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    PHE   45  11.61 +/- 0.60   0.280% *  0.3012% (0.34   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    PHE   45  14.24 +/- 0.37   0.078% *  0.4297% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    PHE   45  16.02 +/- 0.27   0.038% *  0.8150% (0.92   0.02   0.02) =   0.000%
          QB    SER   85 - HN    PHE   45  16.50 +/- 0.42   0.032% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  18.44 +/- 0.45   0.017% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  18.53 +/- 0.47   0.016% *  0.8520% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  14.88 +/- 0.36   0.060% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  18.02 +/- 0.25   0.019% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  16.95 +/- 0.46   0.028% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  17.99 +/- 0.49   0.019% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 77.1:
      O   HB2   PHE   45 - HN    PHE   45   2.15 +/- 0.04  99.988% * 99.2164% (0.99   3.65  77.07) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45  10.14 +/- 0.61   0.010% *  0.2459% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  12.99 +/- 0.45   0.002% *  0.5377% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.98, residual support = 77.1:
      O   HB3   PHE   45 - HN    PHE   45   3.44 +/- 0.02  99.074% * 98.0588% (0.87   3.98  77.07) =  99.997%  kept
          HB    VAL  107 - HN    PHE   45   7.81 +/- 0.81   0.830% *  0.2548% (0.45   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    PHE   45  11.72 +/- 0.60   0.068% *  0.4931% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  14.20 +/- 0.28   0.020% *  0.2133% (0.38   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  18.84 +/- 0.41   0.004% *  0.5247% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  18.98 +/- 0.78   0.004% *  0.4552% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.449, support = 3.33, residual support = 12.1:
          HB3   ASP-  44 - HN    PHE   45   4.42 +/- 0.20  54.609% * 64.8362% (0.49   3.53  12.38) =  79.073%  kept
          QG2   THR   77 - HN    PHE   45   4.87 +/- 0.11  31.053% * 30.1114% (0.31   2.58  11.00) =  20.883%  kept
          HB3   PRO   93 - HN    PHE   45   5.86 +/- 0.71  13.102% *  0.1165% (0.15   0.02   0.02) =   0.034%
          HB2   LEU   63 - HN    PHE   45  10.34 +/- 0.28   0.336% *  0.4579% (0.61   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HN    PHE   45  12.27 +/- 0.63   0.125% *  0.6968% (0.92   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    PHE   45  12.27 +/- 0.86   0.136% *  0.5482% (0.73   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    PHE   45  11.19 +/- 1.53   0.266% *  0.1882% (0.25   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    PHE   45  10.82 +/- 0.29   0.262% *  0.1322% (0.18   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    PHE   45  14.33 +/- 0.34   0.047% *  0.6548% (0.87   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    PHE   45  14.91 +/- 0.41   0.037% *  0.5185% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  17.64 +/- 0.46   0.014% *  0.7532% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  21.58 +/- 0.82   0.004% *  0.7285% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  19.25 +/- 0.60   0.008% *  0.2575% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    PHE   45   9.36 +/- 0.28  49.972% * 31.9268% (0.84   0.02   0.02) =  49.596%  kept
          QD1   ILE   89 - HN    PHE   45   9.92 +/- 0.80  36.866% * 30.6068% (0.80   0.02   0.02) =  35.075%  kept
          QG2   VAL   83 - HN    PHE   45  11.84 +/- 0.79  13.162% * 37.4664% (0.98   0.02   0.02) =  15.329%  kept
    Distance limit 4.60 A violated in 20 structures by 3.72 A, eliminated.
    Peak unassigned.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.72 +/- 0.04  99.794% * 98.4422% (1.00   4.10  12.49) =  99.999%  kept
          HB    VAL  107 - HN    THR   46  11.80 +/- 0.79   0.105% *  0.3852% (0.80   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  12.86 +/- 0.80   0.063% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  17.46 +/- 0.40   0.009% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  18.55 +/- 0.39   0.007% *  0.2918% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  16.06 +/- 0.24   0.016% *  0.0651% (0.14   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  19.06 +/- 0.91   0.006% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.02, residual support = 5.94:
          HN    CYS   50 - HN    CYS   53   5.76 +/- 0.36  99.928% * 47.3359% (0.87   0.02   5.94) =  99.920%  kept
        T HN    VAL   83 - HN    CYS   53  19.45 +/- 0.72   0.072% * 52.6641% (0.97   0.02   0.02) =   0.080%
    Distance limit 5.04 A violated in 18 structures by 0.72 A, eliminated.
    Peak unassigned.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.17, residual support = 50.6:
      O   HA    PRO   52 - HN    CYS   53   3.36 +/- 0.01  99.927% * 99.5430% (0.61   7.17  50.59) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  11.25 +/- 0.41   0.073% *  0.4570% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 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 = 4.79, residual support = 43.3:
      O   HA    CYS   53 - HN    CYS   53   2.72 +/- 0.01  99.997% * 98.7740% (0.90   4.79  43.29) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  16.73 +/- 0.39   0.002% *  0.1891% (0.41   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  18.74 +/- 0.52   0.001% *  0.2975% (0.65   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.42 +/- 0.56   0.000% *  0.3515% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  24.20 +/- 0.56   0.000% *  0.1891% (0.41   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  27.78 +/- 1.20   0.000% *  0.1279% (0.28   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.42 +/- 0.57   0.000% *  0.0710% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.341, support = 7.19, residual support = 50.6:
          HD2   PRO   52 - HN    CYS   53   2.44 +/- 0.02  95.690% * 94.6866% (0.34   7.19  50.59) =  99.982%  kept
          HA2   GLY   51 - HN    CYS   53   4.11 +/- 0.13   4.268% *  0.3756% (0.49   0.02   0.02) =   0.018%
          QB    SER   48 - HN    CYS   53   9.41 +/- 0.38   0.030% *  0.5897% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  11.57 +/- 0.59   0.009% *  0.4992% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  17.35 +/- 0.81   0.001% *  0.7447% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  19.53 +/- 0.28   0.000% *  0.7123% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  21.16 +/- 0.39   0.000% *  0.7300% (0.95   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  16.99 +/- 0.47   0.001% *  0.1924% (0.25   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  16.77 +/- 0.56   0.001% *  0.1351% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  23.43 +/- 0.77   0.000% *  0.7447% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.81 +/- 0.29   0.000% *  0.4369% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.16 +/- 0.61   0.000% *  0.1527% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.922, support = 5.08, residual support = 44.3:
      O   HB2   CYS   53 - HN    CYS   53   2.75 +/- 0.55  81.243% * 57.9612% (0.98   4.92  43.29) =  85.956%  kept
          HD3   PRO   52 - HN    CYS   53   3.71 +/- 0.01  18.554% * 41.4650% (0.57   6.09  50.59) =  14.044%  kept
          HD2   PRO   58 - HN    CYS   53   7.82 +/- 0.29   0.202% *  0.1556% (0.65   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    CYS   53  20.59 +/- 0.69   0.001% *  0.1362% (0.57   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.20 +/- 0.54   0.000% *  0.1556% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  29.43 +/- 0.69   0.000% *  0.1265% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.965, support = 5.59, residual support = 43.3:
      O   HB3   CYS   53 - HN    CYS   53   2.77 +/- 0.61  91.723% * 98.3093% (0.97   5.59  43.29) =  99.967%  kept
          QB    PHE   55 - HN    CYS   53   4.92 +/- 0.15   5.035% *  0.3515% (0.97   0.02   0.02) =   0.020%
          HD3   PRO   93 - HN    CYS   53   5.73 +/- 0.79   2.826% *  0.3635% (1.00   0.02   0.02) =   0.011%
          HD2   ARG+  54 - HN    CYS   53   7.56 +/- 0.34   0.370% *  0.3363% (0.92   0.02  30.38) =   0.001%
          HB2   PHE   59 - HN    CYS   53  10.73 +/- 0.26   0.046% *  0.2784% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  23.78 +/- 0.67   0.000% *  0.3610% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.687, support = 1.5, residual support = 5.94:
          QB    CYS   50 - HN    CYS   53   3.03 +/- 0.43  99.828% * 96.2191% (0.69   1.50   5.94) =  99.997%  kept
          QE    LYS+  74 - HN    CYS   53   9.97 +/- 0.60   0.109% *  1.3562% (0.73   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HN    CYS   53  11.32 +/- 0.78   0.060% *  1.5600% (0.84   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    CYS   53  20.22 +/- 0.51   0.002% *  0.2882% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  27.19 +/- 0.56   0.000% *  0.5765% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.19, residual support = 50.6:
          HG2   PRO   52 - HN    CYS   53   4.50 +/- 0.03  94.063% * 94.9746% (0.25   7.19  50.59) =  99.956%  kept
          HG2   MET   92 - HN    CYS   53   9.02 +/- 1.81   4.310% *  0.8092% (0.76   0.02   0.02) =   0.039%
          QG    GLN   90 - HN    CYS   53  10.29 +/- 1.03   0.892% *  0.1433% (0.14   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    CYS   53  13.00 +/- 0.73   0.172% *  0.7273% (0.69   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    CYS   53  11.20 +/- 0.58   0.420% *  0.2640% (0.25   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    CYS   53  14.26 +/- 0.48   0.094% *  0.6422% (0.61   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    CYS   53  16.57 +/- 0.74   0.039% *  0.1854% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  23.02 +/- 0.91   0.005% *  0.3612% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  24.74 +/- 1.54   0.004% *  0.2357% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  31.39 +/- 2.36   0.001% *  0.8479% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  32.68 +/- 0.79   0.001% *  0.8092% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.17 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 = 0.98, support = 7.19, residual support = 50.6:
          HG3   PRO   52 - HN    CYS   53   3.48 +/- 0.04  88.869% * 98.8845% (0.98   7.19  50.59) =  99.988%  kept
          HB2   PRO   93 - HN    CYS   53   5.47 +/- 0.56   7.209% *  0.1153% (0.41   0.02   0.02) =   0.009%
          HB2   ARG+  54 - HN    CYS   53   5.95 +/- 0.27   3.738% *  0.0491% (0.18   0.02  30.38) =   0.002%
          HG2   PRO   58 - HN    CYS   53   9.92 +/- 0.27   0.169% *  0.2749% (0.98   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  15.03 +/- 0.47   0.014% *  0.0380% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  27.57 +/- 1.82   0.000% *  0.2798% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  25.13 +/- 0.54   0.001% *  0.0780% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  35.29 +/- 2.55   0.000% *  0.2804% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 0.665, support = 6.98, residual support = 49.1:
      O   HB3   PRO   52 - HN    CYS   53   3.79 +/- 0.03  87.740% * 55.8936% (0.65   7.21  50.59) =  92.899%  kept
          HG2   ARG+  54 - HN    CYS   53   5.59 +/- 0.20   8.822% * 42.4697% (0.90   3.95  30.38) =   7.097%  kept
          HB    ILE   56 - HN    CYS   53   6.61 +/- 0.18   3.187% *  0.0474% (0.20   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    CYS   53  11.02 +/- 1.38   0.201% *  0.1646% (0.69   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    CYS   53  15.88 +/- 1.33   0.020% *  0.1453% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  16.63 +/- 0.40   0.013% *  0.1357% (0.57   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  18.75 +/- 0.48   0.006% *  0.2079% (0.87   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  21.10 +/- 0.61   0.003% *  0.1550% (0.65   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  23.67 +/- 0.54   0.002% *  0.2212% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  23.95 +/- 0.59   0.001% *  0.1831% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  25.66 +/- 0.37   0.001% *  0.2267% (0.95   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  22.37 +/- 0.72   0.002% *  0.0899% (0.38   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  22.08 +/- 0.59   0.002% *  0.0598% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.777, support = 5.73, residual support = 45.2:
        T HN    GLN   32 - HN    LEU   31   2.88 +/- 0.04  95.783% * 98.9692% (0.78   5.73  45.15) =  99.997%  kept
          HN    ALA   34 - HN    LEU   31   4.87 +/- 0.13   4.179% *  0.0638% (0.14   0.02   4.91) =   0.003%
          HN    THR   94 - HN    PHE   55  10.89 +/- 0.47   0.034% *  0.0503% (0.11   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  16.96 +/- 0.21   0.002% *  0.1031% (0.23   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  21.87 +/- 0.46   0.001% *  0.4126% (0.93   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  22.10 +/- 0.70   0.000% *  0.2013% (0.45   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  27.68 +/- 0.37   0.000% *  0.1685% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  26.43 +/- 0.38   0.000% *  0.0311% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.527, support = 6.96, residual support = 43.5:
        T HN    GLN   30 - HN    LEU   31   2.36 +/- 0.04  95.443% * 98.4468% (0.53   6.96  43.56) =  99.976%  kept
          HN    GLU-  29 - HN    LEU   31   3.92 +/- 0.07   4.554% *  0.4894% (0.91   0.02   0.02) =   0.024%
          HN    VAL   18 - HN    LEU   31  14.52 +/- 0.33   0.002% *  0.1388% (0.26   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  16.58 +/- 0.62   0.001% *  0.0677% (0.13   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LEU   31  22.74 +/- 0.62   0.000% *  0.3230% (0.60   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  23.67 +/- 0.64   0.000% *  0.1576% (0.29   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  26.36 +/- 0.45   0.000% *  0.2388% (0.44   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  25.17 +/- 0.42   0.000% *  0.1379% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.482, support = 3.0, residual support = 20.4:
      O   HA    PHE   55 - HN    PHE   55   2.87 +/- 0.01  93.133% * 94.2561% (0.48   3.00  20.36) =  99.984%  kept
          HA    TRP   27 - HN    LEU   31   4.47 +/- 0.11   6.573% *  0.1745% (0.13   0.02  17.19) =   0.013%
          HA    ALA  110 - HN    PHE   55   7.69 +/- 0.36   0.265% *  0.9279% (0.71   0.02   0.45) =   0.003%
          HA    ALA   91 - HN    PHE   55  12.38 +/- 1.15   0.017% *  0.4253% (0.33   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  15.21 +/- 0.73   0.004% *  0.8285% (0.64   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  15.18 +/- 0.35   0.004% *  0.5858% (0.45   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.60 +/- 0.38   0.001% *  0.4437% (0.34   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  22.37 +/- 0.30   0.000% *  0.7029% (0.54   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  23.02 +/- 0.55   0.000% *  0.6275% (0.48   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  21.46 +/- 1.22   0.001% *  0.3222% (0.25   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.30 +/- 0.43   0.000% *  0.2303% (0.18   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  26.27 +/- 0.39   0.000% *  0.4753% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.787, support = 3.13, residual support = 20.4:
      O   QB    PHE   55 - HN    PHE   55   1.96 +/- 0.04  99.493% * 94.5825% (0.79   3.13  20.36) =  99.997%  kept
          HB3   CYS   53 - HN    PHE   55   5.26 +/- 0.21   0.280% *  0.5634% (0.73   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    PHE   55   5.65 +/- 0.37   0.187% *  0.5294% (0.69   0.02   2.63) =   0.001%
          HB2   PHE   59 - HN    PHE   55   7.99 +/- 0.23   0.022% *  0.5098% (0.66   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   55   8.50 +/- 0.73   0.017% *  0.6090% (0.79   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  18.71 +/- 0.45   0.000% *  0.4623% (0.60   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  21.85 +/- 0.64   0.000% *  0.6103% (0.79   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  21.33 +/- 0.56   0.000% *  0.4268% (0.56   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  21.77 +/- 0.25   0.000% *  0.4613% (0.60   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  22.20 +/- 0.37   0.000% *  0.3861% (0.50   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.28 +/- 0.34   0.000% *  0.4582% (0.60   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.08 +/- 0.88   0.000% *  0.4010% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.468, support = 3.51, residual support = 16.9:
          HA    ASN   28 - HN    LEU   31   2.96 +/- 0.04  73.186% * 65.6695% (0.50   3.55  19.09) =  86.499%  kept
      O   HA    ARG+  54 - HN    PHE   55   3.52 +/- 0.01  25.916% * 28.9347% (0.25   3.21   2.63) =  13.496%  kept
          HA    THR   26 - HN    LEU   31   6.61 +/- 0.09   0.590% *  0.2863% (0.39   0.02   0.02) =   0.003%
          HA    ALA   34 - HN    LEU   31   7.56 +/- 0.18   0.266% *  0.4272% (0.58   0.02   4.91) =   0.002%
          HA1   GLY  101 - HN    LEU   31  12.17 +/- 1.79   0.020% *  0.4416% (0.60   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    PHE   55  12.16 +/- 0.37   0.015% *  0.5069% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.95 +/- 0.33   0.004% *  0.5528% (0.75   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  22.60 +/- 0.54   0.000% *  0.3839% (0.52   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  25.22 +/- 0.39   0.000% *  0.4881% (0.66   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  26.60 +/- 0.40   0.000% *  0.5639% (0.77   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  26.19 +/- 0.93   0.000% *  0.4187% (0.57   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  28.27 +/- 1.09   0.000% *  0.5830% (0.79   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.41 +/- 0.50   0.000% *  0.3780% (0.51   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  23.76 +/- 0.43   0.000% *  0.1366% (0.19   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  23.93 +/- 0.52   0.000% *  0.1301% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  27.93 +/- 0.61   0.000% *  0.0985% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 7.14, residual support = 226.9:
      O   HA    LEU   31 - HN    LEU   31   2.74 +/- 0.01 100.000% * 99.8635% (0.60   7.14 226.85) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  24.51 +/- 0.42   0.000% *  0.1365% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.475, support = 5.27, residual support = 28.1:
          HB2   ARG+  54 - HN    PHE   55   3.56 +/- 0.11  60.902% * 14.7872% (0.39   3.26   2.63) =  37.659%  kept
          HB2   GLN   30 - HN    LEU   31   4.13 +/- 0.11  25.041% * 35.1078% (0.48   6.22  43.56) =  36.763%  kept
          HG3   GLN   30 - HN    LEU   31   4.84 +/- 0.55  12.739% * 48.0106% (0.60   6.87  43.56) =  25.575%  kept
          HB2   PRO   93 - HN    PHE   55   7.23 +/- 0.69   1.024% *  0.0414% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    LEU   31   9.72 +/- 0.44   0.151% *  0.0435% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    PHE   55  12.24 +/- 0.37   0.037% *  0.1054% (0.45   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  13.65 +/- 0.46   0.019% *  0.1490% (0.64   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  12.71 +/- 1.38   0.039% *  0.0686% (0.29   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  14.73 +/- 1.28   0.015% *  0.1223% (0.52   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  15.56 +/- 0.44   0.009% *  0.1054% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  15.27 +/- 0.57   0.010% *  0.0686% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  18.31 +/- 0.53   0.003% *  0.1223% (0.52   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  18.73 +/- 0.75   0.003% *  0.0906% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  22.47 +/- 0.60   0.001% *  0.1615% (0.69   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  24.44 +/- 0.87   0.001% *  0.1845% (0.79   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  23.93 +/- 0.45   0.001% *  0.1490% (0.64   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  22.45 +/- 0.65   0.001% *  0.0906% (0.39   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  22.53 +/- 0.85   0.001% *  0.0798% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  19.71 +/- 0.81   0.002% *  0.0314% (0.13   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  24.55 +/- 0.57   0.001% *  0.1129% (0.48   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  25.54 +/- 0.69   0.000% *  0.0798% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  26.51 +/- 0.46   0.000% *  0.0686% (0.29   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.74 +/- 0.48   0.000% *  0.1615% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.40 +/- 0.77   0.000% *  0.0575% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 7.14, residual support = 226.8:
      O   HB2   LEU   31 - HN    LEU   31   2.18 +/- 0.06  99.902% * 96.0055% (0.78   7.14 226.85) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   7.50 +/- 0.51   0.070% *  0.1141% (0.33   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.74 +/- 1.05   0.009% *  0.2794% (0.81   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  11.59 +/- 0.59   0.005% *  0.1568% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  13.78 +/- 0.74   0.002% *  0.3213% (0.93   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.53 +/- 0.53   0.003% *  0.1209% (0.35   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  12.99 +/- 0.20   0.002% *  0.1557% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  14.98 +/- 0.45   0.001% *  0.3046% (0.88   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  13.55 +/- 0.69   0.002% *  0.1568% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  13.01 +/- 0.34   0.002% *  0.1201% (0.35   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  16.53 +/- 0.41   0.001% *  0.2461% (0.71   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  17.48 +/- 0.57   0.000% *  0.3192% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.69 +/- 0.51   0.001% *  0.1201% (0.35   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  19.98 +/- 0.84   0.000% *  0.2339% (0.68   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  19.66 +/- 0.53   0.000% *  0.1486% (0.43   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.80 +/- 0.58   0.000% *  0.1486% (0.43   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  18.34 +/- 0.60   0.000% *  0.0637% (0.18   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  24.02 +/- 0.91   0.000% *  0.3046% (0.88   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  21.95 +/- 1.63   0.000% *  0.1363% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  25.11 +/- 0.87   0.000% *  0.2461% (0.71   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  25.71 +/- 0.43   0.000% *  0.1312% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  20.46 +/- 0.31   0.000% *  0.0311% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  26.74 +/- 0.45   0.000% *  0.0765% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  31.68 +/- 1.18   0.000% *  0.0590% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 7.14, residual support = 226.8:
      O   HB3   LEU   31 - HN    LEU   31   3.46 +/- 0.03  98.407% * 98.4081% (0.83   7.14 226.85) =  99.999%  kept
          HD3   LYS+ 112 - HN    PHE   55   7.97 +/- 0.82   0.857% *  0.0463% (0.14   0.02   0.24) =   0.000%
          QB    ALA   20 - HN    LEU   31  10.78 +/- 0.19   0.108% *  0.2757% (0.83   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LEU   31   8.68 +/- 0.21   0.402% *  0.0684% (0.21   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    PHE   55  10.23 +/- 0.30   0.150% *  0.0463% (0.14   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  12.63 +/- 0.32   0.042% *  0.1384% (0.42   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  14.43 +/- 0.49   0.019% *  0.1345% (0.41   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.63 +/- 0.47   0.006% *  0.0949% (0.29   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  22.20 +/- 0.62   0.001% *  0.2838% (0.86   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  18.35 +/- 1.29   0.005% *  0.0334% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.94 +/- 0.32   0.002% *  0.0789% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  23.76 +/- 0.53   0.001% *  0.1618% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  25.86 +/- 0.42   0.001% *  0.1345% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  27.88 +/- 0.87   0.000% *  0.0949% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.651, support = 6.77, residual support = 207.6:
          HG    LEU   31 - HN    LEU   31   3.31 +/- 0.23  80.743% * 66.2141% (0.64   7.14 226.85) =  91.301%  kept
          QD2   LEU   73 - HN    LEU   31   4.49 +/- 0.26  15.500% * 32.8412% (0.78   2.91   5.09) =   8.693%  kept
          QD1   ILE   56 - HN    PHE   55   6.10 +/- 0.07   2.124% *  0.1305% (0.45   0.02  16.07) =   0.005%
          QG1   VAL   41 - HN    LEU   31   6.47 +/- 0.42   1.620% *  0.0473% (0.16   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   31  17.86 +/- 0.31   0.003% *  0.2676% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  16.91 +/- 0.29   0.005% *  0.1100% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  22.34 +/- 0.57   0.001% *  0.1854% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  20.52 +/- 0.52   0.002% *  0.0905% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  23.78 +/- 0.48   0.001% *  0.0905% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  19.67 +/- 0.35   0.002% *  0.0231% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.89, residual support = 226.8:
          QD2   LEU   31 - HN    LEU   31   2.25 +/- 0.13  99.951% * 97.7485% (0.18   6.89 226.85) =  99.999%  kept
          QG2   VAL   43 - HN    LEU   31   8.13 +/- 0.22   0.047% *  1.4203% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   43 - HN    PHE   55  13.70 +/- 0.39   0.002% *  0.6928% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  18.77 +/- 0.31   0.000% *  0.1383% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.602, support = 3.26, residual support = 5.09:
          QD1   LEU   73 - HN    LEU   31   3.25 +/- 0.16  99.518% * 94.1428% (0.60   3.26   5.09) =  99.998%  kept
          QD2   LEU  115 - HN    PHE   55   8.66 +/- 0.33   0.290% *  0.4121% (0.43   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   31  11.73 +/- 0.35   0.049% *  0.8619% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    PHE   55  10.61 +/- 0.37   0.087% *  0.2818% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   31  13.39 +/- 0.52   0.022% *  0.8852% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   31  14.72 +/- 0.69   0.012% *  0.5777% (0.60   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   31  15.13 +/- 0.44   0.010% *  0.5777% (0.60   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   31  20.06 +/- 0.51   0.002% *  0.8448% (0.88   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    PHE   55  18.44 +/- 1.14   0.003% *  0.4204% (0.44   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  17.44 +/- 0.26   0.004% *  0.2818% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  20.09 +/- 0.56   0.002% *  0.4318% (0.45   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  20.62 +/- 0.56   0.002% *  0.2818% (0.29   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.676, support = 7.38, residual support = 43.6:
          HB3   GLN   30 - HN    LEU   31   3.00 +/- 0.07  94.659% * 97.7819% (0.68   7.38  43.56) =  99.996%  kept
          HB    ILE   56 - HN    PHE   55   4.91 +/- 0.09   5.044% *  0.0669% (0.17   0.02  16.07) =   0.004%
          HB3   PRO   58 - HN    PHE   55   8.23 +/- 0.31   0.233% *  0.1746% (0.44   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    PHE   55  12.68 +/- 1.16   0.021% *  0.1545% (0.39   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.44 +/- 0.72   0.013% *  0.1921% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  15.00 +/- 2.17   0.012% *  0.1370% (0.35   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  13.44 +/- 0.32   0.012% *  0.0563% (0.14   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  20.47 +/- 1.83   0.001% *  0.3167% (0.81   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  22.83 +/- 3.44   0.001% *  0.2067% (0.53   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  24.44 +/- 0.53   0.000% *  0.3579% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  16.71 +/- 0.43   0.003% *  0.0275% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  22.52 +/- 0.37   0.001% *  0.1370% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  23.28 +/- 0.42   0.000% *  0.1293% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  26.97 +/- 1.84   0.000% *  0.0669% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  30.31 +/- 1.15   0.000% *  0.0937% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  34.48 +/- 2.57   0.000% *  0.1008% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.507, support = 6.65, residual support = 41.6:
          HG2   GLN   30 - HN    LEU   31   4.38 +/- 0.49  64.127% * 86.4514% (0.49   7.15  43.56) =  92.153%  kept
          HB3   ASN   28 - HN    LEU   31   4.86 +/- 0.05  35.854% * 13.1669% (0.71   0.75  19.09) =   7.847%  kept
          QE    LYS+ 121 - HN    LEU   31  20.67 +/- 1.11   0.006% *  0.0622% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  19.19 +/- 1.03   0.010% *  0.0303% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  24.66 +/- 0.60   0.002% *  0.1179% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  27.65 +/- 0.37   0.001% *  0.1713% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.37, residual support = 43.6:
      O   HA    GLN   30 - HN    LEU   31   3.54 +/- 0.02  87.543% * 96.6549% (0.64   6.37  43.56) =  99.988%  kept
          HB2   CYS   53 - HN    PHE   55   5.10 +/- 0.14   9.981% *  0.0599% (0.13   0.02   0.02) =   0.007%
          HD3   PRO   52 - HN    PHE   55   6.64 +/- 0.17   2.045% *  0.1646% (0.35   0.02   1.23) =   0.004%
          HB    THR   39 - HN    LEU   31  10.25 +/- 0.99   0.177% *  0.3206% (0.68   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    LEU   31   9.91 +/- 0.58   0.196% *  0.2499% (0.53   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   31  16.86 +/- 2.58   0.015% *  0.3374% (0.71   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  19.31 +/- 0.62   0.003% *  0.4327% (0.91   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.94 +/- 0.37   0.024% *  0.0479% (0.10   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  17.08 +/- 0.84   0.007% *  0.1219% (0.26   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  22.64 +/- 1.10   0.001% *  0.2499% (0.53   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  21.60 +/- 0.70   0.002% *  0.1227% (0.26   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.57 +/- 0.66   0.000% *  0.3374% (0.71   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.93 +/- 0.53   0.002% *  0.0983% (0.21   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  25.13 +/- 0.80   0.001% *  0.2111% (0.44   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  25.41 +/- 2.17   0.001% *  0.1646% (0.35   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.17 +/- 0.44   0.001% *  0.1479% (0.31   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.53 +/- 0.53   0.001% *  0.1564% (0.33   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  28.92 +/- 0.78   0.000% *  0.1219% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 6.38, residual support = 157.2:
      O   HA    ARG+  54 - HN    ARG+  54   2.73 +/- 0.02  99.910% * 96.9308% (0.61   6.38 157.17) = 100.000%  kept
          HA    LEU  115 - HN    ASP-  62  10.44 +/- 0.34   0.033% *  0.0877% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ARG+  54  14.25 +/- 0.35   0.005% *  0.4688% (0.94   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  10.05 +/- 0.19   0.040% *  0.0569% (0.11   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  17.22 +/- 0.31   0.002% *  0.3039% (0.61   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  15.03 +/- 0.25   0.004% *  0.0569% (0.11   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  15.98 +/- 0.49   0.003% *  0.0462% (0.09   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.41 +/- 0.95   0.001% *  0.0823% (0.17   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.50 +/- 0.41   0.000% *  0.4698% (0.95   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  19.14 +/- 0.40   0.001% *  0.0832% (0.17   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  26.64 +/- 0.46   0.000% *  0.4444% (0.89   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  21.81 +/- 0.51   0.000% *  0.0879% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  26.03 +/- 0.45   0.000% *  0.2472% (0.50   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.73 +/- 1.21   0.000% *  0.3762% (0.76   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  25.14 +/- 0.52   0.000% *  0.1450% (0.29   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  22.97 +/- 0.96   0.000% *  0.0704% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  23.43 +/- 0.56   0.000% *  0.0271% (0.05   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  25.41 +/- 0.77   0.000% *  0.0154% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 4.01, residual support = 86.6:
      O   HB2   TRP   49 - HN    TRP   49   3.52 +/- 0.24  99.905% * 98.0872% (0.98   4.01  86.62) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  12.02 +/- 0.81   0.075% *  0.4948% (0.99   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  15.03 +/- 0.53   0.018% *  0.4477% (0.90   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  23.07 +/- 0.49   0.001% *  0.4722% (0.95   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  24.72 +/- 0.36   0.001% *  0.4981% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 0.998, support = 2.66, residual support = 15.5:
          QB    ALA   47 - HE1   TRP   49   3.30 +/- 0.24  99.986% * 98.6240% (1.00   2.66  15.46) = 100.000%  kept
          QG1   VAL   42 - HE1   TRP   49  16.68 +/- 0.68   0.006% *  0.7179% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HE1   TRP   49  19.08 +/- 1.88   0.003% *  0.5109% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  17.86 +/- 0.62   0.004% *  0.1472% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.9, residual support = 15.5:
          QB    ALA   47 - HN    TRP   49   2.57 +/- 0.11  99.995% * 99.0593% (1.00   3.90  15.46) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.33 +/- 0.43   0.002% *  0.4907% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  17.46 +/- 0.86   0.001% *  0.3493% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  15.66 +/- 0.38   0.002% *  0.1006% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.786, support = 0.0611, residual support = 0.0199:
          HB2   CYS   53 - HN    ALA   47   4.50 +/- 0.52  93.784% * 11.4612% (0.90   0.02   0.02) =  77.444%  kept
          HD3   PRO   52 - HN    ALA   47   7.43 +/- 0.55   5.698% * 54.0267% (0.41   0.21   0.02) =  22.181%  kept
          HD2   PRO   58 - HN    ALA   47  11.19 +/- 0.37   0.444% * 10.2332% (0.80   0.02   0.02) =   0.327%
          HA    VAL   83 - HN    ALA   47  15.76 +/- 0.33   0.062% *  9.2799% (0.73   0.02   0.02) =   0.041%
          HA    GLN   30 - HN    ALA   47  21.23 +/- 0.27   0.010% *  6.2205% (0.49   0.02   0.02) =   0.004%
          HA    GLU- 100 - HN    ALA   47  26.68 +/- 0.60   0.002% *  8.7784% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.66 A violated in 7 structures by 0.09 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.03, residual support = 34.9:
      O   HB2   ASP-  44 - HN    ASP-  44   2.80 +/- 0.29  98.710% * 96.4588% (0.87   3.03  34.90) =  99.992%  kept
          HB3   PHE   72 - HN    ASP-  44   6.00 +/- 0.68   1.249% *  0.5614% (0.76   0.02   0.02) =   0.007%
          QG    GLU-  15 - HN    ASP-  44  13.63 +/- 1.08   0.009% *  0.6949% (0.95   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  13.10 +/- 0.45   0.012% *  0.2506% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  16.45 +/- 1.46   0.004% *  0.6136% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  44  15.77 +/- 0.71   0.004% *  0.5046% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  13.47 +/- 0.66   0.011% *  0.1287% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  23.69 +/- 2.20   0.000% *  0.6588% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.58 +/- 0.55   0.001% *  0.1287% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.867, support = 3.04, residual support = 6.99:
          HB2   LEU   73 - HN    ASP-  44   4.41 +/- 0.18  95.946% * 96.0868% (0.87   3.04   6.99) =  99.981%  kept
          QG1   ILE   56 - HN    ASP-  44   8.02 +/- 0.25   2.804% *  0.4414% (0.61   0.02   0.02) =   0.013%
          HB3   MET   92 - HN    ASP-  44  11.61 +/- 0.70   0.317% *  0.5285% (0.73   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HN    ASP-  44  12.91 +/- 0.32   0.162% *  0.7134% (0.98   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    ASP-  44  11.23 +/- 0.73   0.398% *  0.2246% (0.31   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    ASP-  44  13.78 +/- 0.52   0.110% *  0.7214% (0.99   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    ASP-  44  13.41 +/- 0.59   0.128% *  0.3543% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ASP-  44  17.53 +/- 0.49   0.025% *  0.4414% (0.61   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ASP-  44  14.95 +/- 0.45   0.066% *  0.1123% (0.15   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ASP-  44  17.13 +/- 0.61   0.030% *  0.1275% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  19.21 +/- 0.32   0.015% *  0.2483% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.589, support = 1.25, residual support = 5.98:
          HB2   LYS+  74 - HN    ASP-  44   4.91 +/- 0.15  71.470% * 61.9487% (0.65   1.22   5.98) =  84.299%  kept
          HD3   LYS+  74 - HN    ASP-  44   5.84 +/- 0.39  27.019% * 30.4530% (0.28   1.40   5.98) =  15.666%  kept
          QG2   THR   26 - HN    ASP-  44  10.50 +/- 0.39   0.773% *  1.4048% (0.90   0.02   0.02) =   0.021%
          HG2   LYS+  65 - HN    ASP-  44  13.01 +/- 0.84   0.219% *  1.4818% (0.95   0.02   0.02) =   0.006%
          QD    LYS+  66 - HN    ASP-  44  14.87 +/- 0.87   0.099% *  1.4048% (0.90   0.02   0.02) =   0.003%
          HG    LEU  104 - HN    ASP-  44  13.67 +/- 0.66   0.158% *  0.6440% (0.41   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HN    ASP-  44  16.39 +/- 0.69   0.052% *  1.5354% (0.98   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HN    ASP-  44  14.12 +/- 0.56   0.128% *  0.4835% (0.31   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HN    ASP-  44  15.22 +/- 0.38   0.081% *  0.6440% (0.41   0.02   0.02) =   0.001%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 34.9:
      O   HB3   ASP-  44 - HN    ASP-  44   3.04 +/- 0.44  99.306% * 95.3177% (0.99   3.33  34.90) =  99.996%  kept
          HB2   LEU   63 - HN    ASP-  44   8.99 +/- 0.34   0.210% *  0.5462% (0.95   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ASP-  44   9.20 +/- 0.85   0.223% *  0.4822% (0.84   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ASP-  44   9.86 +/- 1.45   0.130% *  0.5462% (0.95   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  44  11.69 +/- 0.36   0.040% *  0.4192% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44  12.67 +/- 0.20   0.024% *  0.5008% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44  13.11 +/- 0.67   0.020% *  0.5008% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  15.52 +/- 0.64   0.008% *  0.3735% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  13.34 +/- 0.27   0.018% *  0.1605% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.28 +/- 0.53   0.009% *  0.2167% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.86 +/- 0.57   0.002% *  0.5722% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  17.44 +/- 0.44   0.004% *  0.1143% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.75 +/- 0.94   0.002% *  0.1605% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  18.73 +/- 0.75   0.003% *  0.0891% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.895, support = 4.16, residual support = 15.1:
          QG1   VAL   43 - HN    ASP-  44   4.20 +/- 0.14  72.861% * 97.7617% (0.90   4.17  15.18) =  99.808%  kept
          QG2   VAL   18 - HN    ASP-  44   5.99 +/- 1.00  12.943% *  0.5214% (1.00   0.02   0.02) =   0.095%
          QG2   THR   46 - HN    ASP-  44   5.75 +/- 0.42  11.943% *  0.5179% (0.99   0.02   0.02) =   0.087%
          QG1   VAL   41 - HN    ASP-  44   8.70 +/- 0.27   0.970% *  0.3794% (0.73   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    ASP-  44   9.10 +/- 0.23   0.721% *  0.3993% (0.76   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    ASP-  44   9.85 +/- 0.49   0.462% *  0.1034% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ASP-  44  12.78 +/- 0.60   0.100% *  0.3169% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.71, residual support = 15.2:
          QG2   VAL   43 - HN    ASP-  44   2.87 +/- 0.16  99.482% * 99.0022% (0.65   3.71  15.18) =  99.997%  kept
          QD2   LEU   31 - HN    ASP-  44   7.02 +/- 0.19   0.492% *  0.6311% (0.76   0.02   0.02) =   0.003%
          QG2   VAL   83 - HN    ASP-  44  13.35 +/- 0.63   0.011% *  0.2549% (0.31   0.02   0.02) =   0.000%
          QD1   ILE   89 - HN    ASP-  44  12.63 +/- 1.00   0.016% *  0.1118% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.515, support = 0.0196, residual support = 0.0196:
          HA    PHE   45 - HN    VAL   43   7.86 +/- 0.09  97.200% * 36.5033% (0.53   0.02   0.02) =  97.795%  kept
          HA    ASP-  78 - HN    VAL   43  16.96 +/- 0.26   0.970% * 42.0822% (0.61   0.02   0.02) =   1.125%
          HA    THR   23 - HN    VAL   43  15.36 +/- 0.63   1.830% * 21.4145% (0.31   0.02   0.02) =   1.080%
    Distance limit 4.86 A violated in 20 structures by 3.00 A, eliminated.
    Peak unassigned.
 
    Peak 1011 (5.33, 9.16, 125.94 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.5, residual support = 16.4:
          HA    MET   96 - HN    VAL   43   4.64 +/- 0.08 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 2.96, residual support = 16.4:
          HB2   MET   96 - HN    VAL   43   3.04 +/- 0.16  99.620% * 97.4132% (0.97   2.96  16.41) =  99.999%  kept
          HB    VAL   70 - HN    VAL   43   9.21 +/- 0.47   0.146% *  0.6123% (0.90   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    VAL   43   8.75 +/- 0.38   0.196% *  0.1898% (0.28   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    VAL   43  13.37 +/- 0.66   0.015% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  14.40 +/- 0.91   0.010% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  14.21 +/- 0.61   0.010% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  17.49 +/- 0.41   0.003% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.23, residual support = 60.3:
      O   HB    VAL   43 - HN    VAL   43   2.62 +/- 0.16  99.965% * 98.9789% (0.87   4.23  60.32) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.39 +/- 0.51   0.029% *  0.4119% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  14.73 +/- 0.48   0.003% *  0.0832% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  19.62 +/- 0.92   0.001% *  0.4316% (0.80   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  17.08 +/- 0.55   0.001% *  0.0944% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.834, support = 5.66, residual support = 40.4:
          HB    VAL   42 - HN    VAL   43   4.17 +/- 0.28  63.729% * 96.5460% (0.84   5.67  40.47) =  99.888%  kept
          HB3   LEU   73 - HN    VAL   43   6.08 +/- 0.57   7.475% *  0.3656% (0.90   0.02   9.21) =   0.044%
          HG    LEU   98 - HN    VAL   43   6.11 +/- 1.48  12.086% *  0.1984% (0.49   0.02   0.02) =   0.039%
          HB3   ASP-  44 - HN    VAL   43   5.84 +/- 0.49  10.168% *  0.1017% (0.25   0.02  15.18) =   0.017%
          QB    LEU   98 - HN    VAL   43   6.54 +/- 0.30   4.728% *  0.0714% (0.18   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HN    VAL   43   9.56 +/- 0.28   0.445% *  0.4068% (1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    VAL   43  10.63 +/- 0.56   0.259% *  0.2637% (0.65   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    VAL   43   8.52 +/- 0.32   0.932% *  0.0714% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  14.68 +/- 0.77   0.037% *  0.3763% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  14.50 +/- 0.49   0.038% *  0.3405% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    VAL   43  14.74 +/- 0.96   0.036% *  0.3115% (0.76   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   43  14.82 +/- 0.27   0.032% *  0.2473% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  17.47 +/- 0.48   0.012% *  0.3934% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  16.64 +/- 0.72   0.016% *  0.1530% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  20.16 +/- 2.12   0.008% *  0.1530% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.85 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 = 0.897, support = 5.22, residual support = 60.3:
          QG1   VAL   43 - HN    VAL   43   2.56 +/- 0.26  99.119% * 98.2040% (0.90   5.22  60.32) =  99.997%  kept
          QG1   VAL   41 - HN    VAL   43   6.28 +/- 0.27   0.530% *  0.3044% (0.73   0.02   3.09) =   0.002%
          QG2   VAL   18 - HN    VAL   43   8.12 +/- 0.91   0.158% *  0.4183% (1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   43   9.09 +/- 0.45   0.062% *  0.4155% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   9.25 +/- 0.60   0.053% *  0.2543% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.61 +/- 0.21   0.022% *  0.3204% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   9.48 +/- 0.75   0.056% *  0.0830% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.723, support = 2.85, residual support = 3.07:
          QG2   VAL   41 - HN    VAL   43   4.39 +/- 0.04  55.640% * 96.9544% (0.73   2.86   3.09) =  99.600%  kept
          QD2   LEU   98 - HN    VAL   43   5.19 +/- 1.21  33.138% *  0.4917% (0.53   0.02   0.02) =   0.301%
          QD1   LEU   63 - HN    VAL   43   6.63 +/- 0.37   5.147% *  0.4190% (0.45   0.02   0.02) =   0.040%
          QD1   LEU   73 - HN    VAL   43   6.80 +/- 0.25   4.229% *  0.4190% (0.45   0.02   9.21) =   0.033%
          QD2   LEU   63 - HN    VAL   43   8.19 +/- 0.56   1.504% *  0.9162% (0.98   0.02   0.02) =   0.025%
          QD2   LEU  115 - HN    VAL   43  11.07 +/- 0.49   0.223% *  0.1637% (0.18   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   43  14.93 +/- 1.70   0.050% *  0.4917% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   43  13.65 +/- 0.95   0.068% *  0.1442% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.17, residual support = 40.5:
          QG1   VAL   42 - HN    VAL   43   2.42 +/- 0.37  99.861% * 99.2515% (0.97   5.17  40.47) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   7.77 +/- 0.23   0.132% *  0.0787% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  13.05 +/- 0.11   0.006% *  0.3967% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  15.88 +/- 0.70   0.002% *  0.2731% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.7, support = 0.0193, residual support = 0.0193:
          QD2   LEU   31 - HN    VAL   43   6.85 +/- 0.20  97.229% * 27.6841% (0.73   0.02   0.02) =  96.445%  kept
          QD1   ILE   89 - HN    VAL   43  13.73 +/- 0.80   1.636% * 34.1913% (0.90   0.02   0.02) =   2.004%
          QG2   VAL   83 - HN    VAL   43  14.56 +/- 0.85   1.135% * 38.1246% (1.00   0.02   0.02) =   1.551%
    Distance limit 4.31 A violated in 20 structures by 2.54 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.921, support = 5.22, residual support = 22.9:
          HB    VAL   41 - HN    VAL   42   4.20 +/- 0.14  63.260% * 88.1715% (0.97   5.39  24.22) =  94.123%  kept
          HB2   LEU   71 - HN    VAL   42   4.68 +/- 0.30  34.970% *  9.9506% (0.22   2.63   2.46) =   5.872%  kept
          HG12  ILE  103 - HN    VAL   42   9.75 +/- 0.60   0.430% *  0.3393% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   42  10.52 +/- 0.28   0.259% *  0.2834% (0.84   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    VAL   42   9.24 +/- 0.30   0.563% *  0.0523% (0.15   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   42  11.77 +/- 0.46   0.135% *  0.1157% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  11.61 +/- 0.30   0.143% *  0.0846% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.99 +/- 0.16   0.116% *  0.0671% (0.20   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  16.21 +/- 0.60   0.019% *  0.3043% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  12.90 +/- 0.33   0.076% *  0.0755% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.58 +/- 0.68   0.017% *  0.1921% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  20.21 +/- 0.75   0.005% *  0.3043% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  19.98 +/- 0.57   0.006% *  0.0594% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 5.57, residual support = 87.7:
      O   HB    VAL   42 - HN    VAL   42   2.46 +/- 0.26  97.708% * 97.0842% (0.98   5.57  87.70) =  99.994%  kept
          HB3   LEU   73 - HN    VAL   42   5.95 +/- 0.86   1.245% *  0.3365% (0.95   0.02   2.37) =   0.004%
          QB    LEU   98 - HN    VAL   42   6.54 +/- 0.28   0.323% *  0.2014% (0.57   0.02   0.43) =   0.001%
          HG    LEU   98 - HN    VAL   42   6.72 +/- 1.06   0.653% *  0.0481% (0.14   0.02   0.43) =   0.000%
          HG3   LYS+  33 - HN    VAL   42  11.18 +/- 1.20   0.016% *  0.3549% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.07 +/- 0.31   0.028% *  0.1098% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  12.68 +/- 0.51   0.006% *  0.3486% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  12.28 +/- 0.21   0.008% *  0.2718% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  14.56 +/- 0.74   0.003% *  0.3283% (0.92   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  16.93 +/- 2.08   0.002% *  0.2971% (0.84   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  13.47 +/- 1.23   0.005% *  0.0989% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.41 +/- 0.68   0.003% *  0.0792% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  20.63 +/- 0.48   0.000% *  0.3085% (0.87   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  17.54 +/- 0.21   0.001% *  0.0704% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  19.37 +/- 0.75   0.001% *  0.0623% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.98, support = 1.29, residual support = 2.07:
          QD1   LEU   40 - HN    VAL   42   4.66 +/- 0.09  95.973% * 98.0010% (0.98   1.29   2.07) =  99.947%  kept
          QD2   LEU   67 - HN    VAL   42   8.00 +/- 0.32   3.909% *  1.2432% (0.80   0.02   0.02) =   0.052%
          QG1   VAL  108 - HN    VAL   42  14.41 +/- 0.73   0.118% *  0.7557% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.827, support = 5.05, residual support = 33.8:
          QG1   VAL   43 - HN    VAL   42   4.20 +/- 0.25  53.919% * 51.3974% (0.90   4.76  40.47) =  58.911%  kept
          QG1   VAL   41 - HN    VAL   42   4.40 +/- 0.10  40.462% * 47.7459% (0.73   5.46  24.22) =  41.067%  kept
          QG2   VAL   18 - HN    VAL   42   7.32 +/- 0.80   2.665% *  0.2403% (1.00   0.02   0.02) =   0.014%
          QD1   ILE   19 - HN    VAL   42   8.34 +/- 0.33   0.927% *  0.1840% (0.76   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    VAL   42   8.78 +/- 0.62   0.787% *  0.1461% (0.61   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    VAL   42   8.78 +/- 1.20   1.066% *  0.0477% (0.20   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   42  11.04 +/- 0.44   0.173% *  0.2387% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 6.36, residual support = 24.2:
          QG2   VAL   41 - HN    VAL   42   3.10 +/- 0.10  93.193% * 98.6084% (0.73   6.36  24.22) =  99.983%  kept
          QD2   LEU   98 - HN    VAL   42   5.65 +/- 0.95   4.062% *  0.2247% (0.53   0.02   0.43) =   0.010%
          QD1   LEU   73 - HN    VAL   42   6.07 +/- 0.36   1.810% *  0.1915% (0.45   0.02   2.37) =   0.004%
          QD2   LEU   63 - HN    VAL   42   8.26 +/- 0.73   0.362% *  0.4186% (0.98   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    VAL   42   7.55 +/- 0.53   0.541% *  0.1915% (0.45   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   42  12.79 +/- 0.56   0.020% *  0.0748% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    VAL   42  16.86 +/- 1.46   0.004% *  0.2247% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  15.20 +/- 0.80   0.007% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 87.7:
          QG1   VAL   42 - HN    VAL   42   3.67 +/- 0.20  99.978% * 99.2617% (0.87   5.46  87.70) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.75 +/- 0.14   0.017% *  0.3202% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  18.83 +/- 0.73   0.006% *  0.4181% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.606, support = 5.33, residual support = 87.7:
          QG2   VAL   42 - HN    VAL   42   2.66 +/- 0.31  69.649% * 99.6405% (0.61   5.33  87.70) =  99.963%  kept
          QG2   VAL   70 - HN    VAL   42   3.12 +/- 0.29  30.281% *  0.0833% (0.14   0.02   1.24) =   0.036%
          QG2   VAL   75 - HN    VAL   42   8.63 +/- 0.37   0.069% *  0.2761% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.897, support = 4.37, residual support = 71.8:
      O   HB    VAL   41 - HN    VAL   41   3.16 +/- 0.42  96.330% * 97.1015% (0.90   4.37  71.80) =  99.987%  kept
          HB2   LEU   71 - HN    VAL   41   6.08 +/- 0.17   2.346% *  0.3007% (0.61   0.02   2.75) =   0.008%
          HG12  ILE  103 - HN    VAL   41   7.43 +/- 0.54   0.883% *  0.3789% (0.76   0.02   0.02) =   0.004%
          QB    LYS+ 102 - HN    VAL   41   8.30 +/- 0.55   0.372% *  0.3789% (0.76   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   41  12.10 +/- 0.30   0.037% *  0.4913% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  14.23 +/- 0.25   0.014% *  0.3207% (0.65   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  17.13 +/- 0.53   0.005% *  0.2413% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.18 +/- 0.53   0.002% *  0.4689% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  15.29 +/- 0.95   0.011% *  0.0765% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.15 +/- 0.70   0.001% *  0.2413% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.175, support = 4.13, residual support = 21.0:
          HG    LEU   40 - HN    VAL   41   3.67 +/- 0.47  97.288% * 81.9845% (0.18   4.14  21.05) =  99.946%  kept
          HB3   LEU   67 - HN    VAL   41   8.49 +/- 0.50   0.854% *  2.1417% (0.95   0.02   0.02) =   0.023%
          HG    LEU   73 - HN    VAL   41   8.77 +/- 1.63   1.219% *  1.3732% (0.61   0.02   0.23) =   0.021%
          HG2   LYS+ 102 - HN    VAL   41  10.37 +/- 0.62   0.281% *  1.1020% (0.49   0.02   0.02) =   0.004%
          HG12  ILE   19 - HN    VAL   41  12.41 +/- 1.04   0.099% *  2.0305% (0.90   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    VAL   41  13.59 +/- 0.77   0.055% *  1.8129% (0.80   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    VAL   41  14.25 +/- 0.27   0.034% *  2.2590% (1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   41  12.47 +/- 1.59   0.092% *  0.7723% (0.34   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    VAL   41  16.76 +/- 0.29   0.013% *  2.1417% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  14.06 +/- 0.36   0.037% *  0.6988% (0.31   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   41  20.21 +/- 1.12   0.004% *  2.1849% (0.97   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  15.79 +/- 0.51   0.019% *  0.3965% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  21.44 +/- 0.95   0.003% *  1.1020% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 7 structures by 0.07 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.823, support = 1.44, residual support = 8.11:
          QB    ALA   34 - HN    VAL   41   4.16 +/- 0.40  70.115% * 73.2168% (0.90   1.43   9.18) =  88.109%  kept
          QG2   THR   39 - HN    VAL   41   4.90 +/- 0.35  29.280% * 23.6487% (0.28   1.49   0.18) =  11.884%  kept
          HG3   LYS+  38 - HN    VAL   41   9.85 +/- 0.75   0.515% *  0.6010% (0.53   0.02   0.02) =   0.005%
          QG2   ILE   56 - HN    VAL   41  15.08 +/- 0.50   0.032% *  0.8295% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    VAL   41  17.34 +/- 0.75   0.014% *  1.1322% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  14.85 +/- 0.19   0.034% *  0.2543% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  18.47 +/- 0.83   0.010% *  0.3176% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.83, residual support = 21.1:
          QD2   LEU   40 - HN    VAL   41   1.91 +/- 0.35  99.762% * 97.8962% (0.92   4.83  21.05) =  99.999%  kept
          QD1   LEU   67 - HN    VAL   41   6.72 +/- 0.46   0.090% *  0.4155% (0.95   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   41   7.49 +/- 0.27   0.049% *  0.4353% (0.99   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    VAL   41   7.57 +/- 0.70   0.063% *  0.2311% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    VAL   41   7.96 +/- 0.13   0.033% *  0.2841% (0.65   0.02   2.75) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  15.38 +/- 0.50   0.001% *  0.4382% (1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  13.44 +/- 0.47   0.001% *  0.1498% (0.34   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  14.09 +/- 0.44   0.001% *  0.1498% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 71.8:
          QG1   VAL   41 - HN    VAL   41   2.11 +/- 0.28  99.098% * 98.1999% (1.00   4.52  71.80) =  99.998%  kept
          QG1   VAL   43 - HN    VAL   41   5.64 +/- 0.19   0.360% *  0.4112% (0.95   0.02   3.09) =   0.002%
          QD2   LEU  104 - HN    VAL   41   5.81 +/- 0.59   0.403% *  0.0860% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    VAL   41   7.00 +/- 0.41   0.082% *  0.1949% (0.45   0.02   0.23) =   0.000%
          HG    LEU   31 - HN    VAL   41   9.28 +/- 1.37   0.040% *  0.2637% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  10.76 +/- 0.81   0.007% *  0.3322% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  10.69 +/- 0.53   0.007% *  0.1342% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  14.18 +/- 0.46   0.001% *  0.2812% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  13.54 +/- 0.36   0.002% *  0.0968% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.693, support = 4.13, residual support = 64.5:
          QG2   VAL   41 - HN    VAL   41   3.61 +/- 0.18  69.733% * 66.8318% (0.73   4.38  71.80) =  83.380%  kept
          QD2   LEU   98 - HN    VAL   41   4.31 +/- 0.60  29.004% * 32.0192% (0.53   2.89  27.91) =  16.615%  kept
          QD1   LEU   73 - HN    VAL   41   7.90 +/- 0.55   0.701% *  0.1885% (0.45   0.02   0.23) =   0.002%
          QD2   LEU   63 - HN    VAL   41   9.60 +/- 1.03   0.274% *  0.4122% (0.98   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    VAL   41   9.36 +/- 0.57   0.259% *  0.1885% (0.45   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   41  14.36 +/- 0.62   0.019% *  0.0736% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    VAL   41  18.54 +/- 1.36   0.004% *  0.2212% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  17.09 +/- 0.85   0.006% *  0.0649% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.175, support = 2.74, residual support = 2.74:
          QG2   VAL   70 - HN    VAL   41   3.89 +/- 0.19  99.560% * 98.4606% (0.18   2.74   2.74) =  99.993%  kept
          QG2   THR  118 - HN    VAL   41   9.74 +/- 0.54   0.440% *  1.5394% (0.38   0.02   0.02) =   0.007%
    Distance limit 5.17 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 1.5, residual support = 32.8:
          HA    VAL   70 - HN    LEU   40   3.35 +/- 0.31  98.332% * 90.5299% (0.28   1.50  32.80) =  99.925%  kept
          HB2   SER   37 - HN    LEU   40   7.03 +/- 0.80   1.501% *  4.0076% (0.92   0.02   0.02) =   0.068%
          HA1   GLY   16 - HN    LEU   40  10.30 +/- 1.22   0.165% *  4.2554% (0.98   0.02   0.02) =   0.008%
          HA    GLN  116 - HN    LEU   40  20.00 +/- 0.53   0.002% *  1.2071% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.99, residual support = 24.5:
          HB    THR   39 - HN    LEU   40   3.63 +/- 0.18  96.358% * 95.0674% (0.41   4.00  24.53) =  99.986%  kept
          HB3   SER   37 - HN    LEU   40   6.48 +/- 0.57   3.521% *  0.3219% (0.28   0.02   0.02) =   0.012%
          HA    GLN   30 - HN    LEU   40  11.73 +/- 0.42   0.088% *  1.0951% (0.95   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   40  15.30 +/- 1.83   0.030% *  0.5190% (0.45   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  23.23 +/- 0.85   0.002% *  0.6554% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  28.40 +/- 0.60   0.000% *  1.1347% (0.98   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  29.10 +/- 0.84   0.000% *  0.8847% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  28.15 +/- 0.68   0.000% *  0.3219% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.81 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 = 0.566, support = 1.41, residual support = 15.5:
          QE    LYS+  99 - HN    LEU   40   2.63 +/- 0.81  99.466% * 92.2417% (0.57   1.41  15.55) =  99.993%  kept
          HB2   PHE   97 - HN    LEU   40   9.89 +/- 0.27   0.133% *  2.2352% (0.97   0.02   0.94) =   0.003%
          QE    LYS+  38 - HN    LEU   40   9.26 +/- 0.91   0.339% *  0.7149% (0.31   0.02   0.02) =   0.003%
          HB3   TRP   27 - HN    LEU   40  14.93 +/- 0.61   0.012% *  2.2703% (0.98   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    LEU   40  15.11 +/- 0.99   0.011% *  1.3113% (0.57   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   40  12.96 +/- 0.47   0.031% *  0.3574% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU   40  15.75 +/- 0.47   0.008% *  0.8693% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.08, residual support = 108.9:
      O   HB2   LEU   40 - HN    LEU   40   2.38 +/- 0.23  99.990% * 98.9141% (0.97   5.08 108.93) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.67 +/- 0.19   0.003% *  0.3727% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  14.75 +/- 1.67   0.002% *  0.2612% (0.65   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  13.71 +/- 1.02   0.004% *  0.0899% (0.22   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  21.86 +/- 2.52   0.000% *  0.1810% (0.45   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  26.45 +/- 0.41   0.000% *  0.1810% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.64, support = 5.04, residual support = 108.9:
      O   HB3   LEU   40 - HN    LEU   40   2.68 +/- 0.20  93.062% * 35.4679% (0.61   4.95 108.93) =  89.270%  kept
          HG    LEU   40 - HN    LEU   40   4.34 +/- 0.21   6.262% * 63.3458% (0.92   5.81 108.93) =  10.728%  kept
          HG    LEU   67 - HN    LEU   40   8.21 +/- 1.06   0.179% *  0.2316% (0.98   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40   6.78 +/- 0.67   0.443% *  0.0365% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40  11.14 +/- 1.38   0.027% *  0.1059% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  12.14 +/- 0.68   0.012% *  0.1338% (0.57   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  12.55 +/- 0.86   0.011% *  0.0657% (0.28   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  15.40 +/- 0.49   0.003% *  0.1974% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  17.98 +/- 0.51   0.001% *  0.2181% (0.92   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  20.29 +/- 0.88   0.001% *  0.1974% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.278, support = 3.93, residual support = 24.5:
          QG2   THR   39 - HN    LEU   40   2.03 +/- 0.36  98.453% * 93.7495% (0.28   3.93  24.53) =  99.976%  kept
          QB    ALA   34 - HN    LEU   40   4.78 +/- 0.21   1.243% *  1.5396% (0.90   0.02   0.02) =   0.021%
          HG3   LYS+  38 - HN    LEU   40   8.53 +/- 0.81   0.303% *  0.9032% (0.53   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    LEU   40  17.29 +/- 0.48   0.000% *  1.2466% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LEU   40  19.33 +/- 0.71   0.000% *  1.7016% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  17.91 +/- 0.22   0.000% *  0.3822% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  21.53 +/- 0.63   0.000% *  0.4773% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.834, support = 1.5, residual support = 32.8:
          QG1   VAL   70 - HN    LEU   40   3.47 +/- 0.66  91.337% * 94.1973% (0.84   1.50  32.80) =  99.855%  kept
          QD1   LEU   71 - HN    LEU   40   6.65 +/- 0.94   7.826% *  1.4739% (0.98   0.02   0.02) =   0.134%
          HB3   LEU  104 - HN    LEU   40   8.69 +/- 0.53   0.487% *  1.3881% (0.92   0.02   0.02) =   0.008%
          QG1   VAL   18 - HN    LEU   40  11.40 +/- 1.20   0.145% *  1.0919% (0.73   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    LEU   40  12.35 +/- 0.77   0.061% *  1.4739% (0.98   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU   40  10.82 +/- 0.64   0.144% *  0.3749% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 2 structures by 0.08 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 5.16, residual support = 108.8:
          QD2   LEU   40 - HN    LEU   40   4.13 +/- 0.14  87.086% * 96.6415% (0.53   5.16 108.93) =  99.922%  kept
          QD1   LEU   67 - HN    LEU   40   6.32 +/- 0.59   7.900% *  0.4027% (0.57   0.02   0.02) =   0.038%
          QD2   LEU   71 - HN    LEU   40   6.87 +/- 0.32   4.346% *  0.6973% (0.98   0.02   0.02) =   0.036%
          QD1   ILE  103 - HN    LEU   40  10.96 +/- 0.70   0.276% *  0.6567% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    LEU   40  10.54 +/- 0.23   0.323% *  0.4886% (0.69   0.02   0.02) =   0.002%
          QG2   ILE  119 - HN    LEU   40  14.36 +/- 0.49   0.051% *  0.5436% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   40  17.33 +/- 0.57   0.016% *  0.5696% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.94, residual support = 32.8:
          QG2   VAL   70 - HN    LEU   40   3.13 +/- 0.41 100.000% *100.0000% (0.57   5.94  32.80) = 100.000%  kept
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.277, support = 1.67, residual support = 5.67:
          HA    ALA   34 - HN    THR   39   3.51 +/- 0.41  97.522% * 18.7261% (0.22   1.65   6.24) =  90.641%  kept
          HA    GLU-  36 - HN    THR   39   6.67 +/- 0.23   2.426% * 77.7205% (0.80   1.90   0.17) =   9.358%  kept
          HA    ASN   28 - HN    THR   39  13.03 +/- 0.43   0.046% *  0.3838% (0.38   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    THR   39  21.20 +/- 0.76   0.003% *  0.9868% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  21.61 +/- 0.68   0.002% *  0.3488% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  27.17 +/- 0.62   0.001% *  0.9170% (0.90   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  29.56 +/- 0.74   0.000% *  0.9170% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.857, support = 2.85, residual support = 6.84:
          HA    SER   37 - HN    THR   39   4.21 +/- 0.81  81.639% * 52.3818% (0.90   2.76   3.45) =  83.923%  kept
          HA    LEU   40 - HN    THR   39   5.57 +/- 0.40  17.946% * 45.6451% (0.65   3.33  24.53) =  16.075%  kept
          HA    GLU-  15 - HN    THR   39  12.49 +/- 1.49   0.133% *  0.3540% (0.84   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   39  11.16 +/- 0.48   0.220% *  0.1446% (0.34   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   39  15.53 +/- 0.95   0.029% *  0.3801% (0.90   0.02   0.02) =   0.000%
          HA    SER   13 - HN    THR   39  16.59 +/- 2.31   0.028% *  0.3540% (0.84   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.56 +/- 0.60   0.002% *  0.4010% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  23.13 +/- 0.67   0.003% *  0.3394% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.382, support = 3.55, residual support = 30.9:
      O   HB    THR   39 - HN    THR   39   2.51 +/- 0.27  58.501% * 69.3682% (0.41   3.90  38.48) =  78.255%  kept
          HB3   SER   37 - HN    THR   39   2.86 +/- 0.99  41.475% * 27.1879% (0.28   2.26   3.45) =  21.745%  kept
          HA    GLN   30 - HN    THR   39  10.14 +/- 0.37   0.021% *  0.8179% (0.95   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  15.65 +/- 2.63   0.003% *  0.3877% (0.45   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  26.28 +/- 1.06   0.000% *  0.4895% (0.57   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  29.21 +/- 0.79   0.000% *  0.6608% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  31.49 +/- 0.93   0.000% *  0.8475% (0.98   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  29.85 +/- 0.89   0.000% *  0.2404% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.667, support = 4.06, residual support = 29.4:
          QG2   THR   39 - HN    THR   39   3.48 +/- 0.41  64.584% * 20.7418% (0.49   3.75  38.48) =  53.133%  kept
          HG3   LYS+  38 - HN    THR   39   4.81 +/- 0.35  11.384% * 56.0200% (0.76   6.45  30.23) =  25.294%  kept
          QB    ALA   34 - HN    THR   39   4.18 +/- 0.22  23.987% * 22.6757% (1.00   2.00   6.24) =  21.574%  kept
          HG13  ILE   19 - HN    THR   39  12.19 +/- 0.88   0.041% *  0.0450% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  19.11 +/- 0.69   0.003% *  0.1971% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  20.16 +/- 0.73   0.002% *  0.2098% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  23.50 +/- 0.93   0.001% *  0.1106% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 6.07, residual support = 214.6:
      O   HA    LYS+  38 - HN    LYS+  38   2.25 +/- 0.15  99.175% * 99.2572% (0.80   6.07 214.56) =  99.998%  kept
          HA    GLU- 100 - HN    LYS+  38   5.41 +/- 1.26   0.824% *  0.2312% (0.57   0.02   0.02) =   0.002%
          HA    VAL   24 - HN    LYS+  38  17.56 +/- 0.38   0.001% *  0.1136% (0.28   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  27.24 +/- 0.49   0.000% *  0.1831% (0.45   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  28.61 +/- 0.96   0.000% *  0.2149% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 5.63, residual support = 214.6:
      O   HB2   LYS+  38 - HN    LYS+  38   3.63 +/- 0.22  99.821% * 99.1614% (1.00   5.63 214.56) = 100.000%  kept
          HB    VAL   70 - HN    LYS+  38  11.76 +/- 0.60   0.090% *  0.0697% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  38  14.79 +/- 0.41   0.023% *  0.2557% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  38  13.26 +/- 0.38   0.044% *  0.1201% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  15.63 +/- 1.24   0.017% *  0.0878% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  19.41 +/- 0.50   0.004% *  0.1201% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  32.57 +/- 0.52   0.000% *  0.1853% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 214.5:
      O   HB3   LYS+  38 - HN    LYS+  38   4.04 +/- 0.11  94.425% * 97.9178% (0.90   5.20 214.56) =  99.994%  kept
          QB    LYS+  33 - HN    LYS+  38   6.63 +/- 0.43   5.259% *  0.0830% (0.20   0.02   0.02) =   0.005%
          HB3   GLN   30 - HN    LYS+  38  10.72 +/- 0.42   0.281% *  0.4158% (0.99   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  38  16.13 +/- 0.66   0.025% *  0.1431% (0.34   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  26.42 +/- 1.25   0.001% *  0.4158% (0.99   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  22.32 +/- 3.54   0.005% *  0.0934% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  26.58 +/- 0.53   0.001% *  0.3763% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  26.08 +/- 0.47   0.001% *  0.3206% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  27.30 +/- 0.64   0.001% *  0.1295% (0.31   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  32.38 +/- 0.42   0.000% *  0.1046% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 214.5:
          HG2   LYS+  38 - HN    LYS+  38   3.04 +/- 0.11  98.939% * 98.4019% (0.65   5.85 214.56) =  99.997%  kept
          HG2   LYS+  99 - HN    LYS+  38   6.65 +/- 0.58   0.978% *  0.2736% (0.53   0.02   0.02) =   0.003%
          HB2   LEU   31 - HN    LYS+  38  10.07 +/- 0.37   0.079% *  0.1158% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  19.96 +/- 0.42   0.001% *  0.4919% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  18.73 +/- 0.66   0.002% *  0.0802% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  28.66 +/- 0.71   0.000% *  0.4919% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  27.37 +/- 0.89   0.000% *  0.1446% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 30.2:
          HB2   LYS+  38 - HN    THR   39   3.50 +/- 0.37  99.649% * 99.1733% (1.00   5.71  30.23) = 100.000%  kept
          HB    VAL   70 - HN    THR   39   9.42 +/- 0.70   0.285% *  0.0687% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    THR   39  15.80 +/- 0.53   0.013% *  0.2520% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    THR   39  14.22 +/- 0.35   0.024% *  0.1184% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    THR   39  14.11 +/- 1.10   0.026% *  0.0865% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    THR   39  20.38 +/- 0.57   0.003% *  0.1184% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    THR   39  32.22 +/- 0.69   0.000% *  0.1826% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.42, residual support = 25.9:
      O   HB3   SER   37 - HN    SER   37   2.58 +/- 0.25  97.382% * 97.1884% (0.99   3.42  25.86) =  99.985%  kept
          HB    THR   39 - HN    SER   37   5.01 +/- 0.50   2.496% *  0.5687% (0.99   0.02   3.45) =   0.015%
          HA    GLN   30 - HN    SER   37   8.22 +/- 0.39   0.109% *  0.1136% (0.20   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  15.89 +/- 2.88   0.012% *  0.5624% (0.98   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  23.05 +/- 0.61   0.000% *  0.4167% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  28.06 +/- 0.71   0.000% *  0.4385% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  30.14 +/- 1.05   0.000% *  0.5687% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  32.83 +/- 0.75   0.000% *  0.1431% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.7, residual support = 19.1:
          QB    GLU-  36 - HN    SER   37   3.30 +/- 0.26  99.491% * 98.2980% (1.00   3.70  19.11) =  99.999%  kept
          HG3   GLU- 100 - HN    SER   37   8.49 +/- 0.96   0.426% *  0.0929% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    SER   37  11.66 +/- 0.43   0.058% *  0.4603% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.43 +/- 0.37   0.025% *  0.2583% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  22.70 +/- 0.26   0.001% *  0.5260% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  32.70 +/- 0.54   0.000% *  0.3645% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.12, residual support = 8.4:
          HG2   LYS+  38 - HN    SER   37   4.53 +/- 0.04  97.521% * 97.0689% (0.38   4.12   8.40) =  99.991%  kept
          HG2   LYS+  99 - HN    SER   37   8.48 +/- 0.60   2.437% *  0.3488% (0.28   0.02   0.02) =   0.009%
          QG2   THR   77 - HN    SER   37  20.06 +/- 0.47   0.013% *  1.2434% (0.99   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    SER   37  17.84 +/- 0.58   0.027% *  0.4279% (0.34   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  28.83 +/- 0.75   0.001% *  0.9110% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 46.1:
          HB2   ASN   35 - HN    GLU-  36   3.17 +/- 0.10  97.291% * 97.9497% (0.65   6.05  46.13) =  99.988%  kept
          QE    LYS+  33 - HN    GLU-  36   6.25 +/- 0.80   2.669% *  0.4340% (0.87   0.02   0.02) =   0.012%
          HB2   ASN   28 - HN    GLU-  36  11.72 +/- 0.24   0.039% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  20.90 +/- 1.15   0.001% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  28.91 +/- 1.02   0.000% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  26.78 +/- 0.38   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 82.6:
          HG2   GLU-  36 - HN    GLU-  36   3.34 +/- 0.56  99.982% * 99.4347% (0.97   4.85  82.59) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  15.18 +/- 0.82   0.017% *  0.3403% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  24.53 +/- 0.61   0.001% *  0.1595% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  31.51 +/- 0.49   0.000% *  0.0656% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 82.6:
      O   QB    GLU-  36 - HN    GLU-  36   2.09 +/- 0.11  99.977% * 99.1708% (0.90   7.31  82.59) = 100.000%  kept
          HB3   GLU-  29 - HN    GLU-  36  10.18 +/- 0.26   0.008% *  0.1834% (0.61   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLU-  36   9.75 +/- 0.85   0.011% *  0.1135% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.71 +/- 0.16   0.003% *  0.0754% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  21.50 +/- 0.33   0.000% *  0.2860% (0.95   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.38 +/- 0.24   0.000% *  0.0467% (0.15   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  31.87 +/- 0.58   0.000% *  0.1243% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 4.85, residual support = 82.6:
          HG3   GLU-  36 - HN    GLU-  36   3.91 +/- 0.13  99.677% * 97.3215% (0.65   4.85  82.59) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  11.93 +/- 1.72   0.212% *  0.2782% (0.45   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    GLU-  36  14.98 +/- 2.13   0.052% *  0.1915% (0.31   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  36  20.07 +/- 3.48   0.012% *  0.5564% (0.90   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  15.12 +/- 0.45   0.031% *  0.1547% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  18.73 +/- 0.66   0.009% *  0.2116% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  21.82 +/- 0.37   0.003% *  0.3020% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  23.82 +/- 0.43   0.002% *  0.3513% (0.57   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  28.20 +/- 1.29   0.001% *  0.4014% (0.65   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  28.52 +/- 0.72   0.001% *  0.1228% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  32.59 +/- 0.85   0.000% *  0.1087% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.218, support = 0.02, residual support = 0.02:
          HA2   GLY  101 - HD22  ASN   35   6.02 +/- 1.59  97.963% * 14.8773% (0.20   0.02   0.02) =  94.386%  kept
          HB2   TRP   27 - HD22  ASN   35  13.53 +/- 1.29   1.996% * 42.5614% (0.57   0.02   0.02) =   5.503%  kept
          HD2   PRO   93 - HD22  ASN   35  24.94 +/- 1.19   0.040% * 42.5614% (0.57   0.02   0.02) =   0.112%
    Distance limit 5.14 A violated in 14 structures by 1.16 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.6, residual support = 54.4:
      O   HB2   ASN   35 - HD22  ASN   35   3.64 +/- 0.19  99.557% * 97.2883% (0.76   3.60  54.36) =  99.997%  kept
          HB2   ASN   28 - HD22  ASN   35  10.94 +/- 1.28   0.261% *  0.6130% (0.87   0.02   0.02) =   0.002%
          QE    LYS+  33 - HD22  ASN   35  10.87 +/- 0.77   0.178% *  0.5401% (0.76   0.02   0.37) =   0.001%
          QE    LYS+  65 - HD22  ASN   35  23.03 +/- 1.41   0.002% *  0.6820% (0.96   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  25.33 +/- 1.56   0.001% *  0.7004% (0.99   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  25.44 +/- 1.33   0.001% *  0.1762% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 0.764, support = 1.79, residual support = 8.38:
          HA    GLN   32 - HD21  ASN   35   3.50 +/- 0.37  98.621% * 91.4591% (0.76   1.79   8.38) =  99.985%  kept
          HA    LYS+  33 - HD21  ASN   35   7.61 +/- 0.40   1.006% *  0.9174% (0.69   0.02   0.37) =   0.010%
          HA    GLU-  29 - HD21  ASN   35   9.15 +/- 0.76   0.327% *  1.1155% (0.83   0.02   0.02) =   0.004%
          HA    VAL   70 - HD21  ASN   35  13.29 +/- 0.96   0.036% *  0.5012% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  17.15 +/- 1.23   0.007% *  1.1584% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  24.28 +/- 1.53   0.001% *  1.2328% (0.92   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  25.95 +/- 1.31   0.001% *  1.2888% (0.96   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  28.84 +/- 1.50   0.000% *  1.0694% (0.80   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  29.26 +/- 1.39   0.000% *  0.7561% (0.57   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  27.70 +/- 1.15   0.000% *  0.5012% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.6, residual support = 54.4:
      O   HB2   ASN   35 - HD21  ASN   35   2.52 +/- 0.41  99.838% * 96.3320% (0.61   3.60  54.36) =  99.999%  kept
          QE    LYS+  33 - HD21  ASN   35   9.64 +/- 0.86   0.084% *  0.7907% (0.90   0.02   0.37) =   0.001%
          HB2   ASN   28 - HD21  ASN   35   9.90 +/- 1.11   0.077% *  0.8509% (0.96   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD21  ASN   35  22.49 +/- 1.58   0.000% *  0.8817% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  25.34 +/- 1.51   0.000% *  0.8139% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  24.94 +/- 1.30   0.000% *  0.3309% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.646, support = 4.26, residual support = 44.8:
      O   HA    GLN   32 - HN    GLN   32   2.76 +/- 0.02  88.634% * 95.3934% (0.65   4.26  44.89) =  99.916%  kept
          HA    GLU-  29 - HN    GLN   32   4.01 +/- 0.07   9.372% *  0.6389% (0.92   0.02   0.02) =   0.071%
          HA    LYS+  33 - HN    GLN   32   5.20 +/- 0.07   1.979% *  0.5542% (0.80   0.02  14.34) =   0.013%
          HA    VAL   70 - HN    GLN   32  12.78 +/- 0.36   0.009% *  0.3369% (0.49   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN   32  14.29 +/- 0.39   0.005% *  0.6547% (0.95   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  21.83 +/- 0.95   0.000% *  0.6784% (0.98   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  22.76 +/- 0.53   0.000% *  0.6207% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  27.41 +/- 0.94   0.000% *  0.4754% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.51 +/- 0.66   0.000% *  0.3103% (0.45   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  28.06 +/- 0.39   0.000% *  0.3369% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 5.98, residual support = 157.6:
      O   HA    LYS+  33 - HN    LYS+  33   2.79 +/- 0.03  97.059% * 98.1272% (0.87   5.98 157.63) =  99.992%  kept
          HA    GLU-  29 - HN    LYS+  33   5.15 +/- 0.34   2.608% *  0.2745% (0.73   0.02   0.02) =   0.008%
          HB2   SER   37 - HN    LYS+  33   7.70 +/- 0.82   0.293% *  0.1840% (0.49   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LYS+  33  11.11 +/- 0.39   0.025% *  0.3781% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  13.25 +/- 0.39   0.009% *  0.2597% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  15.01 +/- 1.16   0.005% *  0.0748% (0.20   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  23.90 +/- 0.81   0.000% *  0.2293% (0.61   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  27.75 +/- 0.40   0.000% *  0.3781% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  23.39 +/- 0.56   0.000% *  0.0943% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.744, support = 2.0, residual support = 10.0:
          HA    THR   26 - HN    GLU-  29   3.00 +/- 0.06  71.643% * 47.2857% (0.95   0.90   2.06) =  73.785%  kept
      O   HA    ASN   28 - HN    GLU-  29   3.59 +/- 0.02  24.329% * 49.4321% (0.18   5.09  32.51) =  26.193%  kept
          HA    GLU-  25 - HN    GLU-  29   4.87 +/- 0.16   3.972% *  0.2468% (0.22   0.02   0.02) =   0.021%
          HA    ILE   19 - HN    GLU-  29  11.38 +/- 0.31   0.024% *  0.4557% (0.41   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU-  29  11.15 +/- 0.20   0.027% *  0.3421% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  15.49 +/- 1.83   0.005% *  0.5396% (0.49   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  23.25 +/- 0.56   0.000% *  0.7615% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  29.00 +/- 0.88   0.000% *  0.7171% (0.65   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  25.39 +/- 0.53   0.000% *  0.2194% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 3.88, residual support = 102.4:
      O   HB2   ASN   28 - HD22  ASN   28   3.63 +/- 0.05  99.483% * 97.9737% (0.95   3.88 102.44) =  99.998%  kept
          HB2   ASN   35 - HD22  ASN   28   9.13 +/- 0.58   0.425% *  0.3450% (0.65   0.02   0.02) =   0.002%
          QE    LYS+  33 - HD22  ASN   28  12.36 +/- 0.90   0.074% *  0.4626% (0.87   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   28  17.59 +/- 0.94   0.008% *  0.5045% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  17.77 +/- 0.44   0.007% *  0.1819% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  22.49 +/- 1.12   0.002% *  0.5322% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 4.44, residual support = 157.9:
      O   HG2   GLN   30 - HE21  GLN   30   3.13 +/- 0.44  99.353% * 99.2547% (0.61   4.44 157.94) =  99.996%  kept
          HB3   ASN   28 - HE21  GLN   30   7.51 +/- 1.28   0.645% *  0.6161% (0.84   0.02   6.85) =   0.004%
          QE    LYS+ 121 - HE21  GLN   30  20.81 +/- 0.97   0.002% *  0.1292% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 4.14, residual support = 157.9:
      O   HG2   GLN   30 - HE22  GLN   30   3.64 +/- 0.47  99.048% * 99.2018% (0.61   4.14 157.94) =  99.994%  kept
          HB3   ASN   28 - HE22  GLN   30   8.15 +/- 0.55   0.949% *  0.6599% (0.84   0.02   6.85) =   0.006%
          QE    LYS+ 121 - HE22  GLN   30  20.87 +/- 0.89   0.004% *  0.1384% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 3.85, residual support = 102.4:
      O   HB3   ASN   28 - HD22  ASN   28   4.15 +/- 0.01  99.332% * 98.7983% (0.90   3.85 102.44) =  99.996%  kept
          HG2   GLN   30 - HD22  ASN   28   9.73 +/- 0.61   0.661% *  0.5712% (1.00   0.02   6.85) =   0.004%
          QE    LYS+ 121 - HD22  ASN   28  21.74 +/- 1.04   0.005% *  0.4157% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  23.91 +/- 0.88   0.003% *  0.2148% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.71, residual support = 13.0:
          QG2   VAL   24 - HD22  ASN   28   3.92 +/- 0.07  99.978% * 97.9875% (0.97   1.71  13.03) = 100.000%  kept
          QG1   VAL  107 - HD22  ASN   28  16.56 +/- 0.46   0.018% *  0.4467% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HD22  ASN   28  22.09 +/- 0.68   0.003% *  1.0323% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  27.61 +/- 0.78   0.001% *  0.5336% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 6.07, residual support = 83.7:
      O   HA    GLU-  29 - HN    GLU-  29   2.73 +/- 0.01  99.735% * 97.8842% (0.84   6.07  83.75) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.13 +/- 0.33   0.072% *  0.3653% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.86 +/- 0.18   0.176% *  0.0596% (0.15   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  14.04 +/- 0.29   0.005% *  0.3092% (0.80   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  15.58 +/- 0.30   0.003% *  0.3785% (0.98   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.12 +/- 0.95   0.006% *  0.1449% (0.38   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  17.94 +/- 0.66   0.001% *  0.2804% (0.73   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  19.51 +/- 0.58   0.001% *  0.1317% (0.34   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  29.10 +/- 0.44   0.000% *  0.3785% (0.98   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  24.50 +/- 0.84   0.000% *  0.0676% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 5.63, residual support = 32.5:
          HB2   ASN   28 - HN    GLU-  29   3.23 +/- 0.08  99.511% * 98.6201% (0.97   5.63  32.51) =  99.999%  kept
          QE    LYS+  33 - HN    GLU-  29   8.83 +/- 1.11   0.340% *  0.3255% (0.90   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    GLU-  29   9.74 +/- 0.55   0.143% *  0.2201% (0.61   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  20.28 +/- 1.44   0.002% *  0.3630% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  18.20 +/- 0.44   0.003% *  0.1362% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  21.27 +/- 0.75   0.001% *  0.3350% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.673, support = 5.48, residual support = 31.8:
          HB3   ASN   28 - HN    GLU-  29   3.06 +/- 0.14  89.075% * 47.6302% (0.65   5.61  32.51) =  88.202%  kept
          HG2   GLN   30 - HN    GLU-  29   4.61 +/- 0.61  10.924% * 51.9514% (0.87   4.56  26.05) =  11.798%  kept
          QE    LYS+ 121 - HN    GLU-  29  23.87 +/- 1.06   0.000% *  0.2485% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  24.39 +/- 0.83   0.000% *  0.1699% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 5.55, residual support = 83.7:
          HG2   GLU-  29 - HN    GLU-  29   3.19 +/- 0.27  98.533% * 97.8178% (0.57   5.55  83.75) =  99.997%  kept
          QG    GLN   32 - HN    GLU-  29   7.04 +/- 0.86   1.458% *  0.1730% (0.28   0.02   0.02) =   0.003%
          HB3   PHE   45 - HN    GLU-  29  16.22 +/- 0.19   0.006% *  0.6168% (0.99   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  21.75 +/- 0.74   0.001% *  0.5198% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  25.09 +/- 0.52   0.000% *  0.6168% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    GLU-  29  22.14 +/- 0.87   0.001% *  0.2558% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.61, support = 3.37, residual support = 6.18:
          HA    ASN   28 - HN    GLN   30   4.15 +/- 0.05  54.570% * 47.2912% (0.45   4.00   6.85) =  68.578%  kept
          HA    THR   26 - HN    GLN   30   4.79 +/- 0.14  23.287% * 50.7423% (0.97   1.99   4.74) =  31.399%  kept
          HA1   GLY  101 - HN    LYS+  99   4.95 +/- 0.42  20.571% *  0.0290% (0.05   0.02   1.43) =   0.016%
          HA    ALA   34 - HN    GLN   30   8.83 +/- 0.26   0.603% *  0.3413% (0.65   0.02   0.79) =   0.005%
          HA    ILE   19 - HN    GLN   30   9.32 +/- 0.32   0.443% *  0.0814% (0.15   0.02  14.07) =   0.001%
          HA1   GLY  101 - HN    GLN   30  14.47 +/- 1.77   0.037% *  0.4407% (0.84   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LYS+  99   9.58 +/- 0.75   0.406% *  0.0224% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  13.88 +/- 0.59   0.040% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  22.25 +/- 0.56   0.002% *  0.1800% (0.34   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.73 +/- 0.50   0.002% *  0.2568% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  27.52 +/- 0.83   0.001% *  0.4991% (0.95   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.33 +/- 0.42   0.015% *  0.0169% (0.03   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.46 +/- 0.93   0.008% *  0.0328% (0.06   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  19.52 +/- 0.52   0.005% *  0.0335% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  17.98 +/- 0.32   0.008% *  0.0053% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.57 +/- 0.43   0.002% *  0.0118% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 0.998, support = 6.06, residual support = 26.0:
      O   HA    GLU-  29 - HN    GLN   30   3.60 +/- 0.01  96.271% * 97.8164% (1.00   6.06  26.05) =  99.993%  kept
          HA    LYS+  33 - HN    GLN   30   7.34 +/- 0.29   1.366% *  0.3169% (0.98   0.02   0.10) =   0.005%
          HA    GLN   32 - HN    GLN   30   7.04 +/- 0.12   1.719% *  0.1214% (0.38   0.02   1.05) =   0.002%
          HA    VAL   18 - HN    GLN   30  11.70 +/- 0.31   0.083% *  0.3205% (0.99   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  12.91 +/- 0.29   0.045% *  0.2471% (0.76   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  11.88 +/- 0.90   0.085% *  0.0499% (0.15   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.15 +/- 0.20   0.192% *  0.0162% (0.05   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  19.80 +/- 0.58   0.004% *  0.3121% (0.97   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  19.26 +/- 0.55   0.004% *  0.2092% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  13.50 +/- 0.56   0.036% *  0.0208% (0.06   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  11.72 +/- 0.64   0.085% *  0.0080% (0.02   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  15.91 +/- 0.36   0.013% *  0.0211% (0.07   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  11.95 +/- 1.00   0.080% *  0.0033% (0.01   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.80 +/- 0.49   0.009% *  0.0212% (0.07   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  27.22 +/- 0.40   0.001% *  0.2471% (0.76   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  25.52 +/- 0.74   0.001% *  0.1329% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  24.92 +/- 0.63   0.001% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  19.83 +/- 0.41   0.003% *  0.0162% (0.05   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  25.64 +/- 0.34   0.001% *  0.0137% (0.04   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  27.94 +/- 1.40   0.000% *  0.0205% (0.06   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  26.13 +/- 0.60   0.001% *  0.0047% (0.01   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  29.11 +/- 0.53   0.000% *  0.0087% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 6.45, residual support = 157.9:
      O   HA    GLN   30 - HN    GLN   30   2.85 +/- 0.01  99.796% * 98.6237% (0.92   6.45 157.94) = 100.000%  kept
          HB    THR   39 - HN    GLN   30  11.44 +/- 1.03   0.027% *  0.1484% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  10.92 +/- 0.68   0.034% *  0.1022% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  15.93 +/- 2.68   0.008% *  0.1611% (0.49   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99   9.21 +/- 0.40   0.091% *  0.0098% (0.03   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  19.06 +/- 0.44   0.001% *  0.2651% (0.80   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  11.07 +/- 0.93   0.033% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.63 +/- 0.45   0.006% *  0.0201% (0.06   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  21.50 +/- 0.71   0.001% *  0.1742% (0.53   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  26.63 +/- 0.64   0.000% *  0.3195% (0.97   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  23.06 +/- 1.02   0.000% *  0.1022% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.41 +/- 1.87   0.001% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.62 +/- 0.73   0.000% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.72 +/- 0.65   0.000% *  0.0210% (0.06   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  27.03 +/- 1.33   0.000% *  0.0174% (0.05   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  25.21 +/- 0.67   0.000% *  0.0067% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.998, support = 7.36, residual support = 157.9:
          HG2   GLN   30 - HN    GLN   30   2.41 +/- 0.58  97.484% * 99.4059% (1.00   7.36 157.94) =  99.994%  kept
          HB3   ASN   28 - HN    GLN   30   5.14 +/- 0.11   2.479% *  0.2427% (0.90   0.02   6.85) =   0.006%
          QE    LYS+ 121 - HN    LYS+  99  10.93 +/- 1.21   0.028% *  0.0129% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  22.17 +/- 1.10   0.000% *  0.1965% (0.73   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  16.25 +/- 0.60   0.002% *  0.0177% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  14.04 +/- 0.80   0.005% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  16.25 +/- 0.62   0.002% *  0.0159% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  22.03 +/- 0.81   0.000% *  0.1016% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.37, residual support = 157.9:
      O   HB3   GLN   30 - HN    GLN   30   2.65 +/- 0.15  95.737% * 96.1529% (0.69   6.37 157.94) =  99.989%  kept
          QB    LYS+  33 - HN    GLN   30   4.85 +/- 0.53   3.075% *  0.3189% (0.73   0.02   0.10) =   0.011%
          HB    ILE  103 - HN    LYS+  99   5.99 +/- 0.13   0.773% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   7.84 +/- 1.19   0.215% *  0.0250% (0.06   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   8.70 +/- 0.18   0.082% *  0.0259% (0.06   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.55 +/- 0.23   0.091% *  0.0175% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.18 +/- 0.77   0.003% *  0.3810% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  17.14 +/- 0.54   0.001% *  0.3939% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  18.49 +/- 0.31   0.001% *  0.3810% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.23 +/- 0.56   0.011% *  0.0210% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  18.44 +/- 0.64   0.001% *  0.2311% (0.53   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  18.95 +/- 0.44   0.001% *  0.2664% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  19.61 +/- 0.46   0.001% *  0.2138% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.72 +/- 0.45   0.006% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  21.13 +/- 1.90   0.000% *  0.2311% (0.53   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.04 +/- 0.38   0.000% *  0.4239% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  25.12 +/- 0.39   0.000% *  0.3517% (0.80   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  24.62 +/- 0.75   0.000% *  0.2487% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  24.62 +/- 0.62   0.000% *  0.1498% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  17.42 +/- 0.42   0.001% *  0.0140% (0.03   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.59 +/- 0.36   0.000% *  0.0278% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  20.94 +/- 0.65   0.000% *  0.0152% (0.03   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  25.73 +/- 0.86   0.000% *  0.0250% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  22.66 +/- 0.31   0.000% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  27.84 +/- 0.40   0.000% *  0.0231% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  27.07 +/- 0.47   0.000% *  0.0163% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.854, support = 3.84, residual support = 28.6:
          HG    LEU   31 - HN    GLN   30   5.19 +/- 0.41  18.834% * 70.9311% (0.80   5.35  43.56) =  56.753%  kept
          QD2   LEU   73 - HN    GLN   30   4.59 +/- 0.26  35.843% * 28.3919% (0.92   1.86   8.99) =  43.232%  kept
          QG1   VAL   41 - HN    LYS+  99   4.44 +/- 0.30  43.589% *  0.0054% (0.02   0.02   0.02) =   0.010%
          QG1   VAL   41 - HN    GLN   30   8.16 +/- 0.38   1.176% *  0.0825% (0.25   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    LYS+  99  10.61 +/- 0.31   0.227% *  0.0201% (0.06   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+  99  11.66 +/- 1.27   0.173% *  0.0174% (0.05   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  18.46 +/- 0.34   0.008% *  0.3302% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  11.89 +/- 0.63   0.121% *  0.0123% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  15.23 +/- 0.33   0.026% *  0.0217% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  23.94 +/- 0.56   0.002% *  0.1874% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 4.73:
          QG2   THR   26 - HN    GLN   30   4.12 +/- 0.08  93.693% * 94.2903% (0.73   2.00   4.74) =  99.992%  kept
          HB3   LEU   40 - HN    LYS+  99   6.97 +/- 0.83   5.764% *  0.0619% (0.05   0.02  15.55) =   0.004%
          HB2   LYS+  74 - HN    GLN   30  11.41 +/- 0.44   0.213% *  1.2283% (0.95   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    GLN   30  14.30 +/- 0.48   0.055% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    GLN   30  19.23 +/- 1.20   0.010% *  0.8400% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  99  12.56 +/- 1.17   0.144% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  24.27 +/- 1.24   0.002% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  20.83 +/- 0.64   0.006% *  0.2891% (0.22   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  23.69 +/- 0.39   0.003% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  16.49 +/- 0.44   0.023% *  0.0619% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  17.23 +/- 0.23   0.018% *  0.0807% (0.06   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  15.50 +/- 0.33   0.033% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  25.70 +/- 0.90   0.002% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.01 +/- 0.51   0.007% *  0.0552% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  16.94 +/- 0.64   0.020% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.80 +/- 0.64   0.008% *  0.0415% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.309, support = 6.44, residual support = 157.9:
      O   HB2   GLN   30 - HN    GLN   30   3.58 +/- 0.03  34.909% * 68.5194% (0.41   6.49 157.94) =  56.619%  kept
          HG3   GLN   30 - HN    GLN   30   3.08 +/- 0.73  63.897% * 28.6823% (0.18   6.38 157.94) =  43.381%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.30 +/- 0.17   1.142% *  0.0115% (0.02   0.02  40.05) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  13.95 +/- 1.97   0.021% *  0.2701% (0.53   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  16.80 +/- 1.29   0.004% *  0.1751% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  20.13 +/- 0.81   0.001% *  0.4954% (0.97   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  21.99 +/- 3.76   0.002% *  0.2906% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  14.00 +/- 0.50   0.010% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  23.95 +/- 0.83   0.000% *  0.3321% (0.65   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.34 +/- 0.55   0.000% *  0.3727% (0.73   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  25.02 +/- 0.50   0.000% *  0.2301% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  25.36 +/- 0.75   0.000% *  0.2301% (0.45   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  17.11 +/- 0.44   0.003% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  25.52 +/- 0.58   0.000% *  0.2110% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.97 +/- 0.33   0.001% *  0.0325% (0.06   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  18.05 +/- 0.37   0.002% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  16.17 +/- 0.55   0.004% *  0.0059% (0.01   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.47 +/- 2.01   0.001% *  0.0177% (0.03   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.97 +/- 0.36   0.000% *  0.0151% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.24 +/- 0.75   0.000% *  0.0151% (0.03   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.41 +/- 0.31   0.000% *  0.0245% (0.05   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.86 +/- 2.76   0.000% *  0.0191% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.933, support = 5.28, residual support = 26.0:
          HB3   GLU-  29 - HN    GLN   30   3.82 +/- 0.13  62.542% * 42.7119% (0.90   4.83  26.05) =  56.307%  kept
          HG3   GLU-  29 - HN    GLN   30   4.16 +/- 0.43  36.564% * 56.6901% (0.98   5.87  26.05) =  43.692%  kept
          QB    GLU-  36 - HN    GLN   30   9.00 +/- 0.30   0.366% *  0.1196% (0.61   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   30  13.54 +/- 0.17   0.030% *  0.1037% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99   8.99 +/- 0.71   0.400% *  0.0079% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  14.91 +/- 1.03   0.023% *  0.1196% (0.61   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  12.14 +/- 0.46   0.062% *  0.0079% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  25.21 +/- 0.57   0.001% *  0.1954% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.34 +/- 0.45   0.005% *  0.0116% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  18.66 +/- 0.60   0.004% *  0.0127% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  21.76 +/- 0.77   0.002% *  0.0068% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  28.11 +/- 0.52   0.000% *  0.0128% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.8, residual support = 83.7:
      O   HB2   GLU-  29 - HN    GLU-  29   2.53 +/- 0.13  99.993% * 98.0624% (0.76   5.80  83.75) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  15.19 +/- 0.73   0.002% *  0.3839% (0.87   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.62 +/- 0.31   0.003% *  0.1510% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  18.10 +/- 1.39   0.001% *  0.3544% (0.80   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  22.16 +/- 0.44   0.000% *  0.4386% (0.99   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  22.85 +/- 1.99   0.000% *  0.3839% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  25.38 +/- 0.64   0.000% *  0.1661% (0.38   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  22.08 +/- 0.62   0.000% *  0.0599% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.48, residual support = 83.7:
          HG3   GLU-  29 - HN    GLU-  29   2.02 +/- 0.28  95.089% * 99.0165% (0.97   6.48  83.75) =  99.990%  kept
      O   HB3   GLU-  29 - HN    GLU-  29   3.54 +/- 0.04   4.744% *  0.2050% (0.65   0.02  83.75) =   0.010%
          HB2   GLU-  25 - HN    GLU-  29   6.10 +/- 0.42   0.158% *  0.0429% (0.14   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  29  10.14 +/- 0.26   0.007% *  0.1081% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  12.72 +/- 0.24   0.002% *  0.0881% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.88 +/- 0.92   0.000% *  0.2748% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  24.81 +/- 0.58   0.000% *  0.2646% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.893, support = 3.76, residual support = 157.9:
          HB2   GLN   30 - HE21  GLN   30   3.35 +/- 0.41  55.047% * 45.7770% (0.80   3.90 157.94) =  51.726%  kept
      O   HG3   GLN   30 - HE21  GLN   30   3.48 +/- 0.43  44.740% * 52.5630% (0.99   3.62 157.94) =  48.273%  kept
          HB3   GLU-  25 - HE21  GLN   30   9.99 +/- 1.18   0.102% *  0.0905% (0.31   0.02   0.02) =   0.000%
          QB    GLU-  15 - HE21  GLN   30  11.14 +/- 1.30   0.058% *  0.1428% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   17 - HE21  GLN   30  11.94 +/- 1.19   0.039% *  0.1428% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  16.37 +/- 1.17   0.005% *  0.2544% (0.87   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  17.34 +/- 1.35   0.003% *  0.2544% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  17.70 +/- 1.16   0.003% *  0.0653% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  23.12 +/- 1.15   0.001% *  0.2349% (0.80   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  22.31 +/- 1.13   0.001% *  0.1661% (0.57   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  23.49 +/- 0.95   0.001% *  0.1428% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  24.56 +/- 1.00   0.000% *  0.1661% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.28, support = 1.83, residual support = 14.1:
          QG2   ILE   19 - HE21  GLN   30   2.97 +/- 0.50  81.310% * 21.6082% (0.18   1.50  14.07) =  55.495%  kept
          QD1   ILE   19 - HE21  GLN   30   3.91 +/- 0.63  18.605% * 75.7312% (0.41   2.24  14.07) =  44.503%  kept
          QD1   LEU   98 - HE21  GLN   30  11.04 +/- 1.06   0.044% *  1.4754% (0.90   0.02   0.02) =   0.002%
          QG2   THR   46 - HE21  GLN   30  11.33 +/- 0.76   0.035% *  0.2538% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE21  GLN   30  14.87 +/- 0.95   0.007% *  0.9314% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 0.217, support = 2.15, residual support = 14.1:
          QG2   ILE   19 - HE22  GLN   30   2.46 +/- 0.25  91.887% * 28.2123% (0.18   2.13  14.07) =  82.225%  kept
          QD1   ILE   19 - HE22  GLN   30   3.78 +/- 0.27   8.081% * 69.3469% (0.41   2.24  14.07) =  17.774%  kept
          QD1   LEU   98 - HE22  GLN   30  11.29 +/- 1.16   0.013% *  1.3535% (0.90   0.02   0.02) =   0.001%
          QG2   THR   46 - HE22  GLN   30  10.43 +/- 0.70   0.017% *  0.2329% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE22  GLN   30  15.24 +/- 1.14   0.002% *  0.8544% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.06 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 = 5.88, residual support = 45.2:
      O   HA    LEU   31 - HN    GLN   32   3.62 +/- 0.02  99.994% * 99.9383% (0.97   5.88  45.15) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.31 +/- 0.44   0.006% *  0.0617% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 4.56, residual support = 44.9:
          QG    GLN   32 - HN    GLN   32   3.47 +/- 0.58  99.928% * 98.9392% (0.99   4.56  44.89) = 100.000%  kept
          QG    GLU-  79 - HN    GLN   32  14.26 +/- 0.43   0.027% *  0.3509% (0.80   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN   32  13.94 +/- 0.92   0.034% *  0.0976% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  17.72 +/- 0.39   0.007% *  0.1218% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  20.95 +/- 0.69   0.003% *  0.3010% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  25.35 +/- 0.36   0.001% *  0.1218% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  29.84 +/- 0.49   0.000% *  0.0676% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.45, residual support = 44.9:
      O   QB    GLN   32 - HN    GLN   32   2.15 +/- 0.13  99.994% * 98.6323% (0.90   4.45  44.89) = 100.000%  kept
          HB    VAL   24 - HN    GLN   32  12.04 +/- 0.19   0.003% *  0.4675% (0.95   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   32  13.42 +/- 0.82   0.002% *  0.4844% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  19.10 +/- 0.69   0.000% *  0.3395% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  16.45 +/- 0.35   0.001% *  0.0763% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.565, support = 3.22, residual support = 8.19:
          QB    LYS+  33 - HN    GLN   32   4.43 +/- 0.23  75.674% * 26.2081% (0.20   4.10  14.34) =  53.770%  kept
          HB3   GLN   30 - HN    GLN   32   5.41 +/- 0.17  24.092% * 70.7715% (0.99   2.21   1.05) =  46.227%  kept
          HB3   LYS+  38 - HN    GLN   32  12.20 +/- 0.46   0.180% *  0.5799% (0.90   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    GLN   32  16.47 +/- 0.59   0.029% *  0.2206% (0.34   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  22.74 +/- 1.82   0.005% *  0.6409% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  20.96 +/- 0.41   0.007% *  0.1996% (0.31   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  24.92 +/- 0.39   0.002% *  0.4942% (0.76   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  23.13 +/- 3.64   0.007% *  0.1440% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  26.77 +/- 0.48   0.002% *  0.5799% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  27.39 +/- 0.49   0.001% *  0.1612% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.89, residual support = 45.2:
          HB2   LEU   31 - HN    GLN   32   2.75 +/- 0.16  99.930% * 97.3544% (0.98   5.89  45.15) = 100.000%  kept
          HG2   LYS+  38 - HN    GLN   32  10.81 +/- 0.36   0.029% *  0.2047% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    GLN   32  11.36 +/- 0.99   0.024% *  0.2183% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  13.10 +/- 0.57   0.010% *  0.2450% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  16.29 +/- 0.70   0.003% *  0.3026% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  17.07 +/- 0.50   0.002% *  0.3367% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  19.45 +/- 0.54   0.001% *  0.3256% (0.97   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  18.37 +/- 0.49   0.001% *  0.1775% (0.53   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  22.40 +/- 0.84   0.000% *  0.1642% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  24.79 +/- 0.89   0.000% *  0.2579% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  26.95 +/- 0.97   0.000% *  0.3192% (0.95   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  24.07 +/- 0.85   0.000% *  0.0938% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 5.89, residual support = 45.2:
          HB3   LEU   31 - HN    GLN   32   3.25 +/- 0.14  99.872% * 98.9059% (0.98   5.89  45.15) = 100.000%  kept
          QG1   VAL   24 - HN    GLN   32  10.37 +/- 0.14   0.097% *  0.1941% (0.57   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    GLN   32  13.00 +/- 0.29   0.026% *  0.1804% (0.53   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  17.80 +/- 0.31   0.004% *  0.0855% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  24.04 +/- 0.55   0.001% *  0.3308% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  30.09 +/- 0.86   0.000% *  0.2355% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  24.65 +/- 0.59   0.001% *  0.0678% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.61, residual support = 14.3:
          QG    GLN   32 - HN    LYS+  33   3.72 +/- 0.47  99.962% * 98.7162% (0.84   4.61  14.34) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  15.49 +/- 0.37   0.026% *  0.2700% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  18.86 +/- 0.36   0.007% *  0.2700% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  21.42 +/- 0.72   0.003% *  0.4738% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  25.37 +/- 0.41   0.001% *  0.2700% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 14.3:
          QB    GLN   32 - HN    LYS+  33   2.91 +/- 0.14  99.959% * 98.4686% (1.00   4.20  14.34) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  12.71 +/- 0.89   0.017% *  0.3756% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.99 +/- 0.26   0.008% *  0.4649% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  16.99 +/- 0.72   0.003% *  0.4330% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  13.76 +/- 1.80   0.013% *  0.0724% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  26.81 +/- 0.40   0.000% *  0.0928% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  28.36 +/- 0.82   0.000% *  0.0928% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.965, support = 5.86, residual support = 157.6:
      O   QB    LYS+  33 - HN    LYS+  33   2.13 +/- 0.19  99.408% * 96.9969% (0.97   5.86 157.63) =  99.999%  kept
          HB3   GLN   30 - HN    LYS+  33   5.12 +/- 0.10   0.584% *  0.1288% (0.38   0.02   0.10) =   0.001%
          HB3   LYS+  38 - HN    LYS+  33  11.10 +/- 0.49   0.006% *  0.1943% (0.57   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.25 +/- 0.56   0.000% *  0.3424% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.29 +/- 0.67   0.000% *  0.2867% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  18.24 +/- 0.56   0.000% *  0.2748% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  18.51 +/- 0.39   0.000% *  0.3078% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  22.48 +/- 0.39   0.000% *  0.3432% (1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.13 +/- 0.37   0.000% *  0.2492% (0.73   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  27.76 +/- 0.67   0.000% *  0.2977% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  28.83 +/- 0.46   0.000% *  0.3402% (0.99   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  24.04 +/- 1.71   0.000% *  0.0856% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  25.93 +/- 0.75   0.000% *  0.0530% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  26.19 +/- 0.51   0.000% *  0.0464% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  28.86 +/- 0.78   0.000% *  0.0530% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.607, support = 4.34, residual support = 157.6:
          HG2   LYS+  33 - HN    LYS+  33   3.61 +/- 0.27  99.995% * 98.5870% (0.61   4.34 157.63) = 100.000%  kept
          HG2   LYS+ 106 - HN    LYS+  33  20.61 +/- 0.93   0.003% *  0.7222% (0.97   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LYS+  33  22.27 +/- 0.30   0.002% *  0.6908% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.375, support = 5.44, residual support = 157.5:
          HG3   LYS+  33 - HN    LYS+  33   3.42 +/- 0.86  83.113% * 92.0159% (0.38   5.44 157.63) =  99.949%  kept
          HB2   LEU   31 - HN    LYS+  33   4.95 +/- 0.18  16.448% *  0.2247% (0.25   0.02   0.02) =   0.048%
          HB3   LEU   73 - HN    LYS+  33   9.86 +/- 0.30   0.243% *  0.4742% (0.53   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LYS+  33  11.90 +/- 1.08   0.100% *  0.7818% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  12.73 +/- 0.43   0.052% *  0.4041% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  16.38 +/- 0.69   0.011% *  0.5467% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  16.94 +/- 1.24   0.010% *  0.5103% (0.57   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  19.86 +/- 0.44   0.003% *  0.8526% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.82 +/- 0.58   0.004% *  0.6888% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  18.76 +/- 0.56   0.005% *  0.4387% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  18.94 +/- 0.48   0.005% *  0.3383% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  19.90 +/- 0.84   0.003% *  0.4041% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  23.01 +/- 0.84   0.001% *  0.8698% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  23.97 +/- 1.01   0.001% *  0.6888% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  30.64 +/- 0.44   0.000% *  0.5830% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  27.68 +/- 0.88   0.000% *  0.1784% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.646, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    LYS+  33   5.20 +/- 0.33  99.912% * 25.0349% (0.65   0.02   0.02) =  99.867%  kept
          QG2   VAL   83 - HN    LYS+  33  18.21 +/- 0.77   0.059% * 38.3570% (0.99   0.02   0.02) =   0.091%
          QD1   ILE   89 - HN    LYS+  33  20.77 +/- 1.40   0.029% * 36.6081% (0.95   0.02   0.02) =   0.043%
    Distance limit 4.90 A violated in 13 structures by 0.31 A, eliminated.
    Peak unassigned.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.512, support = 2.1, residual support = 6.57:
          HA    GLN   32 - HN    ASN   35   3.07 +/- 0.15  85.723% * 32.0039% (0.38   2.22   8.38) =  77.325%  kept
          HA    LYS+  33 - HN    ASN   35   4.26 +/- 0.15  12.673% * 63.4526% (0.98   1.69   0.37) =  22.664%  kept
          HA    GLU-  29 - HN    ASN   35   8.36 +/- 0.19   0.217% *  0.7661% (1.00   0.02   0.02) =   0.005%
          HB2   SER   37 - HN    ASN   35   6.42 +/- 0.58   1.291% *  0.1185% (0.15   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    ASN   35   9.86 +/- 0.41   0.084% *  0.5868% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  14.10 +/- 0.60   0.010% *  0.7610% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  25.40 +/- 0.95   0.000% *  0.7410% (0.97   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  24.81 +/- 0.59   0.000% *  0.4967% (0.65   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  26.23 +/- 0.41   0.000% *  0.5868% (0.76   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  29.85 +/- 0.87   0.000% *  0.3157% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  28.49 +/- 0.77   0.000% *  0.1709% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.951, support = 0.0197, residual support = 45.5:
          HA    GLU-  36 - HN    ASN   35   5.09 +/- 0.08  93.308% * 25.2403% (0.97   0.02  46.13) =  98.540%  kept
          HA    ASN   28 - HN    ASN   35   7.94 +/- 0.30   6.664% *  5.1758% (0.20   0.02   0.02) =   1.443%
          HA    LYS+  81 - HN    ASN   35  25.63 +/- 0.48   0.006% * 26.0958% (1.00   0.02   0.02) =   0.006%
          HA    ALA  124 - HN    ASN   35  25.35 +/- 0.63   0.006% * 20.9424% (0.80   0.02   0.02) =   0.005%
          HA    ARG+  54 - HN    ASN   35  26.89 +/- 0.46   0.004% * 17.9653% (0.69   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    ASN   35  22.82 +/- 0.60   0.012% *  4.5804% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 20 structures by 0.75 A, eliminated.
    Peak unassigned.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 5.59, residual support = 54.4:
      O   HB2   ASN   35 - HN    ASN   35   2.22 +/- 0.40  99.571% * 94.9528% (0.31   5.59  54.36) =  99.995%  kept
          QE    LYS+  33 - HN    ASN   35   6.43 +/- 0.56   0.404% *  1.0975% (1.00   0.02   0.37) =   0.005%
          HB2   ASN   28 - HN    ASN   35  10.44 +/- 0.30   0.019% *  1.0615% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  13.62 +/- 0.87   0.005% *  0.1926% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  19.50 +/- 1.14   0.000% *  0.9541% (0.87   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  20.52 +/- 0.50   0.000% *  0.2743% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  24.62 +/- 0.45   0.000% *  0.7556% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  26.99 +/- 0.95   0.000% *  0.7116% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.23, residual support = 17.5:
          QB    ALA   34 - HN    ASN   35   2.84 +/- 0.09  98.508% * 97.9436% (0.92   3.23  17.54) =  99.996%  kept
          HG3   LYS+  38 - HN    ASN   35   6.93 +/- 0.43   0.531% *  0.3725% (0.57   0.02   0.02) =   0.002%
          QG2   THR   39 - HN    ASN   35   6.53 +/- 0.76   0.954% *  0.2031% (0.31   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  15.49 +/- 0.58   0.004% *  0.6449% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  19.79 +/- 0.60   0.001% *  0.5028% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  17.48 +/- 0.56   0.002% *  0.1302% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  21.68 +/- 0.98   0.001% *  0.2031% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 3.64, residual support = 102.4:
      O   HB2   ASN   28 - HD21  ASN   28   2.54 +/- 0.10  99.945% * 97.8793% (0.97   3.64 102.44) = 100.000%  kept
          HB2   ASN   35 - HD21  ASN   28   9.54 +/- 0.57   0.039% *  0.3383% (0.61   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD21  ASN   28  11.69 +/- 0.96   0.013% *  0.5003% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   28  17.63 +/- 0.88   0.001% *  0.5149% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  16.70 +/- 0.43   0.001% *  0.2094% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  21.44 +/- 1.11   0.000% *  0.5578% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.6, residual support = 102.4:
      O   HB3   ASN   28 - HD21  ASN   28   3.56 +/- 0.01  99.320% * 98.7168% (0.90   3.60 102.44) =  99.996%  kept
          HG2   GLN   30 - HD21  ASN   28   8.35 +/- 0.60   0.677% *  0.6099% (1.00   0.02   6.85) =   0.004%
          QE    LYS+ 121 - HD21  ASN   28  21.92 +/- 1.02   0.002% *  0.4439% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  23.53 +/- 0.76   0.001% *  0.2294% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.9, residual support = 13.0:
          QG2   VAL   24 - HD21  ASN   28   3.15 +/- 0.10  99.989% * 96.9704% (0.76   1.90  13.03) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  16.19 +/- 1.08   0.006% *  0.3334% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  21.48 +/- 0.64   0.001% *  1.1993% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  17.38 +/- 0.49   0.004% *  0.2063% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  27.09 +/- 0.80   0.000% *  1.2905% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 5.34, residual support = 49.3:
      O   HA    TRP   27 - HN    ASN   28   3.61 +/- 0.01  99.992% * 99.1643% (1.00   5.34  49.28) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  19.35 +/- 1.34   0.005% *  0.3429% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.40 +/- 0.53   0.002% *  0.2974% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.91 +/- 0.52   0.001% *  0.1954% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.04, residual support = 13.0:
          HA    VAL   24 - HN    ASN   28   4.17 +/- 0.07  99.945% * 99.3892% (0.92   5.04  13.03) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.41 +/- 0.58   0.040% *  0.1758% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  19.48 +/- 0.55   0.010% *  0.1758% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  22.26 +/- 0.38   0.004% *  0.2593% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.59, residual support = 49.3:
          HB2   TRP   27 - HN    ASN   28   3.27 +/- 0.04  99.975% * 99.2744% (0.80   5.59  49.28) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  13.23 +/- 0.37   0.023% *  0.3705% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  20.96 +/- 0.24   0.001% *  0.3552% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 6.8, residual support = 102.4:
      O   HB2   ASN   28 - HN    ASN   28   2.02 +/- 0.00  99.987% * 98.8547% (0.97   6.80 102.44) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28  10.50 +/- 1.07   0.007% *  0.2702% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  10.38 +/- 0.59   0.006% *  0.1827% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  18.81 +/- 0.73   0.000% *  0.2781% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  16.17 +/- 0.38   0.000% *  0.1131% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  20.30 +/- 1.28   0.000% *  0.3012% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.897, support = 6.64, residual support = 102.4:
      O   HB3   ASN   28 - HN    ASN   28   3.22 +/- 0.02  97.416% * 99.3002% (0.90   6.64 102.44) =  99.991%  kept
          HG2   GLN   30 - HN    ASN   28   6.08 +/- 0.55   2.583% *  0.3326% (1.00   0.02   6.85) =   0.009%
          QE    LYS+ 121 - HN    ASN   28  23.02 +/- 0.99   0.001% *  0.2421% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  23.83 +/- 0.78   0.001% *  0.1251% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.303, support = 3.53, residual support = 28.2:
          HG3   GLU-  29 - HN    ASN   28   4.05 +/- 0.27  85.946% * 46.4865% (0.20   3.98  32.51) =  85.021%  kept
          HB2   GLU-  25 - HN    ASN   28   5.51 +/- 0.19  13.901% * 50.6308% (0.90   0.96   3.97) =  14.977%  kept
          HB2   MET   96 - HN    ASN   28  12.94 +/- 0.39   0.091% *  0.3643% (0.31   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    ASN   28  15.62 +/- 1.22   0.030% *  0.9452% (0.80   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    ASN   28  17.06 +/- 0.41   0.017% *  0.8572% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ASN   28  17.70 +/- 1.01   0.015% *  0.7160% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.46, support = 3.41, residual support = 13.0:
          QG2   VAL   24 - HN    ASN   28   3.84 +/- 0.08  88.681% * 60.2348% (0.45   3.55  13.03) =  92.472%  kept
          QG1   VAL   24 - HN    ASN   28   5.43 +/- 0.16  11.305% * 38.4645% (0.61   1.68  13.03) =   7.528%  kept
          QG1   VAL  107 - HN    ASN   28  17.54 +/- 0.43   0.010% *  0.6987% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  21.54 +/- 0.71   0.003% *  0.2336% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  28.43 +/- 0.89   0.001% *  0.3684% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.85 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 = 0.154, support = 4.04, residual support = 4.04:
          QD1   LEU   73 - HN    ASN   28   4.38 +/- 0.12  97.277% * 90.5322% (0.15   4.05   4.04) =  99.954%  kept
          QD2   LEU   80 - HN    ASN   28   8.26 +/- 0.26   2.243% *  1.3002% (0.45   0.02   0.02) =   0.033%
          QG1   VAL   83 - HN    ASN   28  11.45 +/- 0.62   0.324% *  2.8937% (1.00   0.02   0.02) =   0.011%
          QG2   ILE   89 - HN    ASN   28  14.55 +/- 0.92   0.078% *  1.6419% (0.57   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ASN   28  16.32 +/- 0.60   0.038% *  1.9921% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ASN   28  16.72 +/- 0.41   0.032% *  0.4475% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  21.19 +/- 0.48   0.008% *  1.1923% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.16 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 = 3.16, residual support = 22.1:
          HA    VAL   24 - HN    TRP   27   3.19 +/- 0.09  99.984% * 99.0637% (0.99   3.16  22.15) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  17.17 +/- 0.48   0.004% *  0.4588% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  16.43 +/- 0.77   0.006% *  0.0774% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  18.21 +/- 0.56   0.003% *  0.1107% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  22.04 +/- 0.32   0.001% *  0.1950% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  20.20 +/- 0.46   0.002% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  29.26 +/- 1.05   0.000% *  0.0567% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  28.94 +/- 0.56   0.000% *  0.0241% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 5.13, residual support = 95.9:
      O   HB2   TRP   27 - HN    TRP   27   2.01 +/- 0.00  99.877% * 99.2869% (0.99   5.13  95.94) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   6.94 +/- 0.83   0.073% *  0.0478% (0.12   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   7.30 +/- 0.46   0.047% *  0.0254% (0.07   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  12.02 +/- 0.33   0.002% *  0.2053% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  20.10 +/- 0.29   0.000% *  0.3868% (0.99   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  17.57 +/- 0.72   0.000% *  0.0478% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 5.37, residual support = 95.9:
      O   HB3   TRP   27 - HN    TRP   27   3.18 +/- 0.04  99.967% * 98.7311% (0.99   5.37  95.94) = 100.000%  kept
          HB2   PHE   97 - HN    TRP   27  18.46 +/- 0.53   0.003% *  0.3634% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  17.34 +/- 0.68   0.004% *  0.1951% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  17.33 +/- 0.55   0.004% *  0.1524% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  19.66 +/- 0.79   0.002% *  0.2249% (0.61   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.69 +/- 0.84   0.003% *  0.1031% (0.28   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  17.58 +/- 0.70   0.004% *  0.0454% (0.12   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  17.27 +/- 1.24   0.004% *  0.0278% (0.07   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  16.10 +/- 0.35   0.006% *  0.0188% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  20.44 +/- 0.81   0.001% *  0.0502% (0.14   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  20.46 +/- 0.67   0.001% *  0.0449% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  25.08 +/- 0.64   0.000% *  0.0241% (0.07   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  24.30 +/- 1.42   0.001% *  0.0062% (0.02   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  30.09 +/- 1.17   0.000% *  0.0127% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.748, residual support = 1.5:
          HB3   CYS   21 - HN    TRP   27   3.44 +/- 0.38  99.972% * 96.3448% (0.53   0.75   1.50) = 100.000%  kept
          HG2   MET   96 - HN    TRP   27  15.59 +/- 0.57   0.014% *  2.9699% (0.61   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ALA   91  16.83 +/- 1.02   0.010% *  0.3670% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  18.36 +/- 0.53   0.005% *  0.3183% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.39, residual support = 19.8:
          QG2   THR   26 - HN    TRP   27   3.37 +/- 0.13  99.760% * 97.5564% (0.98   4.39  19.80) =  99.999%  kept
          HB2   LYS+  74 - HN    TRP   27  10.35 +/- 0.41   0.124% *  0.3632% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    TRP   27  12.44 +/- 0.35   0.041% *  0.0794% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  20.32 +/- 1.16   0.002% *  0.4525% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  17.42 +/- 0.57   0.005% *  0.0898% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  22.49 +/- 0.73   0.001% *  0.3466% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  16.21 +/- 0.39   0.008% *  0.0449% (0.10   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  19.54 +/- 0.70   0.003% *  0.1261% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  13.24 +/- 0.72   0.029% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  25.72 +/- 0.95   0.001% *  0.4525% (1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  18.29 +/- 0.47   0.004% *  0.0549% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  14.58 +/- 0.31   0.016% *  0.0111% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  24.77 +/- 0.71   0.001% *  0.1261% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  24.14 +/- 0.59   0.001% *  0.0898% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  24.27 +/- 0.94   0.001% *  0.0559% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  24.78 +/- 0.89   0.001% *  0.0559% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  24.84 +/- 1.12   0.001% *  0.0428% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  24.33 +/- 0.42   0.001% *  0.0156% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  25.11 +/- 1.00   0.001% *  0.0156% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  25.49 +/- 0.78   0.001% *  0.0111% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.998, support = 3.68, residual support = 36.5:
          QD1   LEU   73 - HN    TRP   27   4.36 +/- 0.10  93.001% * 97.5580% (1.00   3.68  36.46) =  99.978%  kept
          QD2   LEU   80 - HN    TRP   27   7.30 +/- 0.20   4.334% *  0.4056% (0.76   0.02   0.02) =   0.019%
          QG2   VAL   41 - HN    TRP   27   8.78 +/- 0.54   1.482% *  0.0718% (0.14   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    TRP   27  11.30 +/- 0.63   0.333% *  0.0819% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    TRP   27  16.41 +/- 0.46   0.033% *  0.5296% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.57 +/- 0.90   0.324% *  0.0501% (0.09   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.26 +/- 0.62   0.025% *  0.2793% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  17.83 +/- 0.52   0.020% *  0.3219% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  20.72 +/- 0.52   0.008% *  0.4250% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  11.52 +/- 0.17   0.276% *  0.0101% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  15.86 +/- 0.61   0.042% *  0.0654% (0.12   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  16.11 +/- 0.18   0.037% *  0.0654% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  16.22 +/- 0.37   0.035% *  0.0525% (0.10   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  18.43 +/- 0.58   0.017% *  0.0398% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  17.06 +/- 0.62   0.027% *  0.0089% (0.02   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  22.02 +/- 0.74   0.006% *  0.0345% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 10 structures by 0.09 A, kept and volume modified.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.757, residual support = 3.79:
          QG2   VAL   75 - HN    TRP   27   4.62 +/- 0.06  99.385% * 96.6569% (0.95   0.76   3.79) =  99.992%  kept
          QG2   VAL   42 - HN    TRP   27  12.96 +/- 0.80   0.234% *  2.6945% (1.00   0.02   0.02) =   0.007%
          QG2   VAL   75 - HN    ALA   91  11.95 +/- 0.46   0.344% *  0.3157% (0.12   0.02   0.02) =   0.001%
          QG2   VAL   42 - HN    ALA   91  17.31 +/- 0.56   0.037% *  0.3329% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.994, support = 0.0199, residual support = 95.6:
          HA    TRP   27 - HE1   TRP   27   6.17 +/- 0.03  99.606% * 30.5528% (1.00   0.02  95.94) =  99.657%  kept
          HA    ALA   91 - HE1   TRP   27  17.53 +/- 0.94   0.201% * 28.9660% (0.95   0.02   0.02) =   0.190%
          HA    VAL  107 - HE1   TRP   27  17.96 +/- 0.54   0.168% * 25.5766% (0.84   0.02   0.02) =   0.140%
          HA    PRO   52 - HE1   TRP   27  24.57 +/- 0.63   0.025% * 14.9047% (0.49   0.02   0.02) =   0.012%
    Distance limit 5.14 A violated in 20 structures by 1.03 A, eliminated.
    Peak unassigned.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.51, residual support = 36.5:
          QD1   LEU   73 - HE1   TRP   27   4.60 +/- 0.07  96.489% * 96.1009% (0.87   2.51  36.46) =  99.972%  kept
          QD2   LEU   80 - HE1   TRP   27   8.57 +/- 0.49   2.476% *  0.8758% (0.99   0.02   0.02) =   0.023%
          QG1   VAL   83 - HE1   TRP   27  10.46 +/- 0.88   0.780% *  0.3632% (0.41   0.02   0.02) =   0.003%
          QD1   LEU  104 - HE1   TRP   27  14.26 +/- 0.66   0.116% *  0.7664% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HE1   TRP   27  15.16 +/- 0.36   0.076% *  0.7664% (0.87   0.02   0.02) =   0.001%
          QD2   LEU  115 - HE1   TRP   27  19.41 +/- 0.45   0.017% *  0.8816% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HE1   TRP   27  16.59 +/- 0.57   0.045% *  0.2457% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.343, support = 1.91, residual support = 16.8:
          QD2   LEU   31 - HE1   TRP   27   3.50 +/- 0.41  95.358% * 47.7941% (0.31   1.97  17.19) =  94.951%  kept
          QG2   VAL   43 - HE1   TRP   27   5.94 +/- 0.22   4.642% * 52.2059% (0.99   0.67   9.13) =   5.049%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.55, residual support = 28.7:
          HB2   GLU-  25 - HN    THR   26   2.68 +/- 0.16  95.012% * 98.9506% (0.90   5.55  28.66) =  99.996%  kept
          HG3   GLU-  29 - HN    THR   26   4.43 +/- 0.33   4.982% *  0.0787% (0.20   0.02   2.06) =   0.004%
          QG    GLN   17 - HN    THR   26  16.03 +/- 1.35   0.003% *  0.3183% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  15.91 +/- 0.54   0.002% *  0.1227% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  19.58 +/- 0.45   0.001% *  0.2886% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  21.28 +/- 1.13   0.000% *  0.2411% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.566, support = 5.27, residual support = 28.7:
          HB3   GLU-  25 - HN    THR   26   3.25 +/- 0.15  99.124% * 95.5050% (0.57   5.27  28.66) =  99.996%  kept
          HG3   GLN   30 - HN    THR   26   8.06 +/- 0.95   0.642% *  0.5352% (0.84   0.02   4.74) =   0.004%
          HB2   GLN   30 - HN    THR   26   9.58 +/- 0.23   0.158% *  0.3371% (0.53   0.02   4.74) =   0.001%
          HB    ILE   19 - HN    THR   26  11.30 +/- 0.42   0.061% *  0.1268% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  16.93 +/- 0.79   0.006% *  0.4897% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  17.35 +/- 0.40   0.004% *  0.4897% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  23.22 +/- 0.41   0.001% *  0.6393% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  22.50 +/- 1.31   0.001% *  0.3886% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  28.04 +/- 0.51   0.000% *  0.5352% (0.84   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  24.81 +/- 1.08   0.001% *  0.1978% (0.31   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  25.03 +/- 1.06   0.001% *  0.1598% (0.25   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  28.59 +/- 0.78   0.000% *  0.3371% (0.53   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  26.01 +/- 0.75   0.000% *  0.1598% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  25.07 +/- 0.37   0.000% *  0.0989% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.46, residual support = 28.4:
          QG2   THR   26 - HN    THR   26   3.62 +/- 0.02  99.929% * 98.0839% (0.95   4.46  28.40) = 100.000%  kept
          HB2   LYS+  74 - HN    THR   26  12.40 +/- 0.42   0.063% *  0.4611% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  22.41 +/- 1.24   0.002% *  0.4172% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  19.90 +/- 0.55   0.004% *  0.2086% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  24.60 +/- 0.72   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  28.31 +/- 0.96   0.000% *  0.3886% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  26.86 +/- 0.53   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  27.64 +/- 0.90   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.624, support = 0.0194, residual support = 0.0194:
          HB2   LEU   31 - HN    THR   26   8.62 +/- 0.12  66.142% * 11.0578% (0.69   0.02   0.02) =  72.136%  kept
          HB3   LEU   80 - HN    THR   26  10.31 +/- 0.62  23.447% *  8.4695% (0.53   0.02   0.02) =  19.586%  kept
          QG2   THR   77 - HN    THR   26  12.66 +/- 0.45   6.742% *  7.8357% (0.49   0.02   0.02) =   5.210%  kept
          HB3   ASP-  44 - HN    THR   26  15.65 +/- 1.11   2.077% *  4.9686% (0.31   0.02   0.02) =   1.018%
          QB    ALA   88 - HN    THR   26  19.51 +/- 0.70   0.496% * 13.9639% (0.87   0.02   0.02) =   0.684%
          HG2   LYS+  38 - HN    THR   26  20.35 +/- 0.71   0.397% * 16.0623% (1.00   0.02   0.02) =   0.629%
          HG2   LYS+  99 - HN    THR   26  21.29 +/- 0.72   0.295% * 15.5357% (0.97   0.02   0.02) =   0.452%
          HB2   LEU   63 - HN    THR   26  21.37 +/- 0.63   0.288% *  6.6181% (0.41   0.02   0.02) =   0.188%
          HG2   LYS+ 111 - HN    THR   26  27.26 +/- 0.83   0.067% * 12.3026% (0.76   0.02   0.02) =   0.081%
          QB    ALA  124 - HN    THR   26  28.90 +/- 0.92   0.047% *  3.1858% (0.20   0.02   0.02) =   0.015%
    Distance limit 4.84 A violated in 20 structures by 3.25 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.64, residual support = 39.6:
      O   HA    VAL   24 - HN    GLU-  25   3.59 +/- 0.03  99.994% * 99.4538% (0.92   5.64  39.64) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  20.13 +/- 0.58   0.003% *  0.1572% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  21.49 +/- 0.56   0.002% *  0.1572% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  25.95 +/- 0.32   0.001% *  0.2319% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.607, support = 6.2, residual support = 127.3:
      O   HB2   GLU-  25 - HN    GLU-  25   2.59 +/- 0.45  99.266% * 98.5964% (0.61   6.20 127.33) =  99.998%  kept
          HG3   GLU-  29 - HN    GLU-  25   6.45 +/- 0.47   0.661% *  0.2352% (0.45   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    GLU-  25   9.22 +/- 0.20   0.070% *  0.0809% (0.15   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.95 +/- 1.35   0.001% *  0.2554% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.45 +/- 1.06   0.000% *  0.4705% (0.90   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  20.93 +/- 0.46   0.001% *  0.2157% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  20.24 +/- 0.66   0.001% *  0.1459% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.0, residual support = 127.3:
      O   HB3   GLU-  25 - HN    GLU-  25   2.75 +/- 0.69  99.860% * 96.0331% (0.57   6.00 127.33) =  99.999%  kept
          HG3   GLN   30 - HN    GLU-  25  10.39 +/- 1.01   0.082% *  0.4723% (0.84   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLU-  25  11.58 +/- 0.23   0.036% *  0.2975% (0.53   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  13.13 +/- 0.41   0.016% *  0.1119% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  18.98 +/- 0.84   0.002% *  0.4322% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  19.37 +/- 0.42   0.002% *  0.4322% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  23.03 +/- 1.31   0.001% *  0.3430% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  25.14 +/- 0.40   0.000% *  0.5642% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  27.36 +/- 0.54   0.000% *  0.4723% (0.84   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  23.65 +/- 1.17   0.000% *  0.1745% (0.31   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.51 +/- 1.05   0.000% *  0.1410% (0.25   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  28.91 +/- 0.75   0.000% *  0.2975% (0.53   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  26.12 +/- 0.71   0.000% *  0.1410% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  26.87 +/- 0.35   0.000% *  0.0873% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 3.4, residual support = 6.56:
          QG2   THR   23 - HN    GLU-  25   4.17 +/- 0.25  99.610% * 98.6708% (0.73   3.40   6.56) =  99.998%  kept
          QG2   THR   77 - HN    GLU-  25  11.71 +/- 0.48   0.219% *  0.5796% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.59 +/- 0.27   0.135% *  0.2996% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  17.58 +/- 0.73   0.019% *  0.2723% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  17.94 +/- 0.43   0.016% *  0.1777% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.8, residual support = 39.6:
          QG2   VAL   24 - HN    GLU-  25   3.33 +/- 0.22  99.996% * 99.2758% (0.97   4.80  39.64) = 100.000%  kept
          QG1   VAL  107 - HN    GLU-  25  19.44 +/- 0.54   0.003% *  0.1607% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    GLU-  25  24.25 +/- 0.69   0.001% *  0.3715% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  28.46 +/- 0.97   0.000% *  0.1920% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.41, residual support = 127.3:
          HG2   GLU-  25 - HN    GLU-  25   3.78 +/- 0.34  99.972% * 99.4456% (0.97   5.41 127.33) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  15.91 +/- 1.38   0.022% *  0.1175% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  19.93 +/- 0.58   0.005% *  0.1854% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  30.98 +/- 0.54   0.000% *  0.1566% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  31.97 +/- 0.60   0.000% *  0.0950% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 65.6:
      O   HA    VAL   24 - HN    VAL   24   2.77 +/- 0.02  99.999% * 99.2912% (0.92   4.34  65.58) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  19.92 +/- 0.54   0.001% *  0.2039% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  20.95 +/- 0.58   0.001% *  0.2039% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  25.38 +/- 0.32   0.000% *  0.3009% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 65.6:
      O   HB    VAL   24 - HN    VAL   24   2.34 +/- 0.17  99.174% * 98.7864% (0.95   4.68  65.58) =  99.999%  kept
          HB3   GLU-  79 - HN    VAL   24   5.26 +/- 0.24   0.822% *  0.0689% (0.15   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    VAL   24  12.63 +/- 0.26   0.004% *  0.4004% (0.90   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  23.29 +/- 0.81   0.000% *  0.4376% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  24.88 +/- 0.35   0.000% *  0.3067% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 5.44, residual support = 25.5:
          QG2   THR   23 - HN    VAL   24   3.74 +/- 0.18  99.553% * 99.1633% (0.73   5.44  25.46) =  99.999%  kept
          QG2   THR   77 - HN    VAL   24   9.63 +/- 0.52   0.355% *  0.3649% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   24  13.03 +/- 0.28   0.058% *  0.1886% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  15.86 +/- 0.66   0.018% *  0.1714% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  16.03 +/- 0.49   0.016% *  0.1119% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 65.6:
          QG1   VAL   24 - HN    VAL   24   2.24 +/- 0.27  93.879% * 98.7010% (0.90   4.08  65.58) =  99.993%  kept
          QG2   VAL   24 - HN    VAL   24   3.66 +/- 0.03   6.115% *  0.1067% (0.20   0.02  65.58) =   0.007%
          HB3   LEU   31 - HN    VAL   24  11.76 +/- 0.16   0.005% *  0.1200% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  18.21 +/- 0.60   0.000% *  0.5342% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  27.40 +/- 0.99   0.000% *  0.4316% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  25.04 +/- 0.84   0.000% *  0.1067% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.764, support = 0.75, residual support = 2.25:
          QD2   LEU   80 - HN    VAL   24   3.51 +/- 0.10  97.785% * 87.1686% (0.76   0.75   2.25) =  99.949%  kept
          QD1   LEU   73 - HN    VAL   24   7.25 +/- 0.07   1.275% *  3.0349% (1.00   0.02   0.02) =   0.045%
          QG1   VAL   83 - HN    VAL   24   7.93 +/- 0.68   0.829% *  0.4693% (0.15   0.02   0.02) =   0.005%
          QG2   VAL   41 - HN    VAL   24  11.28 +/- 0.55   0.096% *  0.4116% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    VAL   24  17.72 +/- 0.48   0.006% *  3.0349% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  19.46 +/- 0.47   0.003% *  1.8448% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  19.61 +/- 0.72   0.003% *  1.6003% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  21.33 +/- 0.52   0.002% *  2.4355% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.14, residual support = 23.7:
          HB2   HIS   22 - HN    THR   23   4.43 +/- 0.09  99.984% * 99.6203% (0.99   5.14  23.66) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  21.25 +/- 0.59   0.009% *  0.3268% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  21.99 +/- 1.41   0.007% *  0.0529% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 5.78, residual support = 23.7:
          HB3   HIS   22 - HN    THR   23   3.65 +/- 0.20  99.991% * 99.7248% (0.76   5.78  23.66) = 100.000%  kept
          HD3   ARG+  54 - HN    THR   23  21.40 +/- 1.05   0.003% *  0.1858% (0.41   0.02   0.02) =   0.000%
          HB2   PHE   95 - HN    THR   23  19.01 +/- 0.72   0.006% *  0.0894% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 1.98, residual support = 4.86:
          HB3   CYS   21 - HN    THR   23   3.58 +/- 0.46 100.000% *100.0000% (1.00   1.98   4.86) = 100.000%  kept
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 2.14, residual support = 14.3:
          QG2   THR   26 - HN    THR   23   3.79 +/- 0.18  99.450% * 95.0134% (0.73   2.14  14.31) =  99.993%  kept
          HB2   LYS+  74 - HN    THR   23   9.21 +/- 0.44   0.533% *  1.1558% (0.95   0.02   0.02) =   0.007%
          HB3   LEU   40 - HN    THR   23  19.52 +/- 0.67   0.006% *  0.8872% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   23  19.66 +/- 1.30   0.006% *  0.7904% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  24.87 +/- 0.94   0.001% *  0.5947% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  25.19 +/- 0.62   0.001% *  0.5947% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  22.61 +/- 0.78   0.002% *  0.2720% (0.22   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  27.00 +/- 0.81   0.001% *  0.6917% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.8, residual support = 19.3:
          QG2   THR   23 - HN    THR   23   3.35 +/- 0.36  99.793% * 97.7244% (0.41   4.80  19.35) =  99.998%  kept
          QG2   THR   77 - HN    THR   23  10.29 +/- 0.48   0.149% *  0.9558% (0.97   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    THR   23  12.25 +/- 0.34   0.050% *  0.1528% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   23  18.08 +/- 0.63   0.005% *  0.6407% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  22.01 +/- 1.00   0.002% *  0.3057% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  21.83 +/- 0.76   0.002% *  0.2205% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.421, support = 0.0191, residual support = 0.0191:
          QD1   LEU   73 - HN    THR   23   6.31 +/- 0.14  46.555% * 13.1068% (0.53   0.02   0.02) =  64.918%  kept
          QD2   LEU   80 - HN    THR   23   6.36 +/- 0.44  44.459% *  4.9301% (0.20   0.02   0.02) =  23.319%  kept
          QD1   LEU   80 - HN    THR   23   8.87 +/- 0.63   6.241% * 11.1688% (0.45   0.02   0.02) =   7.416%  kept
          QG2   VAL   41 - HN    THR   23  10.94 +/- 0.58   1.827% * 16.1157% (0.65   0.02   0.02) =   3.132%
          QD2   LEU   98 - HN    THR   23  13.03 +/- 0.90   0.656% * 11.1688% (0.45   0.02   0.02) =   0.779%
          QD2   LEU   63 - HN    THR   23  18.22 +/- 0.48   0.082% * 24.8567% (1.00   0.02   0.02) =   0.216%
          QD1   LEU   63 - HN    THR   23  16.64 +/- 0.54   0.141% * 13.1068% (0.53   0.02   0.02) =   0.196%
          QD2   LEU  115 - HN    THR   23  20.48 +/- 0.63   0.040% *  5.5463% (0.22   0.02   0.02) =   0.024%
    Distance limit 4.11 A violated in 20 structures by 1.45 A, eliminated.
    Peak unassigned.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.45, residual support = 33.0:
      O   HB3   HIS   22 - HN    HIS   22   2.54 +/- 0.06 100.000% * 99.5727% (0.98   3.45  32.97) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  20.36 +/- 1.07   0.000% *  0.4273% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.262, support = 6.34, residual support = 156.3:
          HG3   ARG+  54 - HN    ARG+  54   3.77 +/- 0.31  58.692% * 94.8941% (0.26   6.38 157.17) =  99.431%  kept
          QB    ALA   57 - HN    ARG+  54   4.08 +/- 0.10  38.367% *  0.8182% (0.72   0.02   0.02) =   0.560%
          QB    ALA   57 - HN    ASP-  62   6.35 +/- 0.12   2.626% *  0.1531% (0.14   0.02   0.02) =   0.007%
          HD2   LYS+  74 - HN    ARG+  54  11.20 +/- 0.39   0.088% *  0.4800% (0.42   0.02   0.02) =   0.001%
          HB3   LEU  123 - HN    ASP-  62  12.27 +/- 0.54   0.052% *  0.1964% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62  11.27 +/- 0.83   0.098% *  0.0898% (0.08   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ARG+  54  16.13 +/- 0.36   0.010% *  0.8573% (0.76   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  12.36 +/- 0.87   0.056% *  0.0557% (0.05   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  22.57 +/- 0.45   0.001% *  1.0494% (0.93   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  18.05 +/- 0.25   0.005% *  0.1604% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  19.07 +/- 1.14   0.004% *  0.1964% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  25.16 +/- 1.20   0.001% *  1.0494% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 3.34, residual support = 27.3:
      O   HB2   CYS   21 - HN    CYS   21   2.76 +/- 0.47  99.918% * 99.3901% (0.90   3.34  27.33) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  11.09 +/- 0.29   0.037% *  0.1161% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.06 +/- 0.78   0.039% *  0.0646% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.23 +/- 0.44   0.005% *  0.0367% (0.06   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  21.53 +/- 0.42   0.001% *  0.2046% (0.31   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  22.16 +/- 1.01   0.000% *  0.1878% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.33, residual support = 27.3:
      O   HB3   CYS   21 - HN    CYS   21   3.47 +/- 0.18  99.957% * 98.9119% (0.53   3.33  27.33) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  15.14 +/- 0.40   0.015% *  0.6843% (0.61   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  13.88 +/- 0.65   0.027% *  0.2162% (0.19   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  23.10 +/- 0.66   0.001% *  0.1876% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.293, support = 0.0183, residual support = 0.228:
          HG    LEU  123 - HN    ILE  119   6.89 +/- 0.75  58.311% *  3.5886% (0.32   0.02   0.32) =  69.183%  kept
          QB    LYS+  66 - HN    ILE  119   8.80 +/- 0.40  13.592% *  2.1815% (0.19   0.02   0.02) =   9.803%  kept
          HB3   ASP- 105 - HN    ILE  119   8.39 +/- 0.27  17.651% *  1.1101% (0.10   0.02   0.02) =   6.478%  kept
          HB    VAL   41 - HN    CYS   21  12.26 +/- 0.95   2.072% *  9.1141% (0.80   0.02   0.02) =   6.244%  kept
          QB    LYS+  33 - HN    CYS   21  11.21 +/- 0.36   3.084% *  2.5341% (0.22   0.02   0.02) =   2.584%
          HG12  ILE  103 - HN    CYS   21  17.62 +/- 0.78   0.212% * 10.5070% (0.92   0.02   0.02) =   0.736%
          QB    LYS+  66 - HN    CYS   21  16.38 +/- 0.45   0.315% *  6.9036% (0.61   0.02   0.02) =   0.719%
          HB3   PRO   52 - HN    ILE  119  15.34 +/- 0.60   0.469% *  3.5886% (0.32   0.02   0.02) =   0.556%
          HB3   PRO   52 - HN    CYS   21  18.89 +/- 0.70   0.138% * 11.3569% (1.00   0.02   0.02) =   0.518%
          HG2   PRO   93 - HN    CYS   21  16.29 +/- 0.79   0.342% *  3.8825% (0.34   0.02   0.02) =   0.439%
          HG2   ARG+  54 - HN    CYS   21  16.29 +/- 0.79   0.333% *  3.8825% (0.34   0.02   0.02) =   0.427%
          HG12  ILE  103 - HN    ILE  119  15.88 +/- 0.62   0.386% *  3.3201% (0.29   0.02   0.02) =   0.424%
          HG2   PRO   93 - HN    ILE  119  13.56 +/- 0.42   0.993% *  1.2268% (0.11   0.02   0.02) =   0.403%
          HB3   ASP- 105 - HN    CYS   21  17.93 +/- 0.53   0.185% *  3.5131% (0.31   0.02   0.02) =   0.215%
          HB    VAL   41 - HN    ILE  119  17.43 +/- 0.83   0.222% *  2.8799% (0.25   0.02   0.02) =   0.212%
          HG3   PRO   68 - HN    CYS   21  19.17 +/- 0.36   0.121% *  4.6793% (0.41   0.02   0.02) =   0.188%
          HB    ILE  103 - HN    ILE  119  15.84 +/- 0.34   0.380% *  1.3499% (0.12   0.02   0.02) =   0.169%
          HG    LEU  123 - HN    CYS   21  23.43 +/- 0.68   0.037% * 11.3569% (1.00   0.02   0.02) =   0.141%
          HB    ILE  103 - HN    CYS   21  20.19 +/- 0.50   0.090% *  4.2718% (0.38   0.02   0.02) =   0.128%
          HG3   PRO   68 - HN    ILE  119  17.19 +/- 0.47   0.239% *  1.4786% (0.13   0.02   0.02) =   0.117%
          HB3   GLN   90 - HN    CYS   21  18.86 +/- 0.86   0.139% *  1.9934% (0.18   0.02   0.02) =   0.092%
          HG2   ARG+  54 - HN    ILE  119  17.91 +/- 0.59   0.191% *  1.2268% (0.11   0.02   0.02) =   0.078%
          QB    LYS+ 102 - HN    ILE  119  16.31 +/- 0.32   0.320% *  0.6299% (0.06   0.02   0.02) =   0.067%
          QB    LYS+ 102 - HN    CYS   21  20.18 +/- 0.52   0.091% *  1.9934% (0.18   0.02   0.02) =   0.060%
          QB    LYS+  33 - HN    ILE  119  21.82 +/- 0.61   0.056% *  0.8007% (0.07   0.02   0.02) =   0.015%
          HB3   GLN   90 - HN    ILE  119  24.47 +/- 0.70   0.028% *  0.6299% (0.06   0.02   0.02) =   0.006%
    Distance limit 3.85 A violated in 20 structures by 2.46 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.662, support = 4.66, residual support = 82.0:
          QB    ALA   20 - HN    CYS   21   3.50 +/- 0.02  61.988% * 57.5188% (0.80   3.77  15.97) =  71.713%  kept
          HG13  ILE  119 - HN    ILE  119   3.86 +/- 0.10  34.426% * 40.8478% (0.31   6.92 249.59) =  28.284%  kept
          QG1   VAL   24 - HN    CYS   21   7.69 +/- 0.73   0.645% *  0.1177% (0.31   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    ILE  119   7.04 +/- 0.19   0.950% *  0.0495% (0.13   0.02   0.86) =   0.001%
          QG2   VAL  107 - HN    ILE  119   6.46 +/- 0.42   1.731% *  0.0268% (0.07   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    CYS   21  12.21 +/- 0.23   0.035% *  0.3679% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119   9.46 +/- 1.20   0.207% *  0.0495% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.89 +/- 0.70   0.003% *  0.3737% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  15.44 +/- 0.41   0.009% *  0.0849% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.46 +/- 0.49   0.003% *  0.0965% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  22.51 +/- 0.83   0.001% *  0.1567% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.22 +/- 0.50   0.001% *  0.1567% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  23.12 +/- 0.55   0.001% *  0.1163% (0.30   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.14 +/- 1.42   0.001% *  0.0372% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.515, support = 1.45, residual support = 4.66:
          QD2   LEU   73 - HN    CYS   21   5.23 +/- 0.25  37.582% * 73.8335% (0.57   1.55   5.43) =  85.535%  kept
          QD1   ILE   19 - HN    CYS   21   5.60 +/- 0.37  26.300% * 16.7829% (0.22   0.90   0.12) =  13.606%  kept
          QG2   VAL   18 - HN    CYS   21   6.54 +/- 0.90  12.315% *  1.0867% (0.65   0.02   0.02) =   0.413%
          QG2   THR   46 - HN    CYS   21   6.88 +/- 0.42   7.400% *  0.8838% (0.53   0.02   0.02) =   0.202%
          QG1   VAL   43 - HN    CYS   21   7.99 +/- 0.34   2.938% *  1.4571% (0.87   0.02   0.02) =   0.132%
          QD1   ILE   56 - HN    ILE  119   6.34 +/- 0.29  11.750% *  0.1638% (0.10   0.02   0.02) =   0.059%
          HG    LEU   31 - HN    CYS   21  10.06 +/- 0.37   0.732% *  1.2198% (0.73   0.02   0.02) =   0.028%
          QG1   VAL   41 - HN    CYS   21  11.37 +/- 0.38   0.350% *  1.6465% (0.98   0.02   0.02) =   0.018%
          QG1   VAL   43 - HN    ILE  119  13.38 +/- 0.53   0.133% *  0.4604% (0.27   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    ILE  119  13.01 +/- 0.83   0.171% *  0.3434% (0.20   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    CYS   21  13.83 +/- 0.39   0.107% *  0.5185% (0.31   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    ILE  119  14.88 +/- 0.48   0.070% *  0.5203% (0.31   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE  119  14.42 +/- 0.56   0.086% *  0.2793% (0.17   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    ILE  119  16.01 +/- 0.44   0.044% *  0.3005% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE  119  22.15 +/- 1.10   0.007% *  0.3854% (0.23   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  19.08 +/- 0.41   0.015% *  0.1182% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 4 structures by 0.06 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.218, support = 4.38, residual support = 10.1:
          QD2   LEU  115 - HN    ILE  119   3.15 +/- 0.26  79.193% * 11.7005% (0.07   4.43  12.36) =  67.406%  kept
          QD1   LEU   73 - HN    CYS   21   5.05 +/- 0.30   5.250% * 84.7828% (0.53   4.29   5.43) =  32.379%  kept
          QD2   LEU   63 - HN    ILE  119   4.78 +/- 0.57   8.142% *  0.2366% (0.32   0.02   0.02) =   0.140%
          QD1   LEU   63 - HN    ILE  119   4.80 +/- 0.53   6.957% *  0.1248% (0.17   0.02   0.02) =   0.063%
          QG2   VAL   41 - HN    CYS   21   9.00 +/- 0.46   0.166% *  0.4855% (0.65   0.02   0.02) =   0.006%
          QD2   LEU   80 - HN    CYS   21   9.20 +/- 0.72   0.146% *  0.1485% (0.20   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    CYS   21  11.48 +/- 1.27   0.051% *  0.3364% (0.45   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    CYS   21  11.57 +/- 0.91   0.038% *  0.3364% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    CYS   21  12.79 +/- 0.44   0.020% *  0.3948% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    CYS   21  14.30 +/- 0.40   0.010% *  0.7488% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ILE  119  14.41 +/- 0.40   0.009% *  0.1534% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE  119  14.44 +/- 0.99   0.009% *  0.1063% (0.14   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  16.73 +/- 0.45   0.004% *  0.1671% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  17.20 +/- 0.39   0.003% *  0.1248% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  23.79 +/- 2.13   0.001% *  0.1063% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  22.93 +/- 1.21   0.001% *  0.0469% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.278, support = 5.59, residual support = 34.2:
          HN    THR  118 - HN    ILE  119   2.44 +/- 0.05  97.524% * 95.7557% (0.28   5.60  34.17) =  99.982%  kept
          HN    GLN  116 - HN    ILE  119   4.55 +/- 0.12   2.327% *  0.6476% (0.53   0.02  14.85) =   0.016%
          HN    GLU- 114 - HN    ILE  119   7.64 +/- 0.21   0.104% *  1.1644% (0.95   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    ILE  119   9.22 +/- 0.23   0.034% *  0.1666% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.51 +/- 0.31   0.005% *  0.3679% (0.30   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  16.72 +/- 0.43   0.001% *  1.1644% (0.95   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  13.67 +/- 0.55   0.003% *  0.0526% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  23.20 +/- 0.43   0.000% *  0.3679% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  22.55 +/- 0.40   0.000% *  0.2046% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  22.01 +/- 0.42   0.000% *  0.1081% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.335, support = 2.75, residual support = 18.1:
          QE    PHE   59 - HN    ILE  119   3.52 +/- 0.24  91.268% * 34.2445% (0.22   3.00  19.88) =  85.555%  kept
          HN    HIS  122 - HN    ILE  119   5.32 +/- 0.17   8.339% * 63.2496% (1.00   1.24   7.66) =  14.439%  kept
          HN    PHE   59 - HN    ILE  119   8.95 +/- 0.23   0.356% *  0.5806% (0.57   0.02  19.88) =   0.006%
          HN    PHE   59 - HN    CYS   21  16.15 +/- 0.59   0.010% *  0.1834% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  14.34 +/- 1.32   0.022% *  0.0721% (0.07   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  21.62 +/- 0.59   0.002% *  0.3233% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    CYS   21  23.66 +/- 1.32   0.001% *  0.3233% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  28.50 +/- 1.28   0.000% *  1.0232% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 2.97, residual support = 16.0:
          HN    ALA   20 - HN    CYS   21   4.32 +/- 0.04  99.994% * 99.7874% (0.95   2.97  15.97) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.70 +/- 0.49   0.006% *  0.2126% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.77, residual support = 48.1:
        T HN    ALA  120 - HN    ILE  119   2.81 +/- 0.06  96.424% * 98.9221% (1.00   5.77  48.07) =  99.990%  kept
          HE21  GLN  116 - HN    ILE  119   5.08 +/- 0.75   3.351% *  0.2745% (0.80   0.02  14.85) =   0.010%
          HN    ALA  124 - HN    ILE  119   8.02 +/- 0.26   0.182% *  0.0855% (0.25   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    ILE  119  12.32 +/- 0.26   0.014% *  0.2489% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.39 +/- 1.89   0.025% *  0.0190% (0.06   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  15.40 +/- 0.48   0.004% *  0.0787% (0.23   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  23.26 +/- 0.59   0.000% *  0.1083% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  22.08 +/- 0.88   0.000% *  0.0600% (0.18   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  24.61 +/- 0.71   0.000% *  0.0867% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  20.41 +/- 1.16   0.001% *  0.0214% (0.06   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  26.41 +/- 1.60   0.000% *  0.0678% (0.20   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  26.01 +/- 0.55   0.000% *  0.0270% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.46, residual support = 34.2:
          HB    THR  118 - HN    ILE  119   2.97 +/- 0.11  99.971% * 98.1037% (0.98   5.46  34.17) = 100.000%  kept
          QB    SER   13 - HN    CYS   21  16.20 +/- 2.49   0.012% *  0.0841% (0.23   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  15.88 +/- 0.96   0.005% *  0.0885% (0.24   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  16.75 +/- 0.86   0.003% *  0.1039% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  20.01 +/- 0.47   0.001% *  0.2802% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  18.15 +/- 0.73   0.002% *  0.1039% (0.28   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  22.96 +/- 0.74   0.000% *  0.3288% (0.90   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  16.72 +/- 0.45   0.003% *  0.0476% (0.13   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  19.90 +/- 0.46   0.001% *  0.1136% (0.31   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  24.13 +/- 0.56   0.000% *  0.3288% (0.90   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  24.03 +/- 1.19   0.000% *  0.2662% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  31.40 +/- 1.04   0.000% *  0.1507% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.42, residual support = 249.6:
          HG12  ILE  119 - HN    ILE  119   2.78 +/- 0.20  99.258% * 97.6038% (0.90   7.42 249.59) =  99.999%  kept
          HB2   ASP-  44 - HN    CYS   21   7.78 +/- 0.44   0.237% *  0.0831% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.27 +/- 0.34   0.158% *  0.0895% (0.30   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ILE  119   7.77 +/- 0.28   0.236% *  0.0397% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21   9.60 +/- 0.37   0.065% *  0.0488% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  13.79 +/- 0.63   0.008% *  0.2631% (0.90   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  14.85 +/- 0.58   0.005% *  0.2832% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  12.68 +/- 1.09   0.013% *  0.0742% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  13.62 +/- 1.55   0.010% *  0.0856% (0.29   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  19.55 +/- 1.05   0.001% *  0.2349% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  16.95 +/- 0.59   0.002% *  0.0919% (0.31   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  18.80 +/- 1.45   0.001% *  0.1206% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  22.45 +/- 1.07   0.000% *  0.2908% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  19.21 +/- 0.68   0.001% *  0.0831% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  23.56 +/- 0.81   0.000% *  0.2708% (0.92   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  17.41 +/- 1.45   0.002% *  0.0381% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  20.84 +/- 2.68   0.001% *  0.0316% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  27.21 +/- 0.48   0.000% *  0.1544% (0.53   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.32 +/- 0.46   0.001% *  0.0125% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.37 +/- 2.05   0.000% *  0.1001% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.5, residual support = 249.6:
      O   HB    ILE  119 - HN    ILE  119   2.10 +/- 0.07  99.899% * 97.4698% (0.92   7.50 249.59) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   7.99 +/- 0.67   0.043% *  0.0881% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119   8.99 +/- 0.56   0.017% *  0.1157% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   8.57 +/- 0.23   0.022% *  0.0821% (0.29   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  13.02 +/- 0.50   0.002% *  0.2043% (0.73   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.43 +/- 0.42   0.007% *  0.0303% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  13.98 +/- 0.51   0.001% *  0.0960% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  16.67 +/- 0.35   0.000% *  0.1820% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  11.42 +/- 0.23   0.004% *  0.0176% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  17.61 +/- 0.59   0.000% *  0.2043% (0.73   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.16 +/- 0.48   0.002% *  0.0303% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  13.57 +/- 0.76   0.001% *  0.0303% (0.11   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  21.75 +/- 0.60   0.000% *  0.2716% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.17 +/- 0.49   0.000% *  0.0646% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  22.53 +/- 0.49   0.000% *  0.2598% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  19.53 +/- 1.04   0.000% *  0.0960% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  19.61 +/- 0.56   0.000% *  0.0960% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  18.28 +/- 0.59   0.000% *  0.0575% (0.20   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  24.20 +/- 0.74   0.000% *  0.2789% (0.99   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  20.78 +/- 0.74   0.000% *  0.0646% (0.23   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  21.57 +/- 0.69   0.000% *  0.0821% (0.29   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  22.10 +/- 1.00   0.000% *  0.0858% (0.30   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  22.28 +/- 0.36   0.000% *  0.0366% (0.13   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  30.18 +/- 0.64   0.000% *  0.0557% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.864, support = 6.42, residual support = 212.4:
          HG13  ILE  119 - HN    ILE  119   3.86 +/- 0.10  33.599% * 89.4657% (0.99   6.92 249.59) =  84.061%  kept
          QB    ALA   20 - HN    CYS   21   3.50 +/- 0.02  60.453% *  9.4227% (0.19   3.77  15.97) =  15.930%  kept
          QG1   VAL  107 - HN    ILE  119   5.52 +/- 0.27   4.139% *  0.0516% (0.20   0.02   0.02) =   0.006%
          HG2   LYS+ 121 - HN    ILE  119   7.04 +/- 0.19   0.927% *  0.0651% (0.25   0.02   0.86) =   0.002%
          HD3   LYS+ 112 - HN    ILE  119   9.46 +/- 1.20   0.202% *  0.1583% (0.61   0.02   0.02) =   0.001%
          QG1   VAL   24 - HN    CYS   21   7.69 +/- 0.73   0.628% *  0.0401% (0.15   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    CYS   21  12.21 +/- 0.23   0.034% *  0.0823% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.46 +/- 0.49   0.003% *  0.1583% (0.61   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.89 +/- 0.70   0.003% *  0.0817% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  23.12 +/- 0.55   0.001% *  0.2604% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.14 +/- 1.42   0.001% *  0.1270% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  15.27 +/- 0.38   0.009% *  0.0163% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  22.51 +/- 0.83   0.001% *  0.0500% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.22 +/- 0.50   0.001% *  0.0206% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.303, support = 0.019, residual support = 6.85:
          HG3   LYS+  74 - HN    CYS   21   4.83 +/- 0.37  73.784% *  3.7747% (0.23   0.02   9.82) =  65.281%  kept
          HB    VAL   75 - HN    CYS   21   6.18 +/- 0.30  18.763% *  3.9726% (0.24   0.02   2.49) =  17.471%  kept
          QD1   LEU   67 - HN    ILE  119   8.13 +/- 0.33   3.390% * 15.1858% (0.92   0.02   0.02) =  12.067%  kept
          QD2   LEU   40 - HN    ILE  119  10.90 +/- 0.42   0.586% * 15.5616% (0.95   0.02   0.02) =   2.138%
          QG2   ILE  103 - HN    ILE  119  11.22 +/- 0.29   0.480% * 13.7407% (0.84   0.02   0.02) =   1.547%
          QD2   LEU   71 - HN    CYS   21   8.75 +/- 0.33   2.209% *  1.2962% (0.08   0.02   0.02) =   0.671%
          QD2   LEU   40 - HN    CYS   21  12.70 +/- 0.61   0.240% *  4.9173% (0.30   0.02   0.02) =   0.277%
          QD1   LEU   67 - HN    CYS   21  13.20 +/- 0.23   0.182% *  4.7985% (0.29   0.02   0.02) =   0.204%
          QD1   ILE  103 - HN    ILE  119  14.03 +/- 0.97   0.146% *  2.8810% (0.18   0.02   0.02) =   0.099%
          HG3   LYS+  74 - HN    ILE  119  18.30 +/- 0.72   0.027% * 11.9456% (0.73   0.02   0.02) =   0.075%
          QG2   ILE  103 - HN    CYS   21  16.13 +/- 0.49   0.055% *  4.3419% (0.26   0.02   0.02) =   0.056%
          HB    VAL   75 - HN    ILE  119  19.40 +/- 0.54   0.018% * 12.5720% (0.76   0.02   0.02) =   0.053%
          QD2   LEU   71 - HN    ILE  119  16.58 +/- 0.46   0.046% *  4.1020% (0.25   0.02   0.02) =   0.045%
          QD1   ILE  103 - HN    CYS   21  15.45 +/- 0.64   0.073% *  0.9104% (0.06   0.02   0.02) =   0.016%
    Distance limit 3.78 A violated in 20 structures by 0.83 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.31, residual support = 34.2:
          QG2   THR  118 - HN    ILE  119   3.60 +/- 0.17  99.984% * 99.9000% (0.57   6.31  34.17) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.53 +/- 0.40   0.016% *  0.1000% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.801, support = 3.1, residual support = 39.7:
          QB    ALA  120 - HN    ILE  119   4.33 +/- 0.08  45.138% * 56.6192% (0.80   3.73  48.07) =  77.484%  kept
          HB3   LEU  115 - HN    ILE  119   4.85 +/- 0.44  25.594% * 15.9129% (0.95   0.89  12.36) =  12.348%  kept
          HG    LEU  115 - HN    ILE  119   5.39 +/- 0.40  12.822% * 20.3315% (0.80   1.34  12.36) =   7.904%  kept
          HG    LEU   73 - HN    CYS   21   6.09 +/- 1.52  15.356% *  4.8506% (0.15   1.66   5.43) =   2.258%
          HG    LEU   67 - HN    ILE  119  10.83 +/- 0.72   0.209% *  0.3763% (0.99   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    ILE  119   8.98 +/- 0.54   0.601% *  0.1172% (0.31   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE  119  13.28 +/- 0.51   0.056% *  0.3591% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  14.41 +/- 0.56   0.034% *  0.2149% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  12.57 +/- 0.70   0.080% *  0.0665% (0.18   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  16.33 +/- 1.37   0.018% *  0.1135% (0.30   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.90 +/- 0.58   0.013% *  0.1189% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  15.96 +/- 0.76   0.018% *  0.0679% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  20.26 +/- 1.22   0.005% *  0.2303% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  19.46 +/- 0.98   0.006% *  0.1848% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.46 +/- 0.41   0.008% *  0.1135% (0.30   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.16 +/- 0.76   0.012% *  0.0370% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.51 +/- 0.47   0.021% *  0.0210% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  20.59 +/- 0.94   0.004% *  0.0961% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  21.38 +/- 0.50   0.003% *  0.0961% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  23.46 +/- 0.67   0.002% *  0.0728% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.74, residual support = 2.49:
          QG2   VAL   75 - HN    CYS   21   3.97 +/- 0.27  98.915% * 98.2342% (1.00   1.74   2.49) =  99.993%  kept
          QG2   VAL   42 - HN    CYS   21  10.72 +/- 0.87   0.448% *  1.0706% (0.95   0.02   0.02) =   0.005%
          QG2   VAL   42 - HN    ILE  119   9.39 +/- 0.52   0.621% *  0.3383% (0.30   0.02   0.02) =   0.002%
          QG2   VAL   75 - HN    ILE  119  17.39 +/- 0.57   0.016% *  0.3568% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.74, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.08 +/- 0.06  99.998% * 98.1179% (0.84   3.74  15.24) = 100.000%  kept
          HB3   LEU   31 - HN    ALA   20  13.97 +/- 0.25   0.001% *  0.1941% (0.31   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    ALA   20  17.14 +/- 0.38   0.000% *  0.5640% (0.90   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  18.86 +/- 0.64   0.000% *  0.2145% (0.34   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.89 +/- 0.43   0.000% *  0.2820% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.66 +/- 0.52   0.000% *  0.6275% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 3.68, residual support = 25.5:
          QG2   ILE   19 - HN    ALA   20   3.03 +/- 0.17  99.992% * 99.7549% (0.99   3.68  25.50) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  14.84 +/- 1.10   0.008% *  0.2451% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.69, residual support = 170.0:
      O   HB    ILE   19 - HN    ILE   19   2.12 +/- 0.09  99.751% * 97.9378% (0.97   5.69 170.04) =  99.999%  kept
          HB2   GLN   17 - HN    ILE   19   5.99 +/- 0.34   0.213% *  0.2591% (0.73   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ILE   19   8.42 +/- 0.51   0.027% *  0.2591% (0.73   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  12.84 +/- 0.37   0.002% *  0.3294% (0.92   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  11.14 +/- 0.48   0.005% *  0.1217% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  15.86 +/- 0.27   0.001% *  0.3200% (0.90   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  18.87 +/- 1.17   0.000% *  0.3537% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  16.73 +/- 0.62   0.000% *  0.0992% (0.28   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  17.93 +/- 0.52   0.000% *  0.0890% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  21.47 +/- 0.56   0.000% *  0.2309% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.726, support = 6.01, residual support = 170.0:
          HG12  ILE   19 - HN    ILE   19   3.58 +/- 0.23  85.331% * 96.6553% (0.73   6.01 170.04) =  99.967%  kept
          HG    LEU   73 - HN    ILE   19   5.99 +/- 0.63   4.834% *  0.3544% (0.80   0.02   4.00) =   0.021%
          HB3   LYS+  74 - HN    ILE   19   5.36 +/- 0.39   8.939% *  0.0775% (0.18   0.02   5.27) =   0.008%
          QB    ALA   61 - HN    ILE   19   8.93 +/- 0.55   0.425% *  0.4272% (0.97   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE   19   9.87 +/- 0.50   0.214% *  0.4426% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ILE   19  12.55 +/- 0.66   0.052% *  0.4187% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  12.12 +/- 1.26   0.081% *  0.1366% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE   19  11.49 +/- 0.48   0.085% *  0.0985% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  15.38 +/- 0.29   0.014% *  0.3544% (0.80   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  17.67 +/- 0.79   0.006% *  0.3697% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  16.48 +/- 0.49   0.010% *  0.1366% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  21.11 +/- 0.69   0.002% *  0.3041% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  18.66 +/- 0.39   0.004% *  0.1366% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  19.09 +/- 0.98   0.004% *  0.0876% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.69, residual support = 170.0:
          HG13  ILE   19 - HN    ILE   19   3.59 +/- 0.30  91.844% * 97.9241% (0.97   5.69 170.04) =  99.971%  kept
          HG    LEU   71 - HN    ILE   19   6.57 +/- 1.01   5.085% *  0.3495% (0.98   0.02   0.02) =   0.020%
          HG2   LYS+  74 - HN    ILE   19   7.29 +/- 0.65   1.828% *  0.3534% (0.99   0.02   5.27) =   0.007%
          QG2   THR   39 - HN    ILE   19   9.05 +/- 0.91   0.456% *  0.2449% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19   8.17 +/- 0.56   0.683% *  0.0482% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  12.34 +/- 0.53   0.063% *  0.0889% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  15.83 +/- 0.97   0.014% *  0.3557% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  16.02 +/- 0.68   0.013% *  0.2449% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  17.37 +/- 2.07   0.010% *  0.1466% (0.41   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  22.56 +/- 1.01   0.002% *  0.1338% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  21.93 +/- 0.49   0.002% *  0.1100% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.85, residual support = 23.6:
          QG1   VAL   18 - HN    ILE   19   2.82 +/- 0.40  90.831% * 96.3985% (0.34   4.86  23.63) =  99.917%  kept
          QD1   LEU   71 - HN    ILE   19   5.17 +/- 1.33   8.975% *  0.7991% (0.69   0.02   0.02) =   0.082%
          QG1   VAL   70 - HN    ILE   19   8.74 +/- 0.88   0.182% *  0.5216% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ILE   19  14.33 +/- 0.66   0.007% *  0.7991% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  16.48 +/- 0.47   0.003% *  1.1227% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  16.01 +/- 0.71   0.003% *  0.3591% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.856, support = 4.72, residual support = 44.8:
          QG2   VAL   18 - HN    ILE   19   3.64 +/- 0.42  45.627% * 57.4899% (0.97   4.88  23.63) =  79.756%  kept
          QD1   ILE   19 - HN    ILE   19   4.39 +/- 0.11  13.366% * 37.5722% (0.57   5.44 170.04) =  15.269%  kept
          QD2   LEU   73 - HN    ILE   19   3.69 +/- 0.25  40.113% *  4.0747% (0.22   1.50   4.00) =   4.970%
          QG1   VAL   43 - HN    ILE   19   7.73 +/- 0.35   0.469% *  0.2419% (0.99   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    ILE   19   8.99 +/- 0.44   0.189% *  0.2189% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE   19   9.24 +/- 0.39   0.159% *  0.2189% (0.90   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE   19  10.86 +/- 0.56   0.066% *  0.0832% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  14.56 +/- 0.72   0.010% *  0.1003% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 2 structures by 0.01 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.726, support = 4.44, residual support = 25.5:
          HG12  ILE   19 - HN    ALA   20   4.20 +/- 0.55  61.973% * 95.5269% (0.73   4.44  25.50) =  99.913%  kept
          HB3   LYS+  74 - HN    ALA   20   4.62 +/- 0.16  34.715% *  0.1037% (0.18   0.02   8.13) =   0.061%
          HG    LEU   73 - HN    ALA   20   7.70 +/- 1.42   2.875% *  0.4740% (0.80   0.02   0.02) =   0.023%
          QB    ALA   61 - HN    ALA   20  10.41 +/- 0.55   0.277% *  0.5713% (0.97   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ALA   20  14.20 +/- 0.51   0.042% *  0.5920% (1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   20  15.73 +/- 0.81   0.023% *  0.5600% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   20  16.53 +/- 0.68   0.017% *  0.4945% (0.84   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  16.77 +/- 0.31   0.015% *  0.4740% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  16.45 +/- 1.29   0.020% *  0.1827% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  15.78 +/- 0.52   0.022% *  0.1318% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   20  17.49 +/- 0.36   0.011% *  0.1827% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  19.58 +/- 0.43   0.006% *  0.1827% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  24.78 +/- 0.68   0.001% *  0.4066% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  23.31 +/- 0.92   0.002% *  0.1172% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 3 structures by 0.05 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.246, support = 2.61, residual support = 9.24:
          HB3   LYS+  74 - HN    CYS   21   2.82 +/- 0.27  90.169% * 23.0108% (0.18   2.75   9.82) =  87.756%  kept
          HG    LEU   73 - HN    CYS   21   6.09 +/- 1.52   4.272% * 63.4862% (0.80   1.66   5.43) =  11.472%  kept
          HB3   LEU  115 - HN    ILE  119   4.85 +/- 0.44   4.333% *  4.1246% (0.10   0.89  12.36) =   0.756%
          HG12  ILE   19 - HN    CYS   21   7.16 +/- 0.19   0.378% *  0.6931% (0.73   0.02   0.12) =   0.011%
          HD3   LYS+ 121 - HN    ILE  119   7.04 +/- 1.04   0.554% *  0.0597% (0.06   0.02   0.86) =   0.001%
          QG    LYS+  66 - HN    ILE  119   8.98 +/- 0.54   0.097% *  0.2853% (0.30   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    CYS   21  11.37 +/- 0.53   0.022% *  0.9211% (0.97   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    CYS   21  12.36 +/- 0.74   0.017% *  0.7972% (0.84   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE  119  10.26 +/- 0.26   0.043% *  0.2415% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  119  10.76 +/- 0.21   0.032% *  0.2911% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  12.57 +/- 0.70   0.013% *  0.3016% (0.32   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.51 +/- 0.47   0.004% *  0.9544% (1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  14.98 +/- 0.30   0.004% *  0.7643% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    CYS   21  13.27 +/- 0.36   0.010% *  0.2946% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE  119  10.83 +/- 0.72   0.031% *  0.0671% (0.07   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.16 +/- 0.76   0.002% *  0.9029% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  13.28 +/- 0.51   0.009% *  0.0931% (0.10   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  16.33 +/- 1.37   0.003% *  0.2946% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.90 +/- 0.58   0.002% *  0.2125% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.46 +/- 0.41   0.001% *  0.2946% (0.31   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  19.46 +/- 0.98   0.001% *  0.2415% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  23.46 +/- 0.67   0.000% *  0.6556% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  20.26 +/- 1.22   0.001% *  0.2072% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  21.18 +/- 0.55   0.001% *  0.2190% (0.23   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  22.62 +/- 0.85   0.000% *  0.1889% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  19.00 +/- 0.49   0.001% *  0.0528% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  27.12 +/- 1.52   0.000% *  0.2519% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  27.11 +/- 1.06   0.000% *  0.0931% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 84.0:
      O   QG    GLN   17 - HE21  GLN   17   2.20 +/- 0.11  99.995% * 97.5015% (0.48   3.17  84.04) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  12.19 +/- 0.91   0.004% *  0.5435% (0.43   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  20.47 +/- 2.32   0.000% *  0.6507% (0.51   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  20.93 +/- 1.86   0.000% *  0.7175% (0.57   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  18.07 +/- 1.65   0.000% *  0.2491% (0.20   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  19.64 +/- 1.01   0.000% *  0.1995% (0.16   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  28.89 +/- 2.02   0.000% *  0.1383% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 5.62, residual support = 50.9:
        T HN    VAL   18 - HN    GLN   17   4.42 +/- 0.02  99.359% * 99.6644% (0.73   5.62  50.94) =  99.998%  kept
          HN    SER   13 - HN    GLN   17  10.42 +/- 0.68   0.641% *  0.3356% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.62, residual support = 50.9:
        T HN    GLN   17 - HN    VAL   18   4.42 +/- 0.02  99.740% * 99.2389% (0.89   5.62  50.94) =  99.999%  kept
          HD21  ASN   69 - HN    VAL   18  12.08 +/- 0.75   0.258% *  0.3818% (0.96   0.02   0.02) =   0.001%
          HN    TRP   87 - HN    VAL   18  27.52 +/- 0.62   0.002% *  0.3793% (0.96   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 2.31, residual support = 5.27:
        T HN    LYS+  74 - HN    ILE   19   4.53 +/- 0.10  99.552% * 95.6648% (0.41   2.31   5.27) =  99.992%  kept
          HN    THR   46 - HN    ILE   19  11.41 +/- 0.32   0.396% *  1.6822% (0.84   0.02   0.02) =   0.007%
          HN    MET   92 - HN    ILE   19  17.94 +/- 1.65   0.030% *  1.9436% (0.97   0.02   0.02) =   0.001%
          HN    MET   11 - HN    ILE   19  20.66 +/- 2.15   0.015% *  0.3107% (0.15   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  22.65 +/- 0.42   0.006% *  0.3986% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 2.88, residual support = 2.86:
          HN    THR   26 - HN    VAL   24   4.43 +/- 0.11  92.332% * 99.4355% (0.87   2.88   2.86) =  99.987%  kept
          HN    LEU   80 - HN    VAL   24   6.74 +/- 0.22   7.595% *  0.1577% (0.20   0.02   2.25) =   0.013%
          HN    ALA   34 - HN    VAL   24  15.07 +/- 0.19   0.060% *  0.1078% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  19.73 +/- 0.64   0.012% *  0.2990% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 0.98, support = 4.38, residual support = 25.5:
          HN    THR   23 - HN    VAL   24   4.23 +/- 0.07  95.895% * 98.2420% (0.98   4.38  25.46) =  99.988%  kept
          HE3   TRP   27 - HN    VAL   24   7.56 +/- 0.13   2.981% *  0.3497% (0.76   0.02  22.15) =   0.011%
          HD2   HIS   22 - HN    VAL   24   9.01 +/- 0.29   1.053% *  0.1019% (0.22   0.02   0.02) =   0.001%
          QE    PHE   95 - HN    VAL   24  17.76 +/- 0.61   0.018% *  0.4536% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  15.45 +/- 1.37   0.046% *  0.1561% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  23.19 +/- 0.50   0.004% *  0.3823% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  22.96 +/- 0.41   0.004% *  0.3144% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HE1   TRP   87 - HE1   TRP   27  15.39 +/- 1.08 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 4.28 A violated in 20 structures by 11.11 A, eliminated.
    Peak unassigned.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.7, residual support = 17.5:
        T HN    ALA   34 - HN    ASN   35   2.48 +/- 0.09  97.491% * 98.7083% (0.98   3.70  17.54) =  99.993%  kept
          HN    GLN   32 - HN    ASN   35   4.57 +/- 0.13   2.508% *  0.2863% (0.53   0.02   8.38) =   0.007%
        T HN    LEU   80 - HN    ASN   35  21.14 +/- 0.35   0.000% *  0.5024% (0.92   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  27.25 +/- 0.64   0.000% *  0.3952% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  26.84 +/- 0.54   0.000% *  0.1077% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 3.97, residual support = 19.1:
        T HN    SER   37 - HN    GLU-  36   2.62 +/- 0.12  99.998% * 98.8476% (0.98   3.97  19.11) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.72 +/- 0.29   0.002% *  0.2087% (0.41   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  25.26 +/- 0.45   0.000% *  0.4404% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  29.34 +/- 0.87   0.000% *  0.5032% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 5.62, residual support = 30.2:
        T HN    LYS+  38 - HN    THR   39   2.78 +/- 0.25  99.961% * 99.5362% (1.00   5.62  30.23) = 100.000%  kept
          HN    LEU   31 - HN    THR   39  10.77 +/- 0.40   0.038% *  0.0987% (0.28   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  19.97 +/- 0.64   0.001% *  0.1211% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.42 +/- 0.69   0.000% *  0.2439% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 1 structures by 0.01 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.4:
          HN    MET   96 - HN    VAL   43   2.80 +/- 0.13  99.826% * 99.8546% (0.76   4.00  16.41) = 100.000%  kept
          HN    PHE   72 - HN    VAL   43   8.11 +/- 0.13   0.174% *  0.1454% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 3.88, residual support = 6.99:
          HN    LEU   73 - HN    ASP-  44   3.78 +/- 0.20  96.289% * 98.1478% (0.38   3.88   6.99) =  99.980%  kept
          HN    VAL   42 - HN    ASP-  44   6.56 +/- 0.12   3.642% *  0.5063% (0.38   0.02   0.02) =   0.020%
          HN    LYS+ 106 - HN    ASP-  44  12.70 +/- 0.17   0.069% *  1.3459% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.47, residual support = 33.5:
          HN    VAL   42 - HN    VAL   43   4.49 +/- 0.10  54.476% * 73.6322% (0.38   6.40  40.47) =  77.671%  kept
          HN    LEU   73 - HN    VAL   43   4.64 +/- 0.13  44.754% * 25.7559% (0.38   2.24   9.21) =  22.320%  kept
          HN    LYS+ 106 - HN    VAL   43   9.14 +/- 0.18   0.770% *  0.6118% (1.00   0.02   0.02) =   0.009%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.762, support = 0.0196, residual support = 0.0196:
          HN    LEU   63 - HN    ASP-  44  10.59 +/- 0.24  53.444% * 15.3753% (0.65   0.02   0.02) =  45.991%  kept
          HN    ILE   56 - HN    ASP-  44  12.15 +/- 0.32  23.556% * 18.1638% (0.76   0.02   0.02) =  23.947%  kept
          HN    LYS+ 111 - HN    ASP-  44  12.82 +/- 0.36  17.091% * 23.7147% (1.00   0.02   0.02) =  22.685%  kept
          HN    ALA   84 - HN    ASP-  44  16.24 +/- 0.28   4.132% * 23.7147% (1.00   0.02   0.02) =   5.485%  kept
          HE21  GLN   32 - HN    ASP-  44  18.84 +/- 0.93   1.777% * 19.0315% (0.80   0.02   0.02) =   1.893%
    Distance limit 4.49 A violated in 20 structures by 5.07 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.41, support = 0.747, residual support = 2.91:
          QD    PHE   60 - HN    ASP-  44   4.78 +/- 0.09  93.953% * 85.8530% (0.41   0.75   2.92) =  99.632%  kept
          QE    PHE   59 - HN    ASP-  44   8.32 +/- 1.37   5.262% *  5.1407% (0.92   0.02   0.02) =   0.334%
          HN    PHE   59 - HN    ASP-  44  11.56 +/- 0.25   0.474% *  3.1528% (0.57   0.02   0.02) =   0.018%
          HN    LYS+  66 - HN    ASP-  44  12.93 +/- 0.27   0.242% *  4.9943% (0.90   0.02   0.02) =   0.015%
          HN    LYS+  81 - HN    ASP-  44  16.10 +/- 0.77   0.069% *  0.8592% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.79 A violated in 2 structures by 0.03 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.671, support = 0.0199, residual support = 0.0199:
          HN    GLN   17 - HN    ASP-  62  11.74 +/- 0.57  71.807% * 29.1578% (0.63   0.02   0.02) =  67.355%  kept
          HD21  ASN   69 - HN    ASP-  62  13.86 +/- 0.88  27.805% * 36.0114% (0.77   0.02   0.02) =  32.211%  kept
          HN    TRP   87 - HN    ASP-  62  28.12 +/- 0.25   0.387% * 34.8308% (0.75   0.02   0.02) =   0.434%
    Distance limit 3.62 A violated in 20 structures by 7.48 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.86, residual support = 42.5:
        T HN    LEU   63 - HN    ASP-  62   2.42 +/- 0.03  99.966% * 97.1711% (0.32   5.86  42.51) = 100.000%  kept
        T HN    ILE   56 - HN    ASP-  62   9.37 +/- 0.15   0.030% *  0.4301% (0.42   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ASP-  62  13.20 +/- 0.21   0.004% *  0.7664% (0.75   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  25.87 +/- 0.30   0.000% *  0.7664% (0.75   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  27.31 +/- 0.57   0.000% *  0.8660% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.912, support = 0.0198, residual support = 0.0198:
          HN    PHE   45 - HN    LEU   73   7.67 +/- 0.21  98.872% * 48.0011% (0.92   0.02   0.02) =  98.779%  kept
          HN    ALA  110 - HN    LEU   73  16.21 +/- 0.35   1.128% * 51.9989% (1.00   0.02   0.02) =   1.221%
    Distance limit 4.23 A violated in 20 structures by 3.44 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.432, support = 3.85, residual support = 19.4:
          HN    VAL   75 - HN    ASP-  76   4.38 +/- 0.09  71.699% * 42.8526% (0.28   4.64  26.94) =  65.712%  kept
          HN    ASP-  78 - HN    ASP-  76   5.12 +/- 0.10  28.293% * 56.6647% (0.73   2.35   5.07) =  34.288%  kept
          HN    LYS+ 112 - HN    ASP-  76  20.22 +/- 0.32   0.007% *  0.2979% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  29.50 +/- 3.07   0.001% *  0.1848% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 0.867, support = 5.45, residual support = 25.7:
        T HN    LYS+ 111 - HN    LYS+ 112   4.04 +/- 0.08  98.266% * 98.8670% (0.87   5.45  25.73) =  99.996%  kept
          HN    ILE   56 - HN    LYS+ 112   8.02 +/- 0.44   1.670% *  0.2035% (0.49   0.02   0.63) =   0.003%
          HN    LEU   63 - HN    LYS+ 112  13.83 +/- 0.41   0.062% *  0.1569% (0.38   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  23.66 +/- 0.96   0.003% *  0.3627% (0.87   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  33.75 +/- 1.05   0.000% *  0.4098% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.85 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 = 0.441, support = 0.0197, residual support = 0.0197:
          QD    PHE   55 - HN    GLN  116   8.32 +/- 0.45  70.890% * 11.5373% (0.28   0.02   0.02) =  52.797%  kept
          QD    PHE   60 - HN    GLN  116   9.85 +/- 0.36  26.258% * 26.8436% (0.65   0.02   0.02) =  45.501%  kept
          HN    LYS+  66 - HN    GLN  116  14.61 +/- 0.38   2.564% *  8.2119% (0.20   0.02   0.02) =   1.359%
          HE3   TRP   27 - HN    GLN  116  21.54 +/- 0.43   0.241% * 14.1544% (0.34   0.02   0.02) =   0.220%
          HN    LYS+  81 - HN    GLN  116  28.26 +/- 1.09   0.048% * 39.2529% (0.95   0.02   0.02) =   0.122%
    Distance limit 4.57 A violated in 20 structures by 3.32 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.783, support = 4.95, residual support = 41.5:
      O   HA    ILE  119 - HN    ALA  120   3.63 +/- 0.01  79.667% * 60.8140% (0.80   5.12  48.07) =  86.118%  kept
          HA    THR  118 - HN    ALA  120   4.57 +/- 0.15  20.274% * 38.5217% (0.67   3.88   0.54) =  13.882%  kept
          HD3   PRO   58 - HN    ALA  120  12.58 +/- 0.32   0.047% *  0.0542% (0.18   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  16.30 +/- 0.36   0.010% *  0.1125% (0.38   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  23.21 +/- 0.54   0.001% *  0.1125% (0.38   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  27.66 +/- 0.62   0.000% *  0.2191% (0.74   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  29.07 +/- 0.78   0.000% *  0.1660% (0.56   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 1.01, residual support = 5.88:
          HA    SER  117 - HN    ALA  120   3.74 +/- 0.10  99.834% * 96.4081% (0.92   1.01   5.88) =  99.998%  kept
          HA    ASP-  62 - HN    ALA  120  11.44 +/- 0.59   0.135% *  1.0070% (0.49   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA  120  14.65 +/- 0.29   0.029% *  0.7869% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  22.78 +/- 0.43   0.002% *  0.3352% (0.16   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  29.27 +/- 0.66   0.000% *  1.4628% (0.71   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 3.83, residual support = 118.4:
      O   HG3   GLN  116 - HE21  GLN  116   3.49 +/- 0.31  99.995% * 99.0668% (0.69   3.83 118.40) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  18.79 +/- 0.54   0.005% *  0.1675% (0.22   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  29.53 +/- 1.20   0.000% *  0.4564% (0.61   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  32.31 +/- 1.45   0.000% *  0.3093% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 0.52, support = 2.75, residual support = 64.5:
          HG    LEU  115 - HE21  GLN  116   5.73 +/- 0.73  21.280% * 24.5454% (0.41   3.59 100.83) =  43.533%  kept
          QB    ALA  120 - HE21  GLN  116   4.58 +/- 1.05  73.867% *  5.8720% (0.41   0.86   0.29) =  36.150%  kept
          HB3   LEU  115 - HE21  GLN  116   7.36 +/- 0.43   3.599% * 67.6741% (0.95   4.30 100.83) =  20.301%  kept
          QG    LYS+  66 - HE21  GLN  116  10.38 +/- 1.11   0.500% *  0.2285% (0.69   0.02   0.02) =   0.010%
          QB    ALA   61 - HE21  GLN  116  11.74 +/- 0.55   0.227% *  0.1135% (0.34   0.02   0.02) =   0.002%
          QB    ALA  110 - HE21  GLN  116  11.00 +/- 0.54   0.388% *  0.0583% (0.18   0.02   0.02) =   0.002%
          HG    LEU   67 - HE21  GLN  116  14.41 +/- 1.13   0.071% *  0.2885% (0.87   0.02   0.02) =   0.002%
          HG    LEU   40 - HE21  GLN  116  18.00 +/- 0.96   0.017% *  0.3147% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE21  GLN  116  16.31 +/- 1.20   0.031% *  0.1619% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HE21  GLN  116  23.66 +/- 0.94   0.003% *  0.2885% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  18.95 +/- 0.99   0.013% *  0.0741% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  25.04 +/- 1.48   0.003% *  0.3147% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  30.70 +/- 1.44   0.001% *  0.0658% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.478, support = 1.2, residual support = 0.645:
          QB    GLU- 114 - HN    SER  117   4.78 +/- 0.13  47.685% * 59.6030% (0.61   1.06   0.72) =  68.699%  kept
          HB    ILE  119 - HN    SER  117   4.82 +/- 0.10  45.623% * 28.1134% (0.20   1.53   0.49) =  31.003%  kept
          HB2   LYS+ 111 - HN    SER  117   6.70 +/- 0.48   6.659% *  1.8509% (1.00   0.02   0.02) =   0.298%
          HB3   PRO   68 - HN    SER  117  21.41 +/- 0.57   0.006% *  1.5494% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    SER  117  22.82 +/- 1.02   0.004% *  1.8509% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    SER  117  23.03 +/- 0.47   0.004% *  1.8509% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    SER  117  20.42 +/- 0.51   0.008% *  0.8317% (0.45   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    SER  117  22.57 +/- 0.45   0.004% *  0.9760% (0.53   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.99 +/- 0.71   0.003% *  0.4626% (0.25   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  27.16 +/- 0.70   0.001% *  0.8317% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  32.26 +/- 0.66   0.001% *  1.7124% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  25.54 +/- 0.43   0.002% *  0.3671% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.863, support = 2.16, residual support = 2.78:
          HG    LEU  115 - HN    SER  117   5.16 +/- 0.67  43.141% * 33.6379% (0.84   2.20   1.92) =  46.783%  kept
          HB3   LEU  115 - HN    SER  117   5.69 +/- 0.17  21.416% * 45.7630% (0.92   2.71   1.92) =  31.596%  kept
          QB    ALA  120 - HN    SER  117   5.25 +/- 0.11  35.017% * 19.1506% (0.84   1.25   5.88) =  21.619%  kept
          HG    LEU   67 - HN    SER  117  14.54 +/- 0.65   0.082% *  0.3588% (0.98   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    SER  117  12.24 +/- 0.59   0.218% *  0.1018% (0.28   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  16.21 +/- 0.55   0.043% *  0.3379% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    SER  117  17.57 +/- 0.60   0.026% *  0.2220% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  16.26 +/- 0.67   0.041% *  0.0565% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  21.70 +/- 1.34   0.008% *  0.2073% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  22.12 +/- 0.96   0.007% *  0.1641% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.93 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 = 0.998, support = 3.39, residual support = 17.2:
          HB2   PHE   97 - HN    LEU  104   3.57 +/- 0.20  95.668% * 98.3294% (1.00   3.39  17.18) =  99.985%  kept
          QE    LYS+ 106 - HN    LEU  104   7.40 +/- 0.99   1.871% *  0.4445% (0.76   0.02   0.02) =   0.009%
          QE    LYS+  99 - HN    LEU  104   7.00 +/- 0.63   2.389% *  0.2183% (0.38   0.02  19.19) =   0.006%
          HB3   TRP   27 - HN    LEU  104  16.23 +/- 0.63   0.012% *  0.5765% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  15.46 +/- 0.33   0.015% *  0.3293% (0.57   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  12.95 +/- 0.74   0.045% *  0.1019% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 0.939, support = 5.46, residual support = 37.0:
          HG12  ILE  103 - HN    LEU  104   4.24 +/- 0.42  72.500% * 83.4015% (0.97   5.66  39.17) =  94.493%  kept
          QB    LYS+ 102 - HN    LEU  104   5.17 +/- 0.27  23.258% * 15.0980% (0.49   2.03   0.24) =   5.487%  kept
          HB    VAL   41 - HN    LEU  104   8.15 +/- 1.44   3.953% *  0.3052% (1.00   0.02   0.02) =   0.019%
          QB    LYS+  66 - HN    LEU  104  13.41 +/- 0.37   0.075% *  0.2887% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  11.89 +/- 0.33   0.157% *  0.1041% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  16.37 +/- 0.35   0.022% *  0.2332% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  18.34 +/- 0.30   0.011% *  0.2216% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  16.66 +/- 0.22   0.020% *  0.1145% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  22.53 +/- 0.77   0.003% *  0.2332% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 1.53, residual support = 27.5:
          QB    LEU   98 - HN    ILE  103   4.26 +/- 0.19  99.644% * 87.3321% (0.61   1.53  27.46) =  99.994%  kept
          HD3   LYS+ 121 - HN    ILE  103  11.98 +/- 1.09   0.242% *  1.6845% (0.90   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ILE  103  15.80 +/- 0.33   0.039% *  0.7722% (0.41   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE  103  17.80 +/- 0.24   0.019% *  1.5040% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  20.44 +/- 0.37   0.008% *  1.6292% (0.87   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  103  20.65 +/- 0.93   0.008% *  1.6292% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.40 +/- 0.21   0.011% *  1.0634% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  103  21.91 +/- 1.56   0.006% *  1.4354% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  103  22.88 +/- 1.45   0.004% *  1.8410% (0.98   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  18.79 +/- 0.84   0.014% *  0.4683% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  25.29 +/- 2.38   0.003% *  0.6407% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.862, support = 5.38, residual support = 36.8:
          QD2   LEU  104 - HN    ILE  103   4.43 +/- 0.59  45.622% * 81.4167% (1.00   5.71  39.17) =  80.090%  kept
          QD1   LEU   98 - HN    ILE  103   4.24 +/- 0.69  51.875% * 17.7969% (0.31   4.04  27.46) =  19.907%  kept
          QG1   VAL   41 - HN    ILE  103   7.55 +/- 0.42   1.837% *  0.0564% (0.20   0.02   0.02) =   0.002%
          QG1   VAL   43 - HN    ILE  103   9.04 +/- 0.54   0.630% *  0.0973% (0.34   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ILE  103  17.31 +/- 0.45   0.011% *  0.2753% (0.97   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  16.84 +/- 0.90   0.015% *  0.1615% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  17.90 +/- 0.43   0.009% *  0.1959% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.86, residual support = 219.0:
          QD1   LEU  104 - HN    LEU  104   3.84 +/- 0.58  95.679% * 97.1162% (0.41   6.86 219.07) =  99.987%  kept
          QG2   VAL   41 - HN    LEU  104   7.12 +/- 0.35   3.018% *  0.1363% (0.20   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    LEU  104   9.37 +/- 0.34   0.551% *  0.6645% (0.97   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    LEU  104   9.68 +/- 0.84   0.516% *  0.5000% (0.73   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    LEU  104  11.62 +/- 0.46   0.156% *  0.6645% (0.97   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU  104  13.17 +/- 0.42   0.072% *  0.4730% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  104  19.05 +/- 0.99   0.008% *  0.4454% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 0.553, support = 4.37, residual support = 19.8:
          QD2   LEU  104 - HN    ASP- 105   4.29 +/- 0.27  62.694% * 38.0577% (0.18   6.66  34.31) =  50.980%  kept
          QD1   LEU   98 - HN    ASP- 105   4.78 +/- 0.72  37.260% * 61.5725% (0.95   1.99   4.76) =  49.019%  kept
          QG2   ILE   19 - HN    ASP- 105  14.45 +/- 0.43   0.046% *  0.3697% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.94 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 = 0.897, support = 4.05, residual support = 131.3:
          HG3   LYS+ 106 - HN    LYS+ 106   2.57 +/- 0.26  99.336% * 95.5626% (0.90   4.05 131.31) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   6.83 +/- 0.87   0.458% *  0.0922% (0.18   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 106   8.61 +/- 0.32   0.086% *  0.2165% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 106  11.30 +/- 0.58   0.019% *  0.5254% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   9.23 +/- 1.19   0.066% *  0.1172% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  12.42 +/- 1.08   0.012% *  0.5219% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  15.05 +/- 0.67   0.003% *  0.5254% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  12.71 +/- 0.31   0.008% *  0.1796% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  15.00 +/- 0.43   0.003% *  0.5081% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  13.28 +/- 0.79   0.006% *  0.0812% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.94 +/- 0.43   0.001% *  0.5254% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  22.01 +/- 1.26   0.000% *  0.5161% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  18.64 +/- 0.86   0.001% *  0.1625% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.50 +/- 0.24   0.001% *  0.1042% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  26.35 +/- 1.92   0.000% *  0.3617% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.83, residual support = 21.7:
          QG1   VAL  107 - HN    LYS+ 106   3.37 +/- 0.16  99.903% * 97.0269% (0.53   2.83  21.66) =  99.999%  kept
          HG    LEU   63 - HN    LYS+ 106  11.73 +/- 0.47   0.060% *  0.9472% (0.73   0.02   0.02) =   0.001%
          QG2   VAL   24 - HN    LYS+ 106  16.58 +/- 0.71   0.007% *  1.1315% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LYS+ 106  15.39 +/- 0.63   0.012% *  0.4026% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  15.68 +/- 0.88   0.011% *  0.2013% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  17.08 +/- 1.33   0.007% *  0.2904% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.2, residual support = 60.5:
          QG1   VAL  108 - HN    VAL  108   3.68 +/- 0.11  99.880% * 99.3901% (0.98   4.20  60.48) = 100.000%  kept
          QD1   LEU   40 - HN    VAL  108  12.81 +/- 0.34   0.058% *  0.2352% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL  108  13.83 +/- 0.45   0.038% *  0.2542% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  14.90 +/- 0.45   0.024% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 1.0, support = 2.99, residual support = 7.95:
          QG2   ILE   89 - HN    ALA   91   3.36 +/- 0.24  99.828% * 99.4095% (1.00   2.99   7.95) = 100.000%  kept
          QG1   VAL   83 - HN    ALA   91  11.52 +/- 0.17   0.066% *  0.3498% (0.53   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    TRP   27  11.30 +/- 0.63   0.076% *  0.0432% (0.07   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  13.86 +/- 0.96   0.023% *  0.0822% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  22.02 +/- 0.74   0.001% *  0.1026% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.26 +/- 0.62   0.006% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.31, residual support = 40.0:
          HG3   LYS+  99 - HN    GLU- 100   3.46 +/- 0.32  74.043% * 94.9724% (0.45   5.32  40.05) =  99.745%  kept
          HG3   LYS+  38 - HN    GLU- 100   5.83 +/- 1.64   8.295% *  0.7891% (0.99   0.02   0.02) =   0.093%
          QB    ALA   34 - HN    GLU- 100   5.23 +/- 0.67  10.339% *  0.5781% (0.73   0.02   0.02) =   0.085%
          QG2   THR   39 - HN    GLU- 100   5.85 +/- 0.87   7.205% *  0.7532% (0.95   0.02   0.02) =   0.077%
          HG    LEU   71 - HN    GLU- 100  10.91 +/- 0.79   0.096% *  0.2988% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLU- 100  15.01 +/- 0.80   0.013% *  0.5151% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  19.34 +/- 0.49   0.003% *  0.7140% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  22.17 +/- 1.32   0.001% *  0.7532% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  19.65 +/- 0.76   0.003% *  0.3273% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  19.80 +/- 0.67   0.002% *  0.2988% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 1.24, residual support = 5.58:
          QB    ALA   84 - HN    LYS+  81   3.99 +/- 0.13  99.917% * 80.0332% (0.57   1.24   5.58) =  99.999%  kept
          HB3   LEU   73 - HN    LYS+  81  16.04 +/- 0.81   0.026% *  2.1024% (0.92   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  81  17.36 +/- 1.17   0.017% *  1.3814% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  81  17.35 +/- 1.15   0.017% *  0.5071% (0.22   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  81  21.72 +/- 0.75   0.004% *  1.9756% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  25.10 +/- 1.36   0.002% *  2.2776% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  22.26 +/- 1.43   0.004% *  1.0211% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  24.56 +/- 0.84   0.002% *  1.8237% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.62 +/- 1.14   0.001% *  2.2325% (0.98   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  20.65 +/- 0.88   0.006% *  0.4507% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  27.07 +/- 1.44   0.001% *  1.9756% (0.87   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  27.20 +/- 2.73   0.001% *  0.9363% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  30.00 +/- 1.53   0.001% *  2.1545% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  24.34 +/- 0.97   0.002% *  0.3514% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  31.64 +/- 1.06   0.000% *  0.7769% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.82, residual support = 213.0:
          QD1   ILE   89 - HN    ILE   89   3.53 +/- 0.12  93.681% * 99.3774% (0.92   5.83 213.00) =  99.975%  kept
          QG2   VAL   83 - HN    ILE   89   5.62 +/- 0.33   6.311% *  0.3688% (1.00   0.02   0.02) =   0.025%
          QD2   LEU   31 - HN    ILE   89  17.07 +/- 0.74   0.008% *  0.2539% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.408, support = 2.93, residual support = 10.8:
          QB    ALA   84 - HN    ILE   89   3.22 +/- 0.12  70.181% * 38.8184% (0.45   2.21  13.96) =  62.541%  kept
          QB    ALA   88 - HN    ILE   89   3.72 +/- 0.04  29.656% * 55.0190% (0.34   4.12   5.53) =  37.456%  kept
          HB3   LEU   80 - HN    ILE   89   9.10 +/- 0.63   0.149% *  0.7677% (0.98   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    ILE   89  14.67 +/- 0.32   0.008% *  0.3220% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  18.64 +/- 1.08   0.002% *  0.7677% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ILE   89  18.11 +/- 0.64   0.002% *  0.6542% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  22.10 +/- 0.94   0.001% *  0.7815% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  22.21 +/- 1.37   0.001% *  0.4434% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  24.44 +/- 0.30   0.000% *  0.7230% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  29.86 +/- 0.55   0.000% *  0.6271% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  30.12 +/- 0.96   0.000% *  0.5380% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  32.34 +/- 0.82   0.000% *  0.5380% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.724, support = 3.56, residual support = 33.8:
          QB    ALA   91 - HN    GLN   90   4.16 +/- 0.63  71.659% * 60.7552% (0.84   2.99  32.93) =  81.021%  kept
          HG12  ILE   89 - HN    GLN   90   4.99 +/- 0.09  28.056% * 36.3474% (0.25   6.00  37.48) =  18.978%  kept
          QG2   ILE   56 - HN    GLN   90  11.38 +/- 0.30   0.206% *  0.1824% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    GLN   90  15.46 +/- 0.46   0.031% *  0.4485% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    GLN   90  15.13 +/- 0.71   0.037% *  0.0962% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  24.68 +/- 0.55   0.002% *  0.4859% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  24.22 +/- 0.97   0.002% *  0.4058% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  26.47 +/- 1.36   0.001% *  0.4357% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  21.46 +/- 0.69   0.004% *  0.1082% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  29.41 +/- 0.78   0.001% *  0.4596% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  32.58 +/- 1.26   0.000% *  0.2751% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (2.24, 7.39, 112.01 ppm):
    11 chemical-shift based assignments, quality = 0.341, support = 3.02, residual support = 95.3:
      O   QG    GLN   90 - HE21  GLN   90   2.22 +/- 0.12  99.955% * 90.5949% (0.34   3.02  95.33) =  99.999%  kept
          HG3   MET   92 - HE21  GLN   90   9.39 +/- 1.79   0.041% *  1.7564% (1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HE21  GLN   90  12.96 +/- 1.45   0.003% *  0.9944% (0.57   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  18.72 +/- 1.31   0.000% *  0.3476% (0.20   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  25.00 +/- 1.66   0.000% *  1.2065% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HE21  GLN   90  25.90 +/- 1.31   0.000% *  1.4064% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HE21  GLN   90  27.49 +/- 1.37   0.000% *  1.7217% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  24.49 +/- 1.26   0.000% *  0.4884% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  31.28 +/- 2.12   0.000% *  0.3910% (0.22   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  35.37 +/- 1.73   0.000% *  0.8549% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  29.90 +/- 1.03   0.000% *  0.2377% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.10 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 = 5.67, residual support = 95.3:
      O   HB2   GLN   90 - HN    GLN   90   3.40 +/- 0.50  99.918% * 98.2291% (0.73   5.67  95.33) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  11.67 +/- 0.58   0.080% *  0.4680% (0.98   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  24.11 +/- 0.80   0.001% *  0.2512% (0.53   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  26.33 +/- 0.82   0.001% *  0.4282% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  28.49 +/- 1.02   0.000% *  0.4763% (1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  30.48 +/- 0.90   0.000% *  0.0737% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  32.61 +/- 0.99   0.000% *  0.0737% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.831, support = 4.62, residual support = 25.0:
          QD2   LEU   73 - HN    PHE   72   3.88 +/- 0.19  72.044% * 87.2334% (0.87   4.82  26.08) =  95.790%  kept
          QG2   VAL   18 - HN    PHE   72   4.86 +/- 0.63  24.025% * 11.4529% (0.34   1.61   7.40) =   4.194%
          QG1   VAL   41 - HN    PHE   72   7.31 +/- 0.29   1.652% *  0.3186% (0.76   0.02   0.02) =   0.008%
          QG1   VAL   43 - HN    PHE   72   7.16 +/- 0.28   1.837% *  0.2360% (0.57   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    PHE   72  10.64 +/- 1.07   0.212% *  0.4023% (0.97   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    PHE   72  10.75 +/- 0.54   0.166% *  0.1039% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    PHE   72  12.56 +/- 0.24   0.063% *  0.2528% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.48, residual support = 39.3:
          QB    ALA   64 - HN    PHE   72   4.31 +/- 0.34  99.959% * 99.8591% (1.00   2.48  39.27) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.05 +/- 0.30   0.041% *  0.1409% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.31, residual support = 5.27:
          HB    ILE   19 - HN    LYS+  74   4.53 +/- 0.10  98.304% * 95.4593% (0.71   2.31   5.27) =  99.991%  kept
          HB2   GLN   17 - HN    LYS+  74   9.78 +/- 0.41   1.009% *  0.5022% (0.43   0.02   0.02) =   0.005%
          QB    GLU-  15 - HN    LYS+  74  12.14 +/- 0.65   0.285% *  0.5022% (0.43   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    LYS+  74  12.72 +/- 0.24   0.204% *  0.6630% (0.57   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+  74  17.07 +/- 0.29   0.035% *  0.8116% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LYS+  74  18.23 +/- 1.13   0.026% *  0.8262% (0.71   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  15.52 +/- 0.47   0.063% *  0.2065% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  17.24 +/- 0.43   0.033% *  0.3108% (0.27   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  17.58 +/- 0.35   0.029% *  0.2825% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  20.41 +/- 0.42   0.012% *  0.4356% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.67, residual support = 45.8:
          QD1   LEU   73 - HN    LYS+  74   4.12 +/- 0.44  98.729% * 97.2457% (0.37   5.67  45.79) =  99.994%  kept
          QD2   LEU   80 - HN    LYS+  74  10.27 +/- 0.76   0.607% *  0.5843% (0.64   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    LYS+  74  10.82 +/- 0.38   0.363% *  0.3428% (0.37   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  14.39 +/- 0.52   0.068% *  0.6501% (0.71   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  74  14.32 +/- 0.46   0.065% *  0.4979% (0.54   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  74  15.03 +/- 0.42   0.050% *  0.5651% (0.61   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LYS+  74  12.93 +/- 0.74   0.120% *  0.1141% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 4.74, residual support = 28.4:
          QG2   THR   77 - HN    ASP-  78   3.99 +/- 0.13  76.172% * 92.2221% (0.34   4.75  28.45) =  99.913%  kept
          QB    ALA   84 - HN    ASP-  78   5.03 +/- 0.45  20.666% *  0.1758% (0.15   0.02   0.02) =   0.052%
          HB3   LEU   80 - HN    ASP-  78   6.99 +/- 0.34   2.773% *  0.7828% (0.69   0.02   4.96) =   0.031%
          QB    ALA   88 - HN    ASP-  78  10.60 +/- 0.72   0.228% *  0.8275% (0.73   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    ASP-  78  11.77 +/- 0.73   0.128% *  0.5109% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  78  17.88 +/- 0.36   0.010% *  0.9518% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  18.68 +/- 0.68   0.007% *  1.0220% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.61 +/- 0.39   0.008% *  0.6452% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  19.24 +/- 1.43   0.007% *  0.2537% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  25.97 +/- 0.53   0.001% *  1.1395% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  28.36 +/- 0.94   0.001% *  1.1170% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  26.96 +/- 0.58   0.001% *  0.3517% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.923, support = 0.75, residual support = 0.75:
          QB    ALA   47 - HN    ASP-  78   3.78 +/- 0.38  99.935% * 94.7883% (0.92   0.75   0.75) =  99.998%  kept
          QG1   VAL   42 - HN    ASP-  78  13.45 +/- 0.38   0.058% *  2.6840% (0.98   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HN    ASP-  78  18.98 +/- 0.79   0.007% *  2.5277% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 4.29, residual support = 22.7:
          HB    THR   77 - HN    ASP-  78   4.04 +/- 0.16  69.282% * 38.2084% (0.45   4.75  28.45) =  59.396%  kept
          HA    GLU-  79 - HN    ASP-  78   4.64 +/- 0.09  30.119% * 60.0797% (0.92   3.62  14.35) =  40.602%  kept
          HA    SER   85 - HN    ASP-  78  10.11 +/- 0.30   0.289% *  0.1610% (0.45   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ASP-  78  12.07 +/- 0.78   0.111% *  0.3584% (1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ASP-  78  11.38 +/- 0.19   0.141% *  0.1348% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  13.50 +/- 0.51   0.052% *  0.3221% (0.90   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  21.88 +/- 0.33   0.003% *  0.2034% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  26.01 +/- 0.31   0.001% *  0.3467% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  26.33 +/- 0.34   0.001% *  0.0629% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  33.39 +/- 2.63   0.000% *  0.1225% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 1.0, support = 4.58, residual support = 35.3:
      O   HA    ASP-  78 - HN    ASP-  78   2.86 +/- 0.01  99.531% * 99.1982% (1.00   4.58  35.31) =  99.999%  kept
          HA    LEU   80 - HN    ASP-  78   7.22 +/- 0.08   0.382% *  0.2110% (0.49   0.02   4.96) =   0.001%
          HA    THR   23 - HN    ASP-  78   9.70 +/- 0.52   0.070% *  0.3760% (0.87   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  12.28 +/- 0.70   0.017% *  0.1479% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  22.46 +/- 0.27   0.000% *  0.0669% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.995, support = 7.97, residual support = 220.5:
      O   HA    ILE  119 - HN    ILE  119   2.78 +/- 0.02  75.413% * 59.0680% (1.00   8.29 249.59) =  86.499%  kept
      O   HA    THR  118 - HN    ILE  119   3.56 +/- 0.03  17.242% * 40.3207% (0.97   5.87  34.17) =  13.500%  kept
          HA    VAL   75 - HN    CYS   21   4.12 +/- 0.17   7.334% *  0.0079% (0.06   0.02   2.49) =   0.001%
          HA2   GLY  109 - HN    ILE  119  13.61 +/- 0.40   0.006% *  0.1034% (0.73   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  16.57 +/- 0.62   0.002% *  0.0404% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  17.00 +/- 0.64   0.001% *  0.0446% (0.31   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.71 +/- 0.62   0.001% *  0.0450% (0.32   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  19.14 +/- 0.27   0.001% *  0.0327% (0.23   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  25.16 +/- 0.59   0.000% *  0.1412% (0.99   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.73 +/- 0.49   0.000% *  0.0434% (0.30   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  26.30 +/- 0.80   0.000% *  0.1278% (0.90   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  20.85 +/- 0.51   0.000% *  0.0249% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.723, support = 5.19, residual support = 30.4:
          HB2   CYS   53 - HN    ARG+  54   3.34 +/- 0.29  90.737% * 98.0263% (0.72   5.19  30.38) =  99.974%  kept
          HD2   PRO   58 - HN    ARG+  54   5.83 +/- 0.28   3.594% *  0.4560% (0.87   0.02   0.02) =   0.018%
          HD3   PRO   52 - HN    ARG+  54   5.61 +/- 0.07   4.378% *  0.1374% (0.26   0.02   0.02) =   0.007%
          HD2   PRO   58 - HN    ASP-  62   6.94 +/- 0.09   1.234% *  0.0853% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  12.16 +/- 0.74   0.048% *  0.0706% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  22.89 +/- 0.57   0.001% *  0.4285% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  17.13 +/- 0.18   0.006% *  0.0257% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  25.53 +/- 0.46   0.001% *  0.1685% (0.32   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  30.02 +/- 0.52   0.000% *  0.4126% (0.79   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.66 +/- 0.37   0.001% *  0.0772% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  20.44 +/- 0.54   0.002% *  0.0315% (0.06   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  28.54 +/- 0.42   0.000% *  0.0802% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.921, support = 0.0196, residual support = 0.0196:
          QG2   VAL   18 - HN    ALA   61   5.25 +/- 0.60  88.082% * 17.9827% (0.95   0.02   0.02) =  89.661%  kept
          QG2   THR   46 - HN    ALA   61   7.88 +/- 0.51   9.030% * 16.4898% (0.87   0.02   0.02) =   8.429%  kept
          QG1   VAL   43 - HN    ALA   61  11.37 +/- 0.21   0.971% * 18.9678% (1.00   0.02   0.02) =   1.043%
          QD2   LEU   73 - HN    ALA   61  11.25 +/- 0.36   1.008% *  4.7402% (0.25   0.02   0.02) =   0.271%
          QG1   VAL   41 - HN    ALA   61  14.09 +/- 0.27   0.264% * 17.5485% (0.92   0.02   0.02) =   0.262%
          QD1   ILE   19 - HN    ALA   61  12.82 +/- 0.43   0.456% * 10.0016% (0.53   0.02   0.02) =   0.258%
          QD2   LEU  104 - HN    ALA   61  15.93 +/- 0.54   0.139% *  7.1347% (0.38   0.02   0.02) =   0.056%
          HG    LEU   31 - HN    ALA   61  18.56 +/- 0.90   0.050% *  7.1347% (0.38   0.02   0.02) =   0.020%
    Distance limit 4.88 A violated in 14 structures by 0.41 A, eliminated.
    Peak unassigned.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.38, residual support = 46.1:
          QB    GLU-  36 - HN    ASN   35   4.30 +/- 0.15  94.576% * 98.1739% (0.92   4.38  46.13) =  99.989%  kept
          HB2   LYS+  38 - HN    ASN   35   7.59 +/- 0.61   4.343% *  0.1350% (0.28   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    ASN   35   9.78 +/- 0.23   0.702% *  0.4814% (0.99   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HN    ASN   35  10.94 +/- 0.29   0.367% *  0.3527% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  19.45 +/- 0.31   0.011% *  0.4213% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  29.50 +/- 0.58   0.001% *  0.4356% (0.90   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 46.1:
      O   QB    MET   11 - HN    MET   11   2.84 +/- 0.50  99.692% * 95.9228% (0.69   3.00  46.05) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11   9.20 +/- 1.31   0.286% *  0.1436% (0.15   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  12.75 +/- 1.31   0.020% *  0.2321% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  21.74 +/- 4.50   0.001% *  0.8075% (0.87   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  31.21 +/- 3.18   0.000% *  0.6760% (0.73   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  34.39 +/- 2.34   0.000% *  0.7455% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  27.60 +/- 2.31   0.000% *  0.1630% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  29.74 +/- 4.53   0.000% *  0.1842% (0.20   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  39.84 +/- 2.95   0.000% *  0.8075% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  40.39 +/- 2.82   0.000% *  0.3176% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 46.1:
          HG2   MET   11 - HN    MET   11   3.57 +/- 0.78  99.664% * 97.3781% (0.92   3.31  46.05) =  99.998%  kept
          HB2   GLU-  14 - HN    MET   11  10.72 +/- 1.30   0.287% *  0.6025% (0.95   0.02   0.02) =   0.002%
          QB    GLN   32 - HN    MET   11  21.00 +/- 4.01   0.031% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    MET   11  17.03 +/- 1.63   0.017% *  0.3100% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  32.63 +/- 2.66   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  30.79 +/- 3.84   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  38.95 +/- 2.76   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  34.68 +/- 2.45   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 46.1:
          HG3   MET   11 - HN    MET   11   3.11 +/- 0.44  99.915% * 98.0255% (0.92   3.31  46.05) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  10.93 +/- 1.38   0.078% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  21.57 +/- 3.46   0.005% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  25.08 +/- 3.68   0.001% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  30.89 +/- 2.71   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  24.44 +/- 2.27   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  32.39 +/- 2.69   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  38.42 +/- 3.33   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.899, support = 0.0185, residual support = 0.0185:
          HG2   LYS+  33 - HN    MET   11  18.50 +/- 3.59  77.502% * 22.9200% (1.00   0.02   0.02) =  86.989%  kept
          HD3   LYS+  74 - HN    MET   11  27.59 +/- 2.58   9.216% * 12.0587% (0.53   0.02   0.02) =   5.442%  kept
          QG    LYS+  81 - HN    MET   11  33.78 +/- 3.01   2.413% * 19.1444% (0.84   0.02   0.02) =   2.262%
          HG    LEU  104 - HN    MET   11  29.49 +/- 2.57   5.167% *  8.6021% (0.38   0.02   0.02) =   2.177%
          HB3   LYS+ 121 - HN    MET   11  32.60 +/- 1.87   3.254% *  8.6021% (0.38   0.02   0.02) =   1.371%
          HG2   LYS+ 106 - HN    MET   11  36.85 +/- 2.45   1.353% * 17.5161% (0.76   0.02   0.02) =   1.160%
          HB3   LYS+ 111 - HN    MET   11  38.97 +/- 2.18   1.096% * 11.1564% (0.49   0.02   0.02) =   0.599%
    Distance limit 4.62 A violated in 20 structures by 13.42 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 = 12.7:
          HG2   MET   11 - HN    ALA   12   3.94 +/- 0.39  95.869% * 97.8398% (0.72   3.59  12.68) =  99.976%  kept
          HB2   GLU-  14 - HN    ALA   12   7.80 +/- 1.31   4.066% *  0.5446% (0.72   0.02   0.02) =   0.024%
          HB2   PRO   68 - HN    ALA   12  14.10 +/- 1.77   0.063% *  0.1518% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  29.73 +/- 1.97   0.001% *  0.5350% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  36.08 +/- 2.04   0.000% *  0.5350% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  31.74 +/- 1.85   0.000% *  0.2244% (0.30   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  32.21 +/- 2.28   0.000% *  0.0956% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  37.38 +/- 1.91   0.000% *  0.0739% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.31, residual support = 12.2:
      O   QB    ALA   12 - HN    ALA   12   2.76 +/- 0.25  99.988% * 93.4035% (0.68   2.31  12.19) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  16.50 +/- 3.26   0.007% *  0.8096% (0.68   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  18.27 +/- 2.05   0.002% *  0.7676% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  22.28 +/- 2.63   0.001% *  0.7149% (0.60   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  21.88 +/- 1.69   0.001% *  0.7676% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  21.62 +/- 2.42   0.001% *  0.3837% (0.32   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  23.94 +/- 2.38   0.000% *  0.6215% (0.52   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  31.69 +/- 2.90   0.000% *  0.6853% (0.58   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  31.12 +/- 2.59   0.000% *  0.3519% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  32.94 +/- 2.11   0.000% *  0.5191% (0.44   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  37.08 +/- 1.97   0.000% *  0.6215% (0.52   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  33.78 +/- 3.01   0.000% *  0.2380% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  32.05 +/- 1.84   0.000% *  0.1158% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.946, support = 1.76, residual support = 5.09:
          QB    ALA   12 - HN    SER   13   2.69 +/- 0.44  99.971% * 91.5358% (0.95   1.76   5.09) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  14.65 +/- 2.82   0.015% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  15.48 +/- 1.94   0.007% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  19.30 +/- 2.40   0.002% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  18.36 +/- 2.32   0.003% *  0.4924% (0.45   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  19.04 +/- 1.45   0.001% *  0.9849% (0.90   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  21.85 +/- 1.91   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  29.88 +/- 2.21   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  30.41 +/- 1.74   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  28.86 +/- 1.97   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  34.17 +/- 1.67   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  30.82 +/- 2.77   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  28.88 +/- 1.76   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.451, support = 2.48, residual support = 6.7:
          QB    SER   13 - HN    GLU-  14   3.89 +/- 0.20  99.843% * 95.6000% (0.45   2.48   6.70) =  99.998%  kept
          HB3   SER   37 - HN    GLU-  14  13.60 +/- 2.02   0.083% *  0.9943% (0.58   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLU-  14  13.82 +/- 1.91   0.072% *  0.8177% (0.48   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLU-  14  26.55 +/- 1.03   0.001% *  1.1877% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  34.12 +/- 1.89   0.000% *  0.9943% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  32.12 +/- 2.16   0.000% *  0.4060% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 0.532, support = 3.95, residual support = 46.1:
          QG    GLU-  14 - HN    GLU-  14   3.03 +/- 0.67  93.633% * 96.2780% (0.53   3.95  46.08) =  99.975%  kept
          QG    GLU-  15 - HN    GLU-  14   5.60 +/- 0.80   5.438% *  0.3868% (0.42   0.02   0.80) =   0.023%
          QB    MET   11 - HN    GLU-  14   7.45 +/- 0.89   0.898% *  0.1262% (0.14   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    GLU-  14  13.97 +/- 1.54   0.017% *  0.5327% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  15.63 +/- 2.59   0.011% *  0.4631% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  19.42 +/- 1.38   0.002% *  0.4631% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  24.76 +/- 1.08   0.000% *  0.6321% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  31.12 +/- 1.79   0.000% *  0.5720% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  25.59 +/- 1.04   0.000% *  0.1590% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  32.03 +/- 2.22   0.000% *  0.3868% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 3.76, residual support = 46.1:
      O   HB2   GLU-  14 - HN    GLU-  14   2.84 +/- 0.70  99.090% * 97.9330% (0.70   3.76  46.08) =  99.996%  kept
          HG2   MET   11 - HN    GLU-  14   8.49 +/- 1.03   0.755% *  0.5220% (0.70   0.02   0.02) =   0.004%
          HB2   PRO   68 - HN    GLU-  14  10.11 +/- 1.39   0.154% *  0.1451% (0.19   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  25.36 +/- 1.09   0.000% *  0.5116% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  26.73 +/- 1.24   0.000% *  0.2146% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  31.31 +/- 1.36   0.000% *  0.5116% (0.68   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  27.97 +/- 1.34   0.000% *  0.0914% (0.12   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  32.29 +/- 1.37   0.000% *  0.0706% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 3.76, residual support = 46.1:
      O   HB3   GLU-  14 - HN    GLU-  14   3.00 +/- 0.38  99.625% * 98.4180% (0.62   3.76  46.08) =  99.998%  kept
          HG3   MET   11 - HN    GLU-  14   8.23 +/- 1.06   0.370% *  0.4238% (0.51   0.02   0.02) =   0.002%
          HB2   LEU   40 - HN    GLU-  14  17.03 +/- 1.38   0.004% *  0.4460% (0.53   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  24.29 +/- 1.60   0.000% *  0.5823% (0.70   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  28.41 +/- 1.35   0.000% *  0.1299% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.998, support = 5.62, residual support = 84.0:
          QG    GLN   17 - HN    GLN   17   2.59 +/- 0.54  99.666% * 98.8390% (1.00   5.62  84.04) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   7.59 +/- 0.68   0.325% *  0.3455% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  16.10 +/- 0.53   0.003% *  0.2280% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  16.36 +/- 1.82   0.003% *  0.0980% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  20.08 +/- 0.55   0.001% *  0.3493% (0.99   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  17.98 +/- 1.16   0.002% *  0.0785% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  18.55 +/- 1.00   0.001% *  0.0617% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.71, residual support = 69.3:
      O   HB2   GLN   17 - HN    GLN   17   3.83 +/- 0.06  59.871% * 70.9303% (0.92   5.29  84.04) =  82.328%  kept
          QB    GLU-  15 - HN    GLN   17   4.26 +/- 0.33  32.976% * 27.6020% (0.92   2.06   0.63) =  17.646%  kept
          HB3   PRO   68 - HN    GLN   17   6.17 +/- 0.49   3.812% *  0.1646% (0.57   0.02   0.02) =   0.012%
          HB    ILE   19 - HN    GLN   17   6.61 +/- 0.53   2.577% *  0.2328% (0.80   0.02   0.02) =   0.012%
          HG2   PRO   68 - HN    GLN   17   8.28 +/- 0.45   0.608% *  0.2111% (0.73   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    GLN   17  10.80 +/- 1.18   0.151% *  0.0647% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  20.52 +/- 0.41   0.003% *  0.2901% (1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  21.17 +/- 1.17   0.002% *  0.2522% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  24.34 +/- 0.65   0.001% *  0.2522% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 5.29, residual support = 84.0:
      O   HB3   GLN   17 - HN    GLN   17   3.10 +/- 0.34  98.772% * 98.6137% (0.98   5.29  84.04) =  99.997%  kept
          QB    LYS+  65 - HN    GLN   17   7.73 +/- 0.79   0.648% *  0.2764% (0.73   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    GLN   17   8.09 +/- 1.01   0.449% *  0.2909% (0.76   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17   9.98 +/- 0.40   0.112% *  0.0667% (0.18   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  14.93 +/- 0.50   0.009% *  0.1058% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  16.43 +/- 0.99   0.005% *  0.1429% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  19.44 +/- 0.99   0.002% *  0.2309% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  21.43 +/- 1.07   0.001% *  0.1429% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  24.59 +/- 0.85   0.001% *  0.1298% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.975, support = 2.55, residual support = 7.49:
          QB    GLU-  15 - HN    GLY   16   2.52 +/- 0.63  95.289% * 95.2051% (0.98   2.55   7.49) =  99.969%  kept
          HB3   PRO   68 - HN    GLY   16   5.18 +/- 0.74   3.012% *  0.5979% (0.78   0.02   0.02) =   0.020%
          HB2   GLN   17 - HN    GLY   16   6.07 +/- 0.13   0.998% *  0.7467% (0.98   0.02  18.22) =   0.008%
          HG2   PRO   68 - HN    GLY   16   7.30 +/- 0.63   0.337% *  0.3634% (0.47   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLY   16   7.78 +/- 0.59   0.265% *  0.4227% (0.55   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLY   16  11.23 +/- 1.23   0.036% *  0.3070% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  10.08 +/- 0.94   0.059% *  0.1308% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  21.37 +/- 0.61   0.001% *  0.7063% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  18.54 +/- 1.36   0.001% *  0.1662% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  21.74 +/- 1.27   0.000% *  0.4830% (0.63   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  25.22 +/- 0.80   0.000% *  0.7401% (0.97   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  19.17 +/- 0.73   0.001% *  0.1308% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.701, support = 5.81, residual support = 50.9:
          QG    GLN   17 - HN    VAL   18   3.88 +/- 0.45  99.182% * 98.7514% (0.70   5.81  50.94) =  99.998%  kept
          HB    VAL   70 - HN    VAL   18   9.02 +/- 0.59   0.747% *  0.3028% (0.62   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    VAL   18  14.81 +/- 0.38   0.036% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  19.18 +/- 1.74   0.013% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   18  19.48 +/- 0.33   0.007% *  0.3909% (0.81   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  17.14 +/- 0.86   0.017% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 0.701, support = 4.99, residual support = 78.3:
      O   HB    VAL   18 - HN    VAL   18   2.25 +/- 0.32  99.695% * 97.8724% (0.70   4.99  78.31) =  99.999%  kept
          HB    ILE   19 - HN    VAL   18   6.43 +/- 0.17   0.238% *  0.1203% (0.21   0.02  23.63) =   0.000%
          HB2   LEU   67 - HN    VAL   18   8.62 +/- 0.63   0.049% *  0.5109% (0.91   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    VAL   18  10.46 +/- 0.66   0.014% *  0.1502% (0.27   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  14.28 +/- 0.61   0.002% *  0.4986% (0.89   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  17.56 +/- 0.56   0.001% *  0.5109% (0.91   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  17.03 +/- 0.71   0.001% *  0.2422% (0.43   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  19.20 +/- 1.11   0.000% *  0.0946% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 5.47, residual support = 50.9:
          HB3   GLN   17 - HN    VAL   18   3.80 +/- 0.06  95.218% * 93.7827% (0.33   5.47  50.94) =  99.952%  kept
          QB    LYS+  65 - HN    VAL   18   6.69 +/- 0.64   3.993% *  0.9011% (0.87   0.02   0.02) =   0.040%
          QB    LYS+  66 - HN    VAL   18   9.70 +/- 0.49   0.363% *  0.8392% (0.81   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    VAL   18   9.89 +/- 0.52   0.323% *  0.8715% (0.84   0.02   0.02) =   0.003%
          HB    VAL   41 - HN    VAL   18  13.10 +/- 1.10   0.065% *  0.6500% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  17.90 +/- 1.37   0.010% *  0.9958% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  20.31 +/- 0.61   0.004% *  0.9696% (0.93   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  16.85 +/- 0.88   0.013% *  0.2505% (0.24   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  19.34 +/- 0.74   0.006% *  0.4891% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  19.53 +/- 0.79   0.005% *  0.2505% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.913, support = 5.31, residual support = 78.3:
          QG2   VAL   18 - HN    VAL   18   2.66 +/- 0.62  99.027% * 98.3103% (0.91   5.31  78.31) =  99.998%  kept
          QD1   ILE   19 - HN    VAL   18   7.08 +/- 0.19   0.481% *  0.2061% (0.51   0.02  23.63) =   0.001%
          QD2   LEU   73 - HN    VAL   18   7.47 +/- 0.25   0.340% *  0.0977% (0.24   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   18   9.75 +/- 0.61   0.086% *  0.3397% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  10.81 +/- 0.41   0.040% *  0.3908% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  12.11 +/- 0.40   0.018% *  0.3615% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  15.31 +/- 0.68   0.005% *  0.1470% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  16.27 +/- 0.80   0.003% *  0.1470% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.25, residual support = 8.41:
          QB    ALA   64 - HN    VAL   18   3.35 +/- 0.39  99.977% * 99.8615% (0.84   2.25   8.41) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  13.99 +/- 0.91   0.023% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.441, support = 4.57, residual support = 17.0:
          HN    PHE   59 - HN    PHE   60   2.87 +/- 0.07  86.161% * 95.1061% (0.44   4.57  17.00) =  99.969%  kept
          QE    PHE   59 - HN    THR  118   4.20 +/- 0.19   9.180% *  0.1508% (0.16   0.02   5.91) =   0.017%
          QE    PHE   59 - HN    PHE   60   4.97 +/- 0.52   3.975% *  0.2669% (0.28   0.02  17.00) =   0.013%
          HN    HIS  122 - HN    THR  118   6.84 +/- 0.10   0.474% *  0.1991% (0.21   0.02   2.77) =   0.001%
          HN    LYS+  66 - HN    PHE   60   8.54 +/- 0.09   0.125% *  0.0771% (0.08   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    THR  118  10.36 +/- 0.25   0.040% *  0.2352% (0.25   0.02   5.91) =   0.000%
          HN    HIS  122 - HN    PHE   60  11.41 +/- 0.26   0.022% *  0.3524% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  12.86 +/- 0.65   0.011% *  0.1651% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  17.88 +/- 0.90   0.002% *  0.5719% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  20.01 +/- 0.85   0.001% *  0.8920% (0.95   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  20.69 +/- 0.99   0.001% *  0.7550% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.49 +/- 0.36   0.008% *  0.0436% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  26.61 +/- 0.64   0.000% *  0.3196% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  27.11 +/- 1.55   0.000% *  0.1806% (0.19   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  35.94 +/- 1.58   0.000% *  0.6847% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 5.53, residual support = 41.2:
          HN    ALA   61 - HN    PHE   60   2.56 +/- 0.09  99.980% * 95.2408% (0.47   5.53  41.18) = 100.000%  kept
          HN    ALA   61 - HN    THR  118  12.66 +/- 0.20   0.007% *  0.1947% (0.26   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLU-  15  16.01 +/- 0.86   0.002% *  0.7381% (1.00   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  14.14 +/- 1.79   0.006% *  0.1461% (0.20   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  16.97 +/- 1.04   0.001% *  0.5641% (0.76   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  16.95 +/- 0.35   0.001% *  0.3414% (0.46   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  19.19 +/- 0.53   0.001% *  0.2633% (0.36   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  21.04 +/- 0.25   0.000% *  0.1929% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  24.10 +/- 0.51   0.000% *  0.2988% (0.40   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  29.53 +/- 1.03   0.000% *  0.7316% (0.99   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  20.15 +/- 0.62   0.000% *  0.0682% (0.09   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  25.57 +/- 1.16   0.000% *  0.1689% (0.23   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  25.72 +/- 0.54   0.000% *  0.1488% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  34.51 +/- 1.39   0.000% *  0.6403% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  21.76 +/- 0.64   0.000% *  0.0385% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  24.21 +/- 0.51   0.000% *  0.0603% (0.08   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  32.24 +/- 1.15   0.000% *  0.1293% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  27.25 +/- 1.49   0.000% *  0.0341% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.64, residual support = 69.5:
      O   HB3   PHE   60 - HN    PHE   60   1.95 +/- 0.04  99.982% * 95.5106% (0.47   4.64  69.47) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118  10.58 +/- 1.24   0.006% *  0.2203% (0.25   0.02   2.23) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.95 +/- 0.39   0.006% *  0.1225% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    THR  118  11.95 +/- 0.36   0.002% *  0.2328% (0.26   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  12.34 +/- 0.33   0.002% *  0.2168% (0.25   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  16.80 +/- 0.87   0.000% *  0.8829% (1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  15.27 +/- 0.89   0.000% *  0.3898% (0.44   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  15.83 +/- 1.07   0.000% *  0.4297% (0.49   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  16.20 +/- 0.48   0.000% *  0.2006% (0.23   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  17.51 +/- 1.62   0.000% *  0.2202% (0.25   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.19 +/- 1.13   0.000% *  0.4645% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  24.47 +/- 1.38   0.000% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  22.11 +/- 0.55   0.000% *  0.1027% (0.12   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  22.56 +/- 0.53   0.000% *  0.1133% (0.13   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  24.33 +/- 0.87   0.000% *  0.0581% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.0, residual support = 17.0:
          HB3   PHE   59 - HN    PHE   60   2.38 +/- 0.15  99.963% * 96.9643% (0.39   4.00  17.00) = 100.000%  kept
          HB3   PHE   59 - HN    THR  118   8.94 +/- 0.35   0.036% *  0.2739% (0.22   0.02   5.91) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  20.07 +/- 0.81   0.000% *  1.0387% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   60  17.91 +/- 0.70   0.001% *  0.4647% (0.37   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  27.92 +/- 1.33   0.000% *  0.9957% (0.80   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  25.75 +/- 0.69   0.000% *  0.2626% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.94, residual support = 5.39:
        T HN    SER  117 - HN    THR  118   2.35 +/- 0.09  99.991% * 95.6277% (0.17   2.94   5.39) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.70 +/- 0.31   0.007% *  1.1795% (0.30   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  14.73 +/- 0.58   0.002% *  1.3123% (0.34   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  21.00 +/- 0.72   0.000% *  0.7247% (0.19   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  24.06 +/- 0.66   0.000% *  0.7446% (0.19   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  29.93 +/- 0.99   0.000% *  0.4112% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.129, support = 4.17, residual support = 36.1:
          QG2   THR  118 - HN    THR  118   3.65 +/- 0.03  98.716% * 99.1392% (0.13   4.17  36.10) =  99.989%  kept
          QG2   THR  118 - HN    PHE   60   7.56 +/- 0.19   1.284% *  0.8608% (0.23   0.02   0.02) =   0.011%
    Distance limit 4.30 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 = 0.137, support = 4.07, residual support = 51.8:
      O   HA    PHE   60 - HN    PHE   60   2.84 +/- 0.02  15.923% * 77.5598% (0.22   4.64  69.47) =  51.806%  kept
      O   HB    THR  118 - HN    THR  118   2.22 +/- 0.07  69.159% * 15.1241% (0.05   3.81  36.10) =  43.878%  kept
          QB    SER  117 - HN    THR  118   2.87 +/- 0.07  14.893% *  6.9077% (0.03   3.13   5.39) =   4.316%
          HB    THR  118 - HN    PHE   60   9.10 +/- 0.45   0.016% *  0.1438% (0.09   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.30 +/- 0.26   0.007% *  0.1848% (0.12   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  12.25 +/- 0.28   0.002% *  0.0798% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.145, support = 3.78, residual support = 36.0:
      O   HA    THR  118 - HN    THR  118   2.87 +/- 0.01  89.801% * 35.8813% (0.14   3.69  36.10) =  94.134%  kept
          HA    ILE  119 - HN    THR  118   5.00 +/- 0.03   3.251% * 61.5754% (0.17   5.39  34.17) =   5.847%  kept
          HD3   PRO   58 - HN    PHE   60   4.44 +/- 0.15   6.690% *  0.0808% (0.06   0.02   0.02) =   0.016%
          HA    ILE  119 - HN    PHE   60   8.11 +/- 0.21   0.181% *  0.4138% (0.30   0.02   0.02) =   0.002%
          HA    THR  118 - HN    PHE   60  11.44 +/- 0.26   0.023% *  0.3526% (0.26   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  12.83 +/- 0.22   0.011% *  0.2069% (0.15   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  12.35 +/- 0.29   0.014% *  0.1142% (0.08   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  13.74 +/- 0.44   0.008% *  0.1732% (0.13   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.88 +/- 0.32   0.018% *  0.0446% (0.03   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  17.83 +/- 0.63   0.002% *  0.3854% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  21.40 +/- 0.33   0.001% *  0.2985% (0.22   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  21.24 +/- 0.42   0.001% *  0.0956% (0.07   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  25.33 +/- 0.49   0.000% *  0.2128% (0.16   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  25.62 +/- 0.97   0.000% *  0.1648% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.936, support = 0.0189, residual support = 16.1:
      O   HA    PHE   59 - HN    PHE   60   3.63 +/- 0.01  77.152% * 16.0661% (0.99   0.02  17.00) =  94.597%  kept
          HA    ILE   56 - HN    PHE   60   4.55 +/- 0.20  20.448% *  2.4844% (0.15   0.02   4.60) =   3.877%
          HA    ASP- 113 - HN    THR  118   6.88 +/- 0.30   1.736% *  7.8708% (0.48   0.02   0.02) =   1.043%
          HA    PHE   59 - HN    THR  118   8.64 +/- 0.18   0.430% * 12.9479% (0.80   0.02   5.91) =   0.425%
          HA    ASP- 113 - HN    PHE   60  13.18 +/- 0.22   0.034% *  9.7663% (0.60   0.02   0.02) =   0.025%
          HA    ILE   56 - HN    THR  118  10.18 +/- 0.33   0.163% *  2.0022% (0.12   0.02   0.02) =   0.025%
          HA    LYS+  99 - HN    PHE   60  17.88 +/- 0.36   0.005% *  4.4769% (0.28   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    THR  118  17.56 +/- 0.47   0.006% *  3.6080% (0.22   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    GLU-  15  19.47 +/- 0.80   0.003% *  6.3895% (0.39   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    GLU-  15  17.57 +/- 1.50   0.007% *  1.7805% (0.11   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    GLU-  15  17.18 +/- 1.58   0.009% *  1.1215% (0.07   0.02   0.02) =   0.001%
          HA    TRP   87 - HN    PHE   60  25.00 +/- 0.39   0.001% *  9.7663% (0.60   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   60  21.46 +/- 0.47   0.002% *  2.8199% (0.17   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  27.47 +/- 1.07   0.000% *  7.8708% (0.48   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  22.90 +/- 0.66   0.001% *  2.2726% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  22.25 +/- 0.93   0.002% *  0.9881% (0.06   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  29.97 +/- 0.87   0.000% *  3.8841% (0.24   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  34.89 +/- 1.19   0.000% *  3.8841% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 20 structures by 0.34 A, eliminated.
    Peak unassigned.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.842, support = 4.35, residual support = 57.2:
      O   HA    PHE   60 - HN    PHE   60   2.84 +/- 0.02  51.420% * 78.9634% (0.96   4.64  69.47) =  80.798%  kept
          QB    SER  117 - HN    THR  118   2.87 +/- 0.07  48.268% * 19.9905% (0.36   3.13   5.39) =  19.201%  kept
          HA    LYS+ 121 - HN    THR  118   6.90 +/- 0.27   0.257% *  0.0498% (0.14   0.02   8.88) =   0.000%
          HA    PHE   60 - HN    THR  118  10.30 +/- 0.26   0.023% *  0.2746% (0.77   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  12.25 +/- 0.28   0.008% *  0.1583% (0.44   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.60 +/- 0.17   0.011% *  0.0478% (0.13   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.81 +/- 0.17   0.004% *  0.0786% (0.22   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  16.00 +/- 0.80   0.002% *  0.1355% (0.38   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.25 +/- 0.20   0.003% *  0.0618% (0.17   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.62 +/- 0.33   0.004% *  0.0385% (0.11   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  20.79 +/- 0.44   0.000% *  0.0633% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  25.05 +/- 0.80   0.000% *  0.0630% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  23.60 +/- 0.86   0.000% *  0.0246% (0.07   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  23.90 +/- 1.04   0.000% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  27.51 +/- 1.28   0.000% *  0.0313% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.439, support = 2.81, residual support = 13.3:
          QG    GLU-  15 - HN    GLU-  15   3.42 +/- 0.64  51.271% * 13.7585% (0.32   2.19   9.77) =  39.641%  kept
          QG    GLU-  14 - HN    GLU-  15   3.57 +/- 0.44  38.594% * 15.4461% (0.36   2.13   0.80) =  33.499%  kept
          HG12  ILE  119 - HN    THR  118   4.71 +/- 0.27   7.301% * 65.3671% (0.72   4.59  34.17) =  26.819%  kept
          HG12  ILE  119 - HN    PHE   60   6.59 +/- 0.35   0.943% *  0.3536% (0.89   0.02   0.02) =   0.019%
          HB2   ASP-  44 - HN    PHE   60   6.71 +/- 0.42   0.816% *  0.3536% (0.89   0.02   2.92) =   0.016%
          HB3   PHE   72 - HN    PHE   60   8.97 +/- 0.53   0.146% *  0.3805% (0.96   0.02   6.12) =   0.003%
          HB2   ASP- 105 - HN    THR  118   6.95 +/- 0.42   0.651% *  0.0430% (0.11   0.02   5.41) =   0.002%
          HB3   PHE   72 - HN    GLU-  15  10.60 +/- 1.27   0.116% *  0.1513% (0.38   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLU-  15  10.64 +/- 1.38   0.087% *  0.0535% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    THR  118  14.50 +/- 0.55   0.008% *  0.2849% (0.72   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  15.73 +/- 0.95   0.005% *  0.3157% (0.79   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  15.41 +/- 1.27   0.008% *  0.1621% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  16.12 +/- 0.59   0.004% *  0.3066% (0.77   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  12.25 +/- 0.33   0.022% *  0.0534% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  17.83 +/- 0.92   0.003% *  0.3908% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  16.10 +/- 1.00   0.006% *  0.1406% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  18.57 +/- 1.04   0.002% *  0.3639% (0.91   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  14.76 +/- 1.20   0.008% *  0.0825% (0.21   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  17.91 +/- 1.38   0.003% *  0.1306% (0.33   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  21.92 +/- 1.04   0.001% *  0.3149% (0.79   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  20.99 +/- 1.08   0.001% *  0.2544% (0.64   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  21.56 +/- 0.58   0.001% *  0.2074% (0.52   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  21.44 +/- 0.93   0.001% *  0.1406% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  25.08 +/- 0.85   0.000% *  0.2933% (0.74   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  25.07 +/- 2.05   0.000% *  0.1345% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.86 +/- 0.46   0.000% *  0.1672% (0.42   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  28.51 +/- 1.24   0.000% *  0.1554% (0.39   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  22.59 +/- 0.98   0.001% *  0.0212% (0.05   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  28.99 +/- 1.58   0.000% *  0.0645% (0.16   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  31.02 +/- 1.98   0.000% *  0.1084% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.241, support = 1.71, residual support = 6.24:
      O   QB    GLU-  15 - HN    GLU-  15   3.16 +/- 0.20  84.529% *  9.2315% (0.06   2.09   9.77) =  62.472%  kept
          QB    GLU- 114 - HN    THR  118   4.85 +/- 0.33   7.729% * 43.5612% (0.48   1.24   0.34) =  26.954%  kept
          HB2   LEU  115 - HN    THR  118   5.29 +/- 0.06   3.967% * 32.7038% (0.69   0.65   0.46) =  10.387%  kept
          HG3   PRO   58 - HN    PHE   60   6.62 +/- 0.10   1.037% *  1.2894% (0.89   0.02   0.02) =   0.107%
          HB2   LEU  115 - HN    PHE   60   7.87 +/- 0.27   0.384% *  1.2471% (0.86   0.02   0.02) =   0.038%
          HB2   GLN   17 - HN    GLU-  15   6.56 +/- 0.74   1.467% *  0.0882% (0.06   0.02   0.63) =   0.010%
          HB    VAL   18 - HN    PHE   60   8.57 +/- 0.59   0.245% *  0.3585% (0.25   0.02   0.02) =   0.007%
          HB    ILE   19 - HN    GLU-  15   9.15 +/- 1.08   0.203% *  0.3928% (0.27   0.02   0.02) =   0.006%
          HB2   LEU   67 - HN    PHE   60  10.19 +/- 0.67   0.084% *  0.6998% (0.48   0.02   0.02) =   0.005%
          QB    GLU- 114 - HN    PHE   60  11.20 +/- 0.87   0.055% *  0.8720% (0.60   0.02   0.02) =   0.004%
          HG2   PRO   68 - HN    GLU-  15  10.16 +/- 0.61   0.089% *  0.4370% (0.30   0.02   0.02) =   0.003%
          HB    ILE   19 - HN    PHE   60  13.22 +/- 0.51   0.017% *  0.9876% (0.68   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    THR  118  13.40 +/- 0.35   0.015% *  1.0392% (0.72   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLU-  15  10.38 +/- 0.87   0.083% *  0.1426% (0.10   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLU-  15  11.72 +/- 0.69   0.035% *  0.2783% (0.19   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    PHE   60  14.73 +/- 0.26   0.009% *  1.0988% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    THR  118  13.74 +/- 0.41   0.013% *  0.5640% (0.39   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   60  12.59 +/- 0.56   0.023% *  0.2218% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  18.73 +/- 0.48   0.002% *  0.8855% (0.61   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  15.69 +/- 0.69   0.006% *  0.2218% (0.15   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.59 +/- 0.49   0.001% *  0.7959% (0.55   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  17.70 +/- 0.84   0.003% *  0.2889% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  22.06 +/- 0.97   0.001% *  0.5128% (0.35   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  21.03 +/- 1.09   0.001% *  0.1788% (0.12   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  24.75 +/- 0.90   0.000% *  0.4960% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  24.15 +/- 0.57   0.000% *  0.3997% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  21.38 +/- 0.45   0.001% *  0.1788% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  21.28 +/- 1.10   0.001% *  0.1590% (0.11   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  25.09 +/- 1.19   0.000% *  0.3468% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  30.41 +/- 0.65   0.000% *  0.3222% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.0923, support = 2.15, residual support = 4.6:
          QG1   ILE   56 - HN    PHE   60   3.54 +/- 0.30  97.948% * 44.7380% (0.09   2.15   4.60) =  99.949%  kept
          HD2   LYS+ 111 - HN    THR  118   9.10 +/- 0.68   0.398% *  1.1661% (0.26   0.02   0.02) =   0.011%
          HB2   LEU  123 - HN    THR  118   8.86 +/- 0.17   0.437% *  0.9526% (0.21   0.02   0.02) =   0.009%
          HG3   PRO   93 - HN    PHE   60   9.91 +/- 0.63   0.222% *  1.6089% (0.36   0.02   0.02) =   0.008%
          QD    LYS+ 106 - HN    THR  118  10.21 +/- 1.11   0.221% *  0.9937% (0.22   0.02   2.23) =   0.005%
          HB2   LEU   73 - HN    GLU-  15  14.32 +/- 1.15   0.029% *  4.3533% (0.97   0.02   0.02) =   0.003%
          HB2   LEU   73 - HN    PHE   60  12.64 +/- 0.33   0.054% *  2.0317% (0.45   0.02   0.59) =   0.003%
          QG1   ILE   56 - HN    THR  118   8.84 +/- 0.29   0.432% *  0.2354% (0.05   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    PHE   60  13.61 +/- 1.00   0.036% *  2.1053% (0.47   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    GLU-  15  15.88 +/- 1.28   0.019% *  3.6120% (0.80   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    PHE   60  13.49 +/- 0.32   0.036% *  1.6858% (0.37   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    PHE   60  14.16 +/- 0.42   0.026% *  2.0636% (0.46   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HN    PHE   60  14.88 +/- 0.59   0.020% *  1.7585% (0.39   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    PHE   60  15.93 +/- 0.60   0.013% *  1.6858% (0.37   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    THR  118  14.55 +/- 0.66   0.022% *  0.9526% (0.21   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    THR  118  14.47 +/- 0.27   0.023% *  0.9092% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    GLU-  15  17.51 +/- 2.52   0.019% *  1.0043% (0.22   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    THR  118  15.99 +/- 1.22   0.014% *  1.1897% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    THR  118  18.46 +/- 0.77   0.005% *  1.1481% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    GLU-  15  22.60 +/- 0.98   0.002% *  3.6120% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    THR  118  17.17 +/- 1.02   0.009% *  0.6735% (0.15   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  24.08 +/- 1.10   0.001% *  3.7678% (0.84   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  19.01 +/- 0.88   0.004% *  0.8927% (0.20   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  23.77 +/- 1.31   0.001% *  2.5539% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  20.85 +/- 0.72   0.003% *  1.1919% (0.26   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  25.39 +/- 1.25   0.001% *  3.4474% (0.76   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  27.22 +/- 1.05   0.001% *  4.5109% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  30.93 +/- 1.07   0.000% *  4.4216% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  22.06 +/- 1.63   0.002% *  0.4687% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  21.75 +/- 0.90   0.002% *  0.2649% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.245, support = 2.65, residual support = 41.0:
          QB    ALA   61 - HN    PHE   60   4.12 +/- 0.08  77.478% * 72.5664% (0.25   2.66  41.18) =  99.665%  kept
          HG12  ILE   19 - HN    GLU-  15   7.20 +/- 1.01   4.189% *  1.8543% (0.84   0.02   0.02) =   0.138%
          HD3   LYS+ 121 - HN    THR  118   6.51 +/- 1.35  10.651% *  0.5405% (0.24   0.02   8.88) =   0.102%
          QB    ALA   12 - HN    GLU-  15   7.20 +/- 0.73   3.240% *  0.8332% (0.38   0.02   0.02) =   0.048%
          QB    ALA  110 - HN    PHE   60   7.81 +/- 0.24   1.708% *  0.7918% (0.36   0.02   0.02) =   0.024%
          QG    LYS+  66 - HN    PHE   60   8.72 +/- 0.73   0.982% *  0.2307% (0.10   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    PHE   60  11.05 +/- 0.44   0.210% *  0.9292% (0.42   0.02   0.02) =   0.003%
          QB    ALA  110 - HN    THR  118   9.92 +/- 0.14   0.400% *  0.4475% (0.20   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    GLU-  15  13.76 +/- 1.09   0.065% *  1.9910% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    GLU-  15  11.80 +/- 0.83   0.154% *  0.8332% (0.38   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    GLU-  15  12.71 +/- 0.79   0.097% *  1.1680% (0.53   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    PHE   60  11.31 +/- 0.59   0.191% *  0.3889% (0.18   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    PHE   60  14.03 +/- 0.78   0.053% *  0.9564% (0.43   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.30 +/- 0.16   0.110% *  0.3080% (0.14   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  14.73 +/- 0.47   0.037% *  0.8654% (0.39   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  13.83 +/- 0.68   0.057% *  0.4943% (0.22   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    THR  118  11.08 +/- 0.58   0.210% *  0.1304% (0.06   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    PHE   60  14.99 +/- 0.37   0.034% *  0.6703% (0.30   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLU-  15  17.49 +/- 1.28   0.015% *  1.4361% (0.65   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    THR  118  14.70 +/- 0.38   0.038% *  0.3788% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  14.18 +/- 0.65   0.048% *  0.2197% (0.10   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  22.04 +/- 0.87   0.003% *  1.6966% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  23.71 +/- 1.54   0.002% *  2.0493% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  21.41 +/- 0.60   0.004% *  1.0269% (0.46   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.92 +/- 0.35   0.006% *  0.5251% (0.24   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  21.47 +/- 1.25   0.004% *  0.7524% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  26.86 +/- 1.00   0.001% *  2.2004% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  25.59 +/- 1.05   0.001% *  1.6121% (0.73   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  21.23 +/- 1.38   0.005% *  0.3889% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  22.49 +/- 0.52   0.003% *  0.4890% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  26.76 +/- 1.17   0.001% *  0.5803% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  26.85 +/- 1.55   0.001% *  0.4252% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  26.97 +/- 1.47   0.001% *  0.2197% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 0.895, support = 3.76, residual support = 25.5:
      O   QB    ALA   34 - HN    ALA   34   2.06 +/- 0.08  99.489% * 96.2657% (0.89   3.76  25.47) =  99.999%  kept
          QG2   THR   39 - HN    ALA   34   5.93 +/- 0.86   0.260% *  0.1589% (0.28   0.02   6.24) =   0.000%
          QG2   THR   23 - HN    LEU   80   7.41 +/- 0.73   0.056% *  0.5075% (0.89   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   80   6.15 +/- 0.33   0.152% *  0.1140% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   8.52 +/- 0.66   0.027% *  0.3008% (0.52   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80   9.35 +/- 0.57   0.012% *  0.1424% (0.25   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.28 +/- 0.58   0.001% *  0.5666% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  13.50 +/- 0.29   0.001% *  0.3718% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.65 +/- 0.28   0.000% *  0.4592% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  18.73 +/- 0.53   0.000% *  0.4151% (0.72   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.59 +/- 0.44   0.000% *  0.1273% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  20.14 +/- 0.70   0.000% *  0.1424% (0.25   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  20.87 +/- 0.69   0.000% *  0.1589% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  27.25 +/- 1.27   0.000% *  0.2694% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 0.537, support = 3.38, residual support = 24.2:
      O   HA    ALA   34 - HN    ALA   34   2.84 +/- 0.02  94.563% * 46.1926% (0.56   3.56  25.47) =  95.064%  kept
          HA    LYS+  81 - HN    LEU   80   4.72 +/- 0.15   4.580% * 49.4812% (0.47   4.58  37.73) =   4.932%
          HA    ASN   28 - HN    ALA   34   7.40 +/- 0.11   0.304% *  0.3506% (0.76   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   34   6.86 +/- 0.06   0.478% *  0.1886% (0.41   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ALA   34  10.20 +/- 1.57   0.065% *  0.1722% (0.37   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  13.97 +/- 0.36   0.007% *  0.3140% (0.68   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.25 +/- 0.45   0.001% *  0.4028% (0.88   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.20 +/- 0.57   0.000% *  0.3331% (0.72   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.66 +/- 0.67   0.000% *  0.2984% (0.65   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  22.16 +/- 0.31   0.000% *  0.2326% (0.51   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.21 +/- 0.40   0.000% *  0.4497% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  25.06 +/- 0.62   0.000% *  0.4235% (0.92   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.04 +/- 1.90   0.000% *  0.1542% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  24.68 +/- 0.42   0.000% *  0.2414% (0.52   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.78 +/- 0.44   0.000% *  0.1689% (0.37   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.77 +/- 0.96   0.000% *  0.1144% (0.25   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.44 +/- 0.82   0.000% *  0.1025% (0.22   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  34.25 +/- 0.66   0.000% *  0.3793% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.935, support = 6.52, residual support = 41.0:
      O   HA    LYS+  33 - HN    ALA   34   3.61 +/- 0.02  69.723% * 77.1769% (0.99   6.66  44.66) =  91.721%  kept
          HA    GLN   32 - HN    ALA   34   4.32 +/- 0.20  24.326% * 19.9400% (0.34   5.00   0.72) =   8.268%  kept
          HB2   SER   82 - HN    LEU   80   7.41 +/- 0.53   1.053% *  0.1982% (0.85   0.02   0.32) =   0.004%
          HA    GLU-  29 - HN    ALA   34   7.52 +/- 0.25   0.865% *  0.2318% (0.99   0.02   0.02) =   0.003%
          HB2   SER   37 - HN    ALA   34   6.28 +/- 0.68   3.289% *  0.0410% (0.17   0.02   0.52) =   0.002%
          HA    VAL   70 - HN    ALA   34   8.72 +/- 0.32   0.364% *  0.1873% (0.80   0.02   0.02) =   0.001%
          HA    SER   48 - HN    LEU   80  10.02 +/- 0.96   0.184% *  0.1271% (0.54   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  11.97 +/- 0.52   0.055% *  0.2292% (0.98   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  10.69 +/- 0.70   0.110% *  0.0786% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  17.18 +/- 0.26   0.006% *  0.2076% (0.89   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  17.94 +/- 0.34   0.005% *  0.2053% (0.88   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.14 +/- 0.72   0.013% *  0.0415% (0.18   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  22.48 +/- 0.35   0.001% *  0.2076% (0.89   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  23.38 +/- 0.38   0.001% *  0.1677% (0.72   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  20.33 +/- 0.44   0.002% *  0.0715% (0.30   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  24.74 +/- 0.80   0.001% *  0.2212% (0.94   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.09 +/- 0.56   0.001% *  0.1418% (0.61   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.46 +/- 0.38   0.001% *  0.1873% (0.80   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  26.54 +/- 0.60   0.000% *  0.1677% (0.72   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  29.23 +/- 0.79   0.000% *  0.0878% (0.37   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  26.04 +/- 0.69   0.000% *  0.0367% (0.16   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.18 +/- 0.70   0.000% *  0.0463% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.731, support = 5.14, residual support = 38.2:
          HG3   LYS+  33 - HN    ALA   34   4.20 +/- 0.71  41.153% * 83.8025% (0.76   5.84  44.66) =  85.597%  kept
          QB    ALA   84 - HN    LEU   80   3.84 +/- 0.48  57.632% * 10.0651% (0.54   0.99   0.14) =  14.397%  kept
          HB3   LEU   73 - HN    ALA   34   9.01 +/- 0.40   0.271% *  0.3366% (0.89   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    ALA   34   9.87 +/- 1.11   0.192% *  0.1827% (0.49   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   34  10.60 +/- 0.47   0.102% *  0.3135% (0.83   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   34   8.43 +/- 0.65   0.457% *  0.0657% (0.17   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   80  12.58 +/- 0.68   0.038% *  0.3015% (0.80   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  14.84 +/- 2.77   0.049% *  0.1409% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  15.05 +/- 1.25   0.014% *  0.3465% (0.92   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  14.49 +/- 0.45   0.016% *  0.2175% (0.58   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  13.94 +/- 0.81   0.022% *  0.0838% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  17.70 +/- 0.58   0.005% *  0.3745% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  14.95 +/- 0.63   0.013% *  0.0936% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  18.28 +/- 0.77   0.004% *  0.3135% (0.83   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  18.14 +/- 0.43   0.004% *  0.2808% (0.75   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  18.72 +/- 1.33   0.004% *  0.1636% (0.44   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  19.94 +/- 0.33   0.002% *  0.2277% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  21.66 +/- 1.11   0.001% *  0.3355% (0.89   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  16.65 +/- 0.51   0.007% *  0.0657% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  21.75 +/- 0.72   0.001% *  0.2569% (0.68   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  21.59 +/- 0.83   0.001% *  0.2428% (0.65   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  17.51 +/- 0.77   0.005% *  0.0589% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  24.02 +/- 0.69   0.001% *  0.3245% (0.86   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  24.08 +/- 1.09   0.001% *  0.2808% (0.75   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  21.78 +/- 0.96   0.001% *  0.1409% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  26.65 +/- 1.37   0.000% *  0.3104% (0.82   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  25.30 +/- 2.70   0.001% *  0.1262% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  20.95 +/- 0.46   0.002% *  0.0589% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  28.73 +/- 0.47   0.000% *  0.3623% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  28.73 +/- 0.86   0.000% *  0.1262% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.724, support = 6.05, residual support = 44.6:
          QB    LYS+  33 - HN    ALA   34   2.84 +/- 0.14  94.229% * 93.1812% (0.72   6.05  44.66) =  99.979%  kept
          QB    LYS+  81 - HN    LEU   80   5.35 +/- 0.52   3.154% *  0.3295% (0.78   0.02  37.73) =   0.012%
          HB3   GLN   30 - HN    ALA   34   5.32 +/- 0.25   2.393% *  0.2914% (0.69   0.02   0.79) =   0.008%
          HB3   LYS+  38 - HN    ALA   34   9.09 +/- 0.58   0.107% *  0.3679% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  11.10 +/- 2.97   0.065% *  0.1999% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.32 +/- 0.51   0.026% *  0.3042% (0.72   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.52 +/- 0.57   0.004% *  0.3804% (0.89   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.31 +/- 0.68   0.004% *  0.2232% (0.52   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  15.75 +/- 0.25   0.003% *  0.2610% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  16.14 +/- 0.41   0.003% *  0.2573% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  17.18 +/- 1.06   0.002% *  0.3407% (0.80   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.25 +/- 0.42   0.003% *  0.2065% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.36 +/- 0.38   0.001% *  0.3666% (0.86   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  18.49 +/- 0.46   0.001% *  0.2759% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.32 +/- 0.66   0.001% *  0.2151% (0.51   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  22.98 +/- 0.45   0.000% *  0.3679% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  23.47 +/- 0.40   0.000% *  0.4094% (0.96   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  21.76 +/- 0.72   0.000% *  0.2304% (0.54   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  22.05 +/- 1.05   0.000% *  0.1999% (0.47   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  23.10 +/- 1.51   0.000% *  0.2232% (0.52   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  27.25 +/- 0.98   0.000% *  0.3295% (0.78   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.58 +/- 0.43   0.000% *  0.1296% (0.30   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  24.36 +/- 0.42   0.000% *  0.1447% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  26.70 +/- 0.60   0.000% *  0.2401% (0.56   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  28.39 +/- 0.40   0.000% *  0.3396% (0.80   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  29.07 +/- 0.38   0.000% *  0.1849% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.541, support = 6.81, residual support = 75.4:
      O   HA    LEU   80 - HN    LEU   80   2.92 +/- 0.01  88.162% * 53.4605% (0.50   7.20  83.03) =  90.229%  kept
          HA    ASP-  78 - HN    LEU   80   4.12 +/- 0.08  11.230% * 45.4373% (0.94   3.23   4.96) =   9.769%  kept
          HA    THR   23 - HN    LEU   80   7.01 +/- 0.44   0.507% *  0.2532% (0.85   0.02   0.02) =   0.002%
          HB    THR   23 - HN    LEU   80   9.34 +/- 0.58   0.091% *  0.1060% (0.36   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ALA   34  15.84 +/- 0.22   0.003% *  0.2093% (0.70   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  15.37 +/- 0.49   0.004% *  0.0876% (0.29   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.18 +/- 0.23   0.000% *  0.2329% (0.78   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  17.47 +/- 0.44   0.002% *  0.0409% (0.14   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  21.21 +/- 0.40   0.001% *  0.1228% (0.41   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  23.23 +/- 0.87   0.000% *  0.0494% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.757, support = 5.57, residual support = 49.4:
      O   HA    GLU-  79 - HN    LEU   80   3.63 +/- 0.01  94.491% * 96.1148% (0.76   5.57  49.40) =  99.990%  kept
          HB    THR   77 - HN    LEU   80   6.22 +/- 0.36   4.038% *  0.1330% (0.29   0.02   0.02) =   0.006%
          HA    THR   39 - HN    ALA   34   7.95 +/- 0.47   0.932% *  0.3091% (0.68   0.02   6.24) =   0.003%
          HA    SER   85 - HN    LEU   80   9.12 +/- 0.32   0.390% *  0.1330% (0.29   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   34  12.86 +/- 0.62   0.051% *  0.1465% (0.32   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  16.62 +/- 0.92   0.011% *  0.4077% (0.89   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  13.28 +/- 0.43   0.041% *  0.1075% (0.24   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  17.17 +/- 0.47   0.009% *  0.4225% (0.93   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.14 +/- 0.23   0.018% *  0.0889% (0.20   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  20.95 +/- 0.40   0.003% *  0.3493% (0.77   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  20.52 +/- 0.37   0.003% *  0.2854% (0.63   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  20.74 +/- 3.24   0.006% *  0.0793% (0.17   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  21.56 +/- 0.86   0.002% *  0.1772% (0.39   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  25.69 +/- 0.57   0.001% *  0.3739% (0.82   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.53 +/- 0.47   0.002% *  0.1100% (0.24   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  29.34 +/- 0.71   0.000% *  0.3371% (0.74   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.87 +/- 0.52   0.001% *  0.0991% (0.22   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  28.83 +/- 0.70   0.000% *  0.1198% (0.26   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  28.45 +/- 0.41   0.000% *  0.1100% (0.24   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  33.60 +/- 2.94   0.000% *  0.0960% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.79, support = 5.6, residual support = 49.4:
          HB3   GLU-  79 - HN    LEU   80   2.39 +/- 0.09  98.866% * 96.7736% (0.79   5.60  49.40) =  99.997%  kept
          QB    GLU-  36 - HN    ALA   34   5.24 +/- 0.26   0.951% *  0.3068% (0.70   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HN    ALA   34   8.44 +/- 0.35   0.055% *  0.3413% (0.78   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   34   8.75 +/- 0.81   0.092% *  0.1056% (0.24   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.80 +/- 0.32   0.022% *  0.2614% (0.60   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.31 +/- 0.87   0.010% *  0.3819% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  15.05 +/- 0.22   0.002% *  0.3162% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  17.48 +/- 0.32   0.001% *  0.4128% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.23 +/- 0.24   0.001% *  0.2857% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  22.18 +/- 0.43   0.000% *  0.3711% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  28.54 +/- 0.57   0.000% *  0.3158% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  27.61 +/- 1.10   0.000% *  0.1277% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 3.7, residual support = 17.5:
        T HN    ASN   35 - HN    ALA   34   2.48 +/- 0.09  99.994% * 97.7307% (0.80   3.70  17.54) = 100.000%  kept
          HN    ALA   12 - HN    ALA   34  19.18 +/- 3.02   0.001% *  0.6538% (0.99   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  13.76 +/- 0.40   0.004% *  0.1469% (0.22   0.02   0.02) =   0.000%
        T HN    ASN   35 - HN    LEU   80  21.14 +/- 0.35   0.000% *  0.4731% (0.72   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.90 +/- 0.75   0.001% *  0.1315% (0.20   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.06 +/- 0.68   0.000% *  0.1315% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  31.85 +/- 2.87   0.000% *  0.5856% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.54 +/- 0.67   0.000% *  0.1469% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.892, support = 4.81, residual support = 37.7:
          HN    LYS+  81 - HN    LEU   80   3.74 +/- 0.54  99.297% * 98.2390% (0.89   4.81  37.73) =  99.999%  kept
          HE3   TRP   27 - HN    ALA   34   9.73 +/- 0.28   0.387% *  0.1017% (0.22   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    LEU   80  10.84 +/- 0.41   0.219% *  0.0911% (0.20   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  14.01 +/- 0.35   0.046% *  0.3658% (0.80   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.98 +/- 0.34   0.029% *  0.3276% (0.72   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.55 +/- 0.43   0.012% *  0.1410% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  23.21 +/- 0.41   0.002% *  0.4558% (1.00   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  19.98 +/- 0.38   0.005% *  0.0717% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  24.85 +/- 0.39   0.001% *  0.1263% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  25.68 +/- 0.31   0.001% *  0.0800% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.705, support = 1.24, residual support = 1.83:
          HA    GLN   30 - HN    ALA   34   4.45 +/- 0.31  52.845% * 38.0811% (0.80   1.20   0.79) =  64.555%  kept
          HB    THR   39 - HN    ALA   34   5.76 +/- 1.03  17.157% * 36.0291% (0.61   1.50   6.24) =  19.829%  kept
          HB3   SER   37 - HN    ALA   34   5.12 +/- 0.58  24.872% * 19.4455% (0.45   1.10   0.52) =  15.515%  kept
          HB3   SER   82 - HN    LEU   80   6.76 +/- 0.37   4.374% *  0.6549% (0.82   0.02   0.32) =   0.092%
          HA    ILE   89 - HN    LEU   80   9.55 +/- 0.61   0.586% *  0.3180% (0.40   0.02   0.02) =   0.006%
          QB    SER   13 - HN    ALA   34  15.27 +/- 2.50   0.065% *  0.5124% (0.65   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    LEU   80  14.24 +/- 0.48   0.049% *  0.2662% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   80  16.44 +/- 0.81   0.021% *  0.6154% (0.78   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LEU   80  18.15 +/- 0.15   0.011% *  0.5680% (0.72   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   34  23.93 +/- 0.66   0.002% *  0.7311% (0.92   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  24.12 +/- 1.07   0.002% *  0.4303% (0.54   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  25.72 +/- 2.56   0.002% *  0.4589% (0.58   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  23.67 +/- 0.83   0.002% *  0.2973% (0.37   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  21.17 +/- 0.56   0.005% *  0.1222% (0.15   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  24.90 +/- 0.60   0.002% *  0.3180% (0.40   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  28.92 +/- 0.70   0.001% *  0.6870% (0.87   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  26.13 +/- 1.03   0.001% *  0.3551% (0.45   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  23.33 +/- 0.69   0.003% *  0.1095% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.738, support = 1.82, residual support = 4.76:
          HA    LEU   31 - HN    ALA   34   3.44 +/- 0.19  80.239% * 87.1543% (0.76   1.88   4.91) =  96.838%  kept
          HA    THR   77 - HN    LEU   80   4.46 +/- 0.41  19.753% * 11.5582% (0.34   0.57   0.02) =   3.161%
          HA    LEU   31 - HN    LEU   80  16.94 +/- 0.46   0.006% *  0.8316% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.46 +/- 0.34   0.003% *  0.4559% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.401, support = 3.22, residual support = 4.95:
          HA    ASP-  78 - HN    LEU   80   4.12 +/- 0.08  89.033% * 96.3444% (0.40   3.23   4.96) =  99.959%  kept
          HA    VAL   41 - HN    ALA   34   6.51 +/- 0.24   5.935% *  0.2605% (0.17   0.02   9.18) =   0.018%
          HA    THR   23 - HN    LEU   80   7.01 +/- 0.44   4.017% *  0.2637% (0.18   0.02   0.02) =   0.012%
          HA    PHE   45 - HN    LEU   80   8.88 +/- 0.41   0.952% *  0.9151% (0.61   0.02   0.02) =   0.010%
          HA    PHE   45 - HN    ALA   34  16.32 +/- 0.33   0.024% *  1.0217% (0.69   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ALA   34  15.84 +/- 0.22   0.028% *  0.2944% (0.20   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    LEU   80  19.01 +/- 0.46   0.009% *  0.2333% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.18 +/- 0.23   0.003% *  0.6669% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.654, support = 3.94, residual support = 26.6:
          QE    LYS+  33 - HN    ALA   34   4.97 +/- 0.56  44.016% * 42.6421% (0.52   5.24  44.66) =  56.403%  kept
          HB2   ASP-  78 - HN    LEU   80   5.42 +/- 0.20  23.285% * 36.2475% (0.88   2.67   4.96) =  25.363%  kept
          HB2   ASP-  76 - HN    LEU   80   5.22 +/- 0.30  31.120% * 19.4935% (0.75   1.68   0.64) =  18.230%  kept
          HB2   ASN   28 - HN    ALA   34   9.93 +/- 0.11   0.603% *  0.1272% (0.41   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    ALA   34  12.65 +/- 0.80   0.152% *  0.2247% (0.72   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    LEU   80   9.89 +/- 0.58   0.652% *  0.0375% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  13.03 +/- 0.33   0.119% *  0.1139% (0.37   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.98 +/- 0.46   0.012% *  0.2584% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  17.72 +/- 1.24   0.020% *  0.0860% (0.28   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  20.11 +/- 1.21   0.009% *  0.1458% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.25 +/- 0.39   0.004% *  0.3033% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  22.22 +/- 1.15   0.005% *  0.0770% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  28.36 +/- 0.46   0.001% *  0.2012% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  26.71 +/- 0.83   0.002% *  0.0419% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.435, support = 5.44, residual support = 49.4:
          HB2   GLU-  79 - HN    LEU   80   3.69 +/- 0.06  97.519% * 94.6007% (0.44   5.44  49.40) =  99.992%  kept
          HG3   GLU-  36 - HN    ALA   34   7.07 +/- 0.58   2.302% *  0.2719% (0.34   0.02   0.02) =   0.007%
          HG3   GLU-  25 - HN    LEU   80  12.72 +/- 0.31   0.059% *  0.6998% (0.88   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  12.85 +/- 1.75   0.073% *  0.2435% (0.30   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.38 +/- 0.23   0.019% *  0.7814% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  17.23 +/- 0.86   0.010% *  0.6193% (0.78   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.35 +/- 0.31   0.006% *  0.3880% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  19.98 +/- 0.80   0.004% *  0.2935% (0.37   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  21.42 +/- 0.41   0.003% *  0.3277% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  23.25 +/- 0.50   0.002% *  0.2680% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.75 +/- 0.49   0.001% *  0.2992% (0.37   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  28.92 +/- 0.82   0.000% *  0.6915% (0.87   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  24.99 +/- 1.15   0.001% *  0.2719% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  25.70 +/- 0.59   0.001% *  0.2435% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 1 structures by 0.01 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.775, support = 5.6, residual support = 49.4:
          HB3   GLU-  79 - HN    LEU   80   2.39 +/- 0.09  97.471% * 97.3589% (0.78   5.60  49.40) =  99.995%  kept
          QB    GLU-  36 - HN    ALA   34   5.24 +/- 0.26   0.937% *  0.3583% (0.80   0.02   0.02) =   0.004%
          QB    GLN   32 - HN    ALA   34   4.94 +/- 0.19   1.300% *  0.0784% (0.17   0.02   0.72) =   0.001%
          HB    VAL   24 - HN    LEU   80   6.90 +/- 0.47   0.184% *  0.0892% (0.20   0.02   2.25) =   0.000%
          HB3   GLU-  29 - HN    ALA   34   8.44 +/- 0.35   0.054% *  0.2178% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    ALA   34  10.43 +/- 0.93   0.016% *  0.2178% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.80 +/- 0.32   0.022% *  0.0784% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.31 +/- 0.87   0.010% *  0.1237% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.23 +/- 0.24   0.001% *  0.3882% (0.87   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.81 +/- 0.28   0.002% *  0.0996% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  17.48 +/- 0.32   0.001% *  0.1951% (0.44   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  15.05 +/- 0.22   0.002% *  0.0702% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  22.18 +/- 0.43   0.000% *  0.3209% (0.72   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  17.91 +/- 0.39   0.001% *  0.0702% (0.16   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  26.72 +/- 0.77   0.000% *  0.1951% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  28.54 +/- 0.57   0.000% *  0.1381% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.674, support = 0.0197, residual support = 0.0197:
          QG1   VAL   75 - HN    LEU   80   5.02 +/- 0.96  98.829% * 21.3996% (0.68   0.02   0.02) =  98.678%  kept
          QG1   VAL   75 - HN    ALA   34  12.51 +/- 0.49   1.045% * 23.8922% (0.76   0.02   0.02) =   1.165%
          QD1   LEU  115 - HN    LEU   80  18.51 +/- 0.85   0.084% * 25.8487% (0.82   0.02   0.02) =   0.102%
          QD1   LEU  115 - HN    ALA   34  20.31 +/- 0.51   0.041% * 28.8595% (0.92   0.02   0.02) =   0.055%
    Distance limit 4.87 A violated in 8 structures by 0.43 A, eliminated.
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.364, support = 6.57, residual support = 83.0:
          QD2   LEU   80 - HN    LEU   80   3.13 +/- 0.56  65.616% * 64.1901% (0.40   6.44  83.03) =  83.688%  kept
          QD1   LEU   80 - HN    LEU   80   3.85 +/- 1.01  25.695% * 31.8748% (0.18   7.25  83.03) =  16.274%  kept
          QG2   VAL   41 - HN    ALA   34   5.07 +/- 0.26   5.633% *  0.1693% (0.34   0.02   9.18) =   0.019%
          QD1   LEU   73 - HN    ALA   34   5.89 +/- 0.18   2.081% *  0.4145% (0.83   0.02   0.02) =   0.017%
          QD2   LEU   98 - HN    ALA   34   7.35 +/- 0.81   0.792% *  0.0982% (0.20   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    LEU   80  10.84 +/- 0.23   0.058% *  0.3712% (0.75   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  10.83 +/- 0.47   0.062% *  0.1237% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.47 +/- 0.48   0.010% *  0.4145% (0.83   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.82 +/- 0.83   0.010% *  0.4450% (0.89   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  13.95 +/- 0.49   0.013% *  0.1516% (0.30   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  15.60 +/- 0.44   0.006% *  0.2225% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  17.54 +/- 0.50   0.003% *  0.3712% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  14.58 +/- 0.81   0.010% *  0.0880% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  19.65 +/- 0.47   0.002% *  0.3986% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  19.69 +/- 0.50   0.002% *  0.2415% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.90 +/- 0.55   0.001% *  0.2163% (0.44   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  17.46 +/- 0.79   0.003% *  0.0982% (0.20   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  21.37 +/- 0.82   0.001% *  0.1108% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.53, support = 0.0193, residual support = 0.0193:
          HB3   LEU  104 - HN    ALA   34  14.76 +/- 0.43  71.023% *  7.0378% (0.22   0.02   0.02) =  44.987%  kept
          QD2   LEU  123 - HN    ALA   34  20.17 +/- 0.55  11.061% * 31.5414% (1.00   0.02   0.02) =  31.399%  kept
          HG3   LYS+ 121 - HN    ALA   34  20.26 +/- 0.77  10.770% * 14.1725% (0.45   0.02   0.02) =  13.738%  kept
          QD2   LEU  123 - HN    LEU   80  25.94 +/- 0.58   2.450% * 28.2508% (0.89   0.02   0.02) =   6.229%  kept
          HG3   LYS+ 121 - HN    LEU   80  27.55 +/- 0.79   1.709% * 12.6939% (0.40   0.02   0.02) =   1.952%
          HB3   LEU  104 - HN    LEU   80  25.09 +/- 0.63   2.988% *  6.3036% (0.20   0.02   0.02) =   1.695%
    Distance limit 4.70 A violated in 20 structures by 9.35 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.74, support = 6.05, residual support = 44.6:
          QB    LYS+  33 - HN    ALA   34   2.84 +/- 0.14  94.229% * 93.5180% (0.74   6.05  44.66) =  99.982%  kept
          QB    LYS+  81 - HN    LEU   80   5.35 +/- 0.52   3.154% *  0.3944% (0.94   0.02  37.73) =   0.014%
          HB3   GLN   30 - HN    ALA   34   5.32 +/- 0.25   2.393% *  0.1343% (0.32   0.02   0.79) =   0.004%
          HB3   LYS+  38 - HN    ALA   34   9.09 +/- 0.58   0.107% *  0.1982% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.32 +/- 0.51   0.026% *  0.3874% (0.93   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  11.10 +/- 2.97   0.065% *  0.1099% (0.26   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.52 +/- 0.57   0.004% *  0.3268% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.31 +/- 0.68   0.004% *  0.2617% (0.63   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  17.18 +/- 1.06   0.002% *  0.3952% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  16.14 +/- 0.41   0.003% *  0.2835% (0.68   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.25 +/- 0.42   0.003% *  0.2497% (0.60   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  15.75 +/- 0.25   0.003% *  0.1625% (0.39   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  18.49 +/- 0.46   0.001% *  0.3739% (0.89   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.32 +/- 0.66   0.001% *  0.3301% (0.79   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.36 +/- 0.38   0.001% *  0.3020% (0.72   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  21.76 +/- 0.72   0.000% *  0.3428% (0.82   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  22.05 +/- 1.05   0.000% *  0.3165% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  22.98 +/- 0.45   0.000% *  0.3261% (0.78   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  23.47 +/- 0.40   0.000% *  0.2497% (0.60   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  26.70 +/- 0.60   0.000% *  0.2730% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  23.10 +/- 1.51   0.000% *  0.0909% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  28.39 +/- 0.40   0.000% *  0.3203% (0.77   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  27.25 +/- 0.98   0.000% *  0.2397% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  29.07 +/- 0.38   0.000% *  0.3020% (0.72   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.58 +/- 0.43   0.000% *  0.0610% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  24.36 +/- 0.42   0.000% *  0.0504% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.241, support = 3.76, residual support = 25.5:
      O   QB    ALA   34 - HN    ALA   34   2.06 +/- 0.08  99.756% * 91.7543% (0.24   3.76  25.47) =  99.997%  kept
          QG2   THR   77 - HN    LEU   80   6.15 +/- 0.33   0.153% *  1.5333% (0.76   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    LEU   80   7.41 +/- 0.73   0.056% *  1.2388% (0.61   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.26 +/- 0.49   0.027% *  0.2443% (0.12   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  10.72 +/- 0.52   0.005% *  0.7872% (0.39   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.28 +/- 0.58   0.001% *  1.0242% (0.51   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.59 +/- 0.44   0.000% *  1.2678% (0.63   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  13.50 +/- 0.29   0.001% *  0.3354% (0.17   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.65 +/- 0.28   0.000% *  0.5910% (0.29   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  18.73 +/- 0.53   0.000% *  0.2773% (0.14   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  25.51 +/- 0.71   0.000% *  0.6509% (0.32   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  27.07 +/- 0.78   0.000% *  0.2955% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.476, support = 5.92, residual support = 83.0:
      O   HB2   LEU   80 - HN    LEU   80   3.23 +/- 0.14  80.450% * 22.2523% (0.26   5.56  83.03) =  56.847%  kept
          HG    LEU   80 - HN    LEU   80   4.29 +/- 0.41  18.433% * 73.7154% (0.76   6.40  83.03) =  43.147%  kept
          HG    LEU   73 - HN    ALA   34   7.44 +/- 1.03   0.763% *  0.1987% (0.65   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    ALA   34   9.85 +/- 1.06   0.150% *  0.1634% (0.54   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ALA   34  10.61 +/- 0.91   0.074% *  0.0812% (0.27   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  12.91 +/- 0.45   0.020% *  0.2374% (0.78   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  13.90 +/- 0.79   0.014% *  0.2404% (0.79   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  14.56 +/- 0.44   0.010% *  0.2199% (0.72   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  14.61 +/- 1.04   0.010% *  0.1728% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80  11.89 +/- 0.31   0.032% *  0.0444% (0.15   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  17.36 +/- 0.42   0.003% *  0.2722% (0.89   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  16.94 +/- 0.46   0.004% *  0.2251% (0.74   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  17.89 +/- 0.60   0.003% *  0.2296% (0.75   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  17.93 +/- 0.27   0.003% *  0.1977% (0.65   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  14.81 +/- 0.70   0.009% *  0.0593% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  13.91 +/- 0.43   0.013% *  0.0367% (0.12   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  18.93 +/- 0.64   0.002% *  0.1905% (0.63   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  20.91 +/- 0.26   0.001% *  0.1818% (0.60   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  24.16 +/- 0.55   0.000% *  0.2871% (0.94   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  24.35 +/- 0.69   0.000% *  0.2777% (0.91   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  21.45 +/- 0.63   0.001% *  0.0982% (0.32   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  20.71 +/- 0.59   0.001% *  0.0662% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  20.09 +/- 1.54   0.002% *  0.0417% (0.14   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  23.05 +/- 1.36   0.001% *  0.0982% (0.32   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  22.12 +/- 0.43   0.001% *  0.0812% (0.27   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  26.85 +/- 0.84   0.000% *  0.2090% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  25.07 +/- 0.60   0.000% *  0.0718% (0.24   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  26.93 +/- 1.16   0.000% *  0.0504% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.74, support = 0.783, residual support = 8.57:
          QG1   VAL   41 - HN    ALA   34   4.57 +/- 0.19  60.356% * 46.5359% (0.78   0.75   9.18) =  86.258%  kept
          HG    LEU   31 - HN    ALA   34   6.51 +/- 0.75  10.331% * 41.5233% (0.51   1.03   4.91) =  13.175%  kept
          QD2   LEU   73 - HN    ALA   34   5.46 +/- 0.24  20.895% *  0.6054% (0.38   0.02   0.02) =   0.388%
          QG1   VAL   43 - HN    ALA   34   8.09 +/- 0.42   2.025% *  1.1481% (0.72   0.02   0.02) =   0.071%
          QD1   ILE   19 - HN    ALA   34   7.37 +/- 0.58   3.869% *  0.3458% (0.22   0.02   0.02) =   0.041%
          QG2   THR   46 - HN    LEU   80   8.65 +/- 0.44   1.364% *  0.9124% (0.57   0.02   0.02) =   0.038%
          QG1   VAL   43 - HN    LEU   80  11.49 +/- 0.40   0.242% *  1.3886% (0.87   0.02   0.02) =   0.010%
          QG2   VAL   18 - HN    ALA   34  11.95 +/- 0.44   0.190% *  0.9031% (0.57   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    LEU   80  12.78 +/- 0.18   0.125% *  0.7322% (0.46   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    LEU   80  14.25 +/- 0.99   0.070% *  1.0923% (0.69   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LEU   80  14.32 +/- 1.04   0.070% *  0.9731% (0.61   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    ALA   34  11.38 +/- 0.65   0.280% *  0.2178% (0.14   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    LEU   80  16.33 +/- 0.59   0.029% *  1.5009% (0.94   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  15.73 +/- 0.40   0.036% *  0.7544% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    LEU   80  14.32 +/- 0.47   0.064% *  0.4182% (0.26   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  16.08 +/- 0.46   0.032% *  0.3751% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  18.23 +/- 0.26   0.015% *  0.3101% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  21.28 +/- 0.91   0.006% *  0.2634% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.44, residual support = 83.0:
          QD2   LEU   80 - HN    LEU   80   3.13 +/- 0.56  94.030% * 97.1295% (0.85   6.44  83.03) =  99.989%  kept
          QD1   LEU   73 - HN    ALA   34   5.89 +/- 0.18   2.713% *  0.2725% (0.77   0.02   0.02) =   0.008%
          QG1   VAL   83 - HN    LEU   80   5.94 +/- 0.37   3.050% *  0.0838% (0.24   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    LEU   80  10.84 +/- 0.23   0.076% *  0.3295% (0.93   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  10.83 +/- 0.47   0.082% *  0.1909% (0.54   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.47 +/- 0.48   0.014% *  0.2725% (0.77   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  15.60 +/- 0.44   0.008% *  0.2493% (0.70   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.82 +/- 0.83   0.012% *  0.1246% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  17.54 +/- 0.50   0.004% *  0.3295% (0.93   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.90 +/- 0.55   0.002% *  0.3103% (0.87   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  19.69 +/- 0.50   0.002% *  0.2566% (0.72   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  19.65 +/- 0.47   0.002% *  0.1507% (0.42   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  21.37 +/- 0.82   0.001% *  0.2309% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  18.37 +/- 0.76   0.003% *  0.0693% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.456, support = 0.0198, residual support = 0.0198:
          QG1   VAL   75 - HN    LEU   80   5.02 +/- 0.96  98.829% * 33.4988% (0.46   0.02   0.02) =  99.058%  kept
          QG1   VAL   75 - HN    ALA   34  12.51 +/- 0.49   1.045% * 27.6972% (0.38   0.02   0.02) =   0.866%
          QD1   LEU  115 - HN    LEU   80  18.51 +/- 0.85   0.084% * 21.2414% (0.29   0.02   0.02) =   0.054%
          QD1   LEU  115 - HN    ALA   34  20.31 +/- 0.51   0.041% * 17.5626% (0.24   0.02   0.02) =   0.022%
    Distance limit 4.67 A violated in 9 structures by 0.52 A, eliminated.
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.609, support = 3.46, residual support = 24.8:
      O   HA    ALA   34 - HN    ALA   34   2.84 +/- 0.02  94.528% * 59.3576% (0.63   3.56  25.47) =  97.173%  kept
          HA    LYS+  81 - HN    LEU   80   4.72 +/- 0.15   4.578% * 35.6131% (0.29   4.58  37.73) =   2.823%
          HA    ASN   28 - HN    ALA   34   7.40 +/- 0.11   0.303% *  0.3943% (0.74   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   34   6.86 +/- 0.06   0.478% *  0.0928% (0.17   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    ALA   34  10.20 +/- 1.57   0.065% *  0.2528% (0.47   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  13.97 +/- 0.36   0.007% *  0.4769% (0.89   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ALA   34  10.91 +/- 0.27   0.030% *  0.0730% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  13.73 +/- 0.26   0.007% *  0.0883% (0.17   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.25 +/- 0.45   0.001% *  0.4211% (0.79   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.66 +/- 0.67   0.000% *  0.4654% (0.87   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  22.16 +/- 0.31   0.000% *  0.4037% (0.76   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.20 +/- 0.57   0.000% *  0.3848% (0.72   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  23.04 +/- 1.90   0.000% *  0.3058% (0.57   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.21 +/- 0.40   0.000% *  0.3482% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  25.06 +/- 0.62   0.000% *  0.3027% (0.57   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.44 +/- 0.82   0.000% *  0.2260% (0.42   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.77 +/- 0.96   0.000% *  0.1869% (0.35   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  24.68 +/- 0.42   0.000% *  0.1286% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.78 +/- 0.44   0.000% *  0.1122% (0.21   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  34.25 +/- 0.66   0.000% *  0.3661% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.572, support = 1.8, residual support = 4.71:
          HA    LEU   31 - HN    ALA   34   3.44 +/- 0.19  80.239% * 83.5286% (0.60   1.88   4.91) =  95.778%  kept
          HA    THR   77 - HN    LEU   80   4.46 +/- 0.41  19.753% * 14.9583% (0.36   0.57   0.02) =   4.222%
          HA    LEU   31 - HN    LEU   80  16.94 +/- 0.46   0.006% *  1.0762% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.46 +/- 0.34   0.003% *  0.4370% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.679, support = 4.11, residual support = 28.6:
          QE    LYS+  33 - HN    ALA   34   4.97 +/- 0.56  44.016% * 46.8976% (0.60   5.24  44.66) =  61.113%  kept
          HB2   ASP-  78 - HN    LEU   80   5.42 +/- 0.20  23.285% * 37.0594% (0.93   2.67   4.96) =  25.547%  kept
          HB2   ASP-  76 - HN    LEU   80   5.22 +/- 0.30  31.120% * 14.4722% (0.57   1.68   0.64) =  13.334%  kept
          HB2   ASN   28 - HN    ALA   34   9.93 +/- 0.11   0.603% *  0.1515% (0.51   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    LEU   80   9.89 +/- 0.58   0.652% *  0.0788% (0.26   0.02   0.02) =   0.002%
          HB2   ASN   28 - HN    LEU   80  13.03 +/- 0.33   0.119% *  0.1833% (0.61   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ALA   34  12.65 +/- 0.80   0.152% *  0.1140% (0.38   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ALA   34  17.72 +/- 1.24   0.020% *  0.1140% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  20.11 +/- 1.21   0.009% *  0.2165% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.98 +/- 0.46   0.012% *  0.1421% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.25 +/- 0.39   0.004% *  0.2296% (0.77   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  22.22 +/- 1.15   0.005% *  0.1379% (0.46   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  28.36 +/- 0.46   0.001% *  0.1379% (0.46   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  26.71 +/- 0.83   0.002% *  0.0651% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.46, support = 5.44, residual support = 49.4:
          HB2   GLU-  79 - HN    LEU   80   3.69 +/- 0.06  97.519% * 95.3507% (0.46   5.44  49.40) =  99.994%  kept
          HG3   GLU-  36 - HN    ALA   34   7.07 +/- 0.58   2.302% *  0.2030% (0.27   0.02   0.02) =   0.005%
          HG3   GLU-  25 - HN    LEU   80  12.72 +/- 0.31   0.059% *  0.7054% (0.93   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  12.85 +/- 1.75   0.073% *  0.2455% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.38 +/- 0.23   0.019% *  0.5832% (0.77   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  17.23 +/- 0.86   0.010% *  0.6242% (0.82   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.35 +/- 0.31   0.006% *  0.2896% (0.38   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  19.98 +/- 0.80   0.004% *  0.2959% (0.39   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  21.42 +/- 0.41   0.003% *  0.2446% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  23.25 +/- 0.50   0.002% *  0.2701% (0.36   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.75 +/- 0.49   0.001% *  0.2233% (0.29   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  28.92 +/- 0.82   0.000% *  0.5161% (0.68   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  24.99 +/- 1.15   0.001% *  0.2030% (0.27   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  25.70 +/- 0.59   0.001% *  0.2455% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 2 structures by 0.04 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.744, support = 6.55, residual support = 41.7:
      O   HA    LYS+  33 - HN    ALA   34   3.61 +/- 0.02  69.723% * 79.9002% (0.78   6.66  44.66) =  93.200%  kept
          HA    GLN   32 - HN    ALA   34   4.32 +/- 0.20  24.326% * 16.6777% (0.22   5.00   0.72) =   6.787%  kept
          HB2   SER   82 - HN    LEU   80   7.41 +/- 0.53   1.053% *  0.2603% (0.85   0.02   0.32) =   0.005%
          HA    GLU-  29 - HN    ALA   34   7.52 +/- 0.25   0.865% *  0.2316% (0.75   0.02   0.02) =   0.003%
          HB2   SER   37 - HN    ALA   34   6.28 +/- 0.68   3.289% *  0.0534% (0.17   0.02   0.52) =   0.003%
          HA    VAL   70 - HN    ALA   34   8.72 +/- 0.32   0.364% *  0.2082% (0.68   0.02   0.02) =   0.001%
          HA    SER   48 - HN    LEU   80  10.02 +/- 0.96   0.184% *  0.1527% (0.50   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  11.97 +/- 0.52   0.055% *  0.2270% (0.74   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  10.69 +/- 0.70   0.110% *  0.0896% (0.29   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  17.18 +/- 0.26   0.006% *  0.2801% (0.91   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  17.94 +/- 0.34   0.005% *  0.2746% (0.89   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.14 +/- 0.72   0.013% *  0.0448% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  22.48 +/- 0.35   0.001% *  0.2902% (0.95   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  23.38 +/- 0.38   0.001% *  0.2518% (0.82   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  20.33 +/- 0.44   0.002% *  0.0807% (0.26   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  24.74 +/- 0.80   0.001% *  0.2152% (0.70   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.09 +/- 0.56   0.001% *  0.1263% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.46 +/- 0.38   0.001% *  0.2082% (0.68   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  26.54 +/- 0.60   0.000% *  0.2518% (0.82   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  26.04 +/- 0.69   0.000% *  0.0646% (0.21   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  29.23 +/- 0.79   0.000% *  0.0741% (0.24   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.18 +/- 0.70   0.000% *  0.0370% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.311, support = 0.0194, residual support = 0.451:
          HN    GLN   30 - HN    ALA   34   6.23 +/- 0.21  75.856% *  5.3388% (0.17   0.02   0.79) =  56.006%  kept
          HN    GLU-  29 - HN    ALA   34   8.39 +/- 0.17  12.672% * 18.4898% (0.61   0.02   0.02) =  32.404%  kept
          HN    ASP-  86 - HN    LEU   80   8.81 +/- 0.43  10.055% *  6.0789% (0.20   0.02   0.02) =   8.453%  kept
          HN    VAL   18 - HN    ALA   34  14.38 +/- 0.51   0.513% * 22.1363% (0.72   0.02   0.02) =   1.571%
          HN    GLU-  29 - HN    LEU   80  14.50 +/- 0.24   0.487% * 16.5608% (0.54   0.02   0.02) =   1.116%
          HN    VAL   18 - HN    LEU   80  19.50 +/- 0.57   0.082% * 19.8269% (0.65   0.02   0.02) =   0.226%
          HN    GLN   30 - HN    LEU   80  15.51 +/- 0.16   0.323% *  4.7818% (0.16   0.02   0.02) =   0.213%
        T HN    ASP-  86 - HN    ALA   34  26.98 +/- 0.63   0.012% *  6.7869% (0.22   0.02   0.02) =   0.011%
    Distance limit 4.00 A violated in 20 structures by 1.96 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.21, support = 0.0191, residual support = 0.416:
          HN    GLN   30 - HN    ALA   34   6.23 +/- 0.21  75.856% *  3.7410% (0.11   0.02   0.79) =  51.540%  kept
          HN    GLU-  29 - HN    ALA   34   8.39 +/- 0.17  12.672% * 14.5433% (0.41   0.02   0.02) =  33.472%  kept
          HN    ASP-  86 - HN    LEU   80   8.81 +/- 0.43  10.055% *  5.8551% (0.17   0.02   0.02) =  10.692%  kept
          HN    VAL   18 - HN    ALA   34  14.38 +/- 0.51   0.513% * 22.1344% (0.63   0.02   0.02) =   2.063%
          HN    GLU-  29 - HN    LEU   80  14.50 +/- 0.24   0.487% * 17.5897% (0.50   0.02   0.02) =   1.556%
          HN    VAL   18 - HN    LEU   80  19.50 +/- 0.57   0.082% * 26.7708% (0.76   0.02   0.02) =   0.401%
          HN    GLN   30 - HN    LEU   80  15.51 +/- 0.16   0.323% *  4.5246% (0.13   0.02   0.02) =   0.265%
        T HN    ASP-  86 - HN    ALA   34  26.98 +/- 0.63   0.012% *  4.8411% (0.14   0.02   0.02) =   0.010%
    Distance limit 3.98 A violated in 20 structures by 1.98 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 3.7, residual support = 17.5:
        T HN    ASN   35 - HN    ALA   34   2.48 +/- 0.09  99.994% * 96.6545% (0.54   3.70  17.54) = 100.000%  kept
          HN    PHE   97 - HN    ALA   34  13.76 +/- 0.40   0.004% *  0.2347% (0.24   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  19.18 +/- 3.02   0.001% *  0.7588% (0.78   0.02   0.02) =   0.000%
        T HN    ASN   35 - HN    LEU   80  21.14 +/- 0.35   0.000% *  0.6318% (0.65   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.90 +/- 0.75   0.001% *  0.2839% (0.29   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.06 +/- 0.68   0.000% *  0.2839% (0.29   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  31.85 +/- 2.87   0.000% *  0.9177% (0.94   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.54 +/- 0.67   0.000% *  0.2347% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.938, support = 4.81, residual support = 37.7:
          HN    LYS+  81 - HN    LEU   80   3.74 +/- 0.54  99.303% * 98.5575% (0.94   4.81  37.73) =  99.999%  kept
          HE3   TRP   27 - HN    ALA   34   9.73 +/- 0.28   0.387% *  0.0527% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  14.01 +/- 0.35   0.046% *  0.3064% (0.70   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    LEU   80  10.84 +/- 0.41   0.219% *  0.0638% (0.15   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.98 +/- 0.34   0.029% *  0.3706% (0.85   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.55 +/- 0.43   0.012% *  0.1405% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  23.21 +/- 0.41   0.002% *  0.3386% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  24.85 +/- 0.39   0.001% *  0.1699% (0.39   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1103
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     47
      with multiple assignment possibilities :    925
      with given assignment possibilities    :      0
      with unique volume contribution        :    772
      with multiple volume contributions     :    200
      eliminated by violation filter         :     58
 
    Peaks:
      selected                               :   1103
      without assignment                     :     73
      with assignment                        :   1030
      with unique assignment                 :    849
      with multiple assignment               :    181
      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             :    901
 
    Atoms with eliminated volume contribution > 2.5:
    QD2   LEU   31       3.0
    HN    ALA   34       2.6
    HN    ASP-  62       2.7
    HN    THR   94       3.0
    HN    LYS+ 102       3.9
 
    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 = 0.641, support = 3.39, residual support = 46.1:
      O T HB2   GLU-  14 - HA    GLU-  14   2.74 +/- 0.21  82.988% * 21.9790% (0.39   2.96  46.08) =  58.927%  kept
    * O T HG2   MET   11 - HA    MET   11   3.73 +/- 0.46  16.744% * 75.9285% (1.00   4.00  46.05) =  41.072%  kept
        T HB2   GLU-  14 - HA    MET   11   9.78 +/- 1.43   0.106% *  0.3788% (1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  10.10 +/- 1.58   0.093% *  0.1490% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14   9.35 +/- 0.51   0.064% *  0.0414% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  15.92 +/- 1.86   0.004% *  0.1056% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.60 +/- 1.09   0.000% *  0.1460% (0.38   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.67 +/- 2.30   0.000% *  0.3721% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.04 +/- 1.49   0.000% *  0.0612% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.55 +/- 1.55   0.000% *  0.1460% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  38.02 +/- 2.22   0.000% *  0.3721% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.73 +/- 1.95   0.000% *  0.1561% (0.41   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  26.08 +/- 1.45   0.000% *  0.0261% (0.07   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  34.10 +/- 2.67   0.000% *  0.0665% (0.18   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  30.99 +/- 1.49   0.000% *  0.0202% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  39.30 +/- 2.01   0.000% *  0.0514% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.77, support = 3.62, residual support = 46.1:
    * O T HG3   MET   11 - HA    MET   11   3.29 +/- 0.69  32.177% * 77.2598% (1.00   4.00  46.05) =  63.409%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.74 +/- 0.21  67.656% * 21.2028% (0.37   2.96  46.08) =  36.590%  kept
        T HB3   GLU-  14 - HA    MET   11  10.01 +/- 1.37   0.052% *  0.3654% (0.95   0.02   0.02) =   0.000%
        T HG3   MET   11 - HA    GLU-  14   9.86 +/- 1.55   0.105% *  0.1516% (0.39   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  13.42 +/- 1.80   0.007% *  0.0265% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.52 +/- 1.54   0.002% *  0.0468% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  20.70 +/- 3.23   0.001% *  0.0677% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.37 +/- 2.30   0.000% *  0.1192% (0.31   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  23.15 +/- 1.63   0.000% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  22.02 +/- 1.02   0.000% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  31.40 +/- 2.35   0.000% *  0.2654% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.92 +/- 2.38   0.000% *  0.1732% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.08 +/- 2.19   0.000% *  0.0421% (0.11   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  37.49 +/- 2.87   0.000% *  0.1074% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.16 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 = 0.686, support = 3.58, residual support = 44.2:
    * O T HA    MET   11 - HG2   MET   11   3.73 +/- 0.46  15.985% * 64.8477% (1.00   4.00  46.05) =  60.523%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.74 +/- 0.21  78.865% *  7.3806% (0.15   2.96  46.08) =  33.986%  kept
          HA    ALA   12 - HG2   MET   11   5.03 +/- 0.80   3.827% * 24.5539% (0.53   2.88  12.68) =   5.487%  kept
          HA    ALA   12 - HB2   GLU-  14   6.77 +/- 0.77   0.580% *  0.0639% (0.20   0.02   0.02) =   0.002%
        T HA    MET   11 - HB2   GLU-  14   9.78 +/- 1.43   0.100% *  0.1214% (0.37   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  10.10 +/- 1.58   0.087% *  0.1333% (0.41   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   ARG+  54   7.31 +/- 0.38   0.279% *  0.0118% (0.04   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.18 +/- 0.14   0.263% *  0.0048% (0.01   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  15.39 +/- 1.93   0.004% *  0.0591% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.23 +/- 0.32   0.004% *  0.0313% (0.10   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  21.95 +/- 2.88   0.000% *  0.1578% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.19 +/- 2.00   0.001% *  0.1212% (0.37   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  16.01 +/- 0.71   0.002% *  0.0307% (0.09   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.53 +/- 2.10   0.000% *  0.1121% (0.35   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.78 +/- 2.23   0.000% *  0.3235% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  24.16 +/- 1.94   0.000% *  0.0687% (0.21   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  19.29 +/- 0.85   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.25 +/- 2.66   0.000% *  0.2993% (0.92   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  27.09 +/- 2.05   0.000% *  0.1190% (0.37   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  21.30 +/- 1.58   0.000% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  23.35 +/- 1.10   0.000% *  0.0307% (0.09   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  32.12 +/- 3.33   0.000% *  0.1836% (0.57   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  35.58 +/- 2.85   0.000% *  0.3178% (0.98   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.87 +/- 0.25   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  28.95 +/- 2.41   0.000% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  34.59 +/- 1.98   0.000% *  0.1190% (0.37   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  42.71 +/- 3.29   0.000% *  0.3178% (0.98   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  30.64 +/- 1.93   0.000% *  0.0456% (0.14   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  26.08 +/- 1.45   0.000% *  0.0129% (0.04   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  38.14 +/- 2.69   0.000% *  0.1217% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  27.35 +/- 0.93   0.000% *  0.0153% (0.05   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  28.68 +/- 0.45   0.000% *  0.0153% (0.05   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  36.95 +/- 2.08   0.000% *  0.0591% (0.18   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.10 +/- 2.67   0.000% *  0.0313% (0.10   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  45.13 +/- 3.45   0.000% *  0.1578% (0.49   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  31.09 +/- 2.09   0.000% *  0.0165% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.892, support = 3.3, residual support = 46.1:
    * O T QB    MET   11 - HG2   MET   11   2.29 +/- 0.14  54.553% * 80.4030% (1.00   3.31  46.05) =  86.303%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.40 +/- 0.15  42.335% * 16.4290% (0.21   3.19  46.08) =  13.685%  kept
        T QG    GLU-  14 - HG2   MET   11   8.98 +/- 1.84   1.378% *  0.2748% (0.57   0.02   0.02) =   0.007%
        T QG    GLU-  15 - HB2   GLU-  14   5.23 +/- 1.14   1.673% *  0.1320% (0.27   0.02   0.80) =   0.004%
        T QB    MET   11 - HB2   GLU-  14   9.01 +/- 1.42   0.040% *  0.1818% (0.37   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.04 +/- 1.95   0.006% *  0.3525% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.85 +/- 2.15   0.007% *  0.0885% (0.18   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  16.18 +/- 2.24   0.001% *  0.0682% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.46 +/- 0.44   0.001% *  0.0285% (0.06   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.20 +/- 1.80   0.000% *  0.1103% (0.23   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  21.76 +/- 4.12   0.000% *  0.1822% (0.38   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.54 +/- 2.34   0.000% *  0.2363% (0.49   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  14.63 +/- 1.93   0.001% *  0.0176% (0.04   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.24 +/- 1.07   0.001% *  0.0193% (0.04   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.96 +/- 0.83   0.001% *  0.0145% (0.03   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.78 +/- 2.09   0.000% *  0.2945% (0.61   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.28 +/- 0.36   0.001% *  0.0072% (0.01   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.38 +/- 0.52   0.000% *  0.0228% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  22.48 +/- 1.95   0.000% *  0.0453% (0.09   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  18.38 +/- 0.61   0.000% *  0.0117% (0.02   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  22.82 +/- 0.94   0.000% *  0.0341% (0.07   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  30.71 +/- 3.18   0.000% *  0.1211% (0.25   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  26.65 +/- 1.89   0.000% *  0.0561% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.19 +/- 1.60   0.000% *  0.0281% (0.06   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.22 +/- 1.53   0.000% *  0.0266% (0.05   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  29.84 +/- 2.04   0.000% *  0.0747% (0.15   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  33.53 +/- 2.04   0.000% *  0.1498% (0.31   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  30.76 +/- 2.26   0.000% *  0.0682% (0.14   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  37.21 +/- 2.59   0.000% *  0.1996% (0.41   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.28 +/- 2.27   0.000% *  0.0749% (0.15   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  30.27 +/- 2.76   0.000% *  0.0469% (0.10   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  39.02 +/- 2.63   0.000% *  0.1822% (0.38   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  34.71 +/- 0.92   0.000% *  0.0176% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 0.864, support = 3.79, residual support = 46.1:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.982% * 77.6887% (1.00   4.00  46.05) =  79.008%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.983% * 20.6412% (0.35   3.00  46.08) =  20.992%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.43 +/- 1.99   0.027% *  0.3675% (0.95   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14   9.91 +/- 1.64   0.004% *  0.1455% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54   8.59 +/- 0.60   0.004% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  12.68 +/- 1.99   0.001% *  0.0255% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.55 +/- 1.97   0.000% *  0.0449% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  21.18 +/- 3.30   0.000% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.66 +/- 2.43   0.000% *  0.1199% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  15.46 +/- 1.04   0.000% *  0.0104% (0.03   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  23.16 +/- 2.09   0.000% *  0.0999% (0.26   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.55 +/- 0.40   0.000% *  0.0258% (0.07   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  23.22 +/- 1.25   0.000% *  0.0652% (0.17   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  29.76 +/- 2.83   0.000% *  0.1742% (0.45   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  31.66 +/- 2.48   0.000% *  0.2668% (0.69   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  26.86 +/- 1.89   0.000% *  0.0355% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  29.30 +/- 2.71   0.000% *  0.0404% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  25.18 +/- 0.59   0.000% *  0.0116% (0.03   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  37.63 +/- 3.07   0.000% *  0.1080% (0.28   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.47 +/- 0.51   0.000% *  0.0066% (0.02   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  33.90 +/- 2.90   0.000% *  0.0376% (0.10   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 = 0.829, support = 3.76, residual support = 44.1:
    * O T HA    MET   11 - HG3   MET   11   3.29 +/- 0.69  31.001% * 65.0392% (1.00   4.00  46.05) =  77.392%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.74 +/- 0.21  62.360% *  7.0179% (0.15   2.96  46.08) =  16.798%  kept
          HA    ALA   12 - HG3   MET   11   4.70 +/- 1.00   6.050% * 25.0109% (0.53   2.92  12.68) =   5.808%  kept
          HA    ALA   12 - HB3   GLU-  14   6.91 +/- 1.28   0.452% *  0.0607% (0.19   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG3   MET   11   9.86 +/- 1.55   0.089% *  0.1337% (0.41   0.02   0.02) =   0.000%
        T HA    MET   11 - HB3   GLU-  14  10.01 +/- 1.37   0.043% *  0.1155% (0.36   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  15.28 +/- 1.97   0.003% *  0.0562% (0.17   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  21.80 +/- 2.91   0.000% *  0.1583% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  19.95 +/- 2.08   0.001% *  0.1152% (0.35   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.35 +/- 2.01   0.000% *  0.1066% (0.33   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  28.59 +/- 2.13   0.000% *  0.3245% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  23.99 +/- 2.42   0.000% *  0.0654% (0.20   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  31.09 +/- 2.62   0.000% *  0.3002% (0.92   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  26.88 +/- 2.31   0.000% *  0.1132% (0.35   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  21.04 +/- 1.81   0.000% *  0.0178% (0.05   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  31.78 +/- 3.08   0.000% *  0.1841% (0.57   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  35.31 +/- 2.68   0.000% *  0.3188% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  28.83 +/- 2.35   0.000% *  0.0502% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  34.41 +/- 2.41   0.000% *  0.1132% (0.35   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  30.40 +/- 2.23   0.000% *  0.0433% (0.13   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  42.39 +/- 3.06   0.000% *  0.3188% (0.98   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  37.98 +/- 2.64   0.000% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  36.78 +/- 2.45   0.000% *  0.0562% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  44.80 +/- 3.16   0.000% *  0.1583% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 0.842, support = 3.29, residual support = 46.1:
    * O T QB    MET   11 - HG3   MET   11   2.46 +/- 0.13  43.491% * 81.3340% (1.00   3.31  46.05) =  80.224%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.36 +/- 0.14  55.331% * 15.7559% (0.20   3.19  46.08) =  19.772%  kept
        T QG    GLU-  14 - HG3   MET   11   8.63 +/- 1.65   0.383% *  0.2780% (0.57   0.02   0.02) =   0.002%
        T QG    GLU-  15 - HB3   GLU-  14   5.20 +/- 0.67   0.725% *  0.1266% (0.26   0.02   0.80) =   0.002%
        T QB    MET   11 - HB3   GLU-  14   9.21 +/- 1.50   0.059% *  0.1743% (0.36   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  11.87 +/- 1.84   0.005% *  0.3566% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  12.64 +/- 1.97   0.005% *  0.0849% (0.17   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  16.20 +/- 2.52   0.001% *  0.0654% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  17.95 +/- 2.10   0.000% *  0.1057% (0.22   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  21.43 +/- 4.22   0.000% *  0.1843% (0.38   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  21.34 +/- 2.23   0.000% *  0.2390% (0.49   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  26.58 +/- 2.08   0.000% *  0.2979% (0.61   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  22.30 +/- 2.35   0.000% *  0.0435% (0.09   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  30.38 +/- 2.94   0.000% *  0.1225% (0.25   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  26.42 +/- 1.84   0.000% *  0.0538% (0.11   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  23.93 +/- 1.46   0.000% *  0.0269% (0.05   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  29.66 +/- 2.38   0.000% *  0.0717% (0.15   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  33.47 +/- 2.03   0.000% *  0.1516% (0.31   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  31.27 +/- 2.04   0.000% *  0.0758% (0.15   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  30.51 +/- 2.44   0.000% *  0.0654% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  36.98 +/- 2.46   0.000% *  0.2019% (0.41   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  38.84 +/- 2.49   0.000% *  0.1843% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.864, support = 3.79, residual support = 46.1:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.983% * 77.3688% (1.00   4.00  46.05) =  79.008%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.984% * 20.5562% (0.35   3.00  46.08) =  20.992%  kept
        T HG2   MET   11 - HB3   GLU-  14  10.43 +/- 1.99   0.027% *  0.1373% (0.36   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   MET   11   9.91 +/- 1.64   0.004% *  0.3860% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  10.16 +/- 1.13   0.002% *  0.0382% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  15.97 +/- 2.09   0.000% *  0.1076% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  24.46 +/- 1.49   0.000% *  0.1346% (0.35   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  31.51 +/- 2.55   0.000% *  0.3792% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  25.29 +/- 2.05   0.000% *  0.0565% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  29.93 +/- 2.15   0.000% *  0.1346% (0.35   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  37.91 +/- 2.43   0.000% *  0.3792% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  33.65 +/- 2.12   0.000% *  0.1590% (0.41   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  26.86 +/- 1.89   0.000% *  0.0241% (0.06   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  33.90 +/- 2.90   0.000% *  0.0678% (0.18   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  31.01 +/- 2.04   0.000% *  0.0186% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  39.32 +/- 2.18   0.000% *  0.0524% (0.14   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 = 0.903, support = 3.39, residual support = 46.1:
    * O T HA    MET   11 - QB    MET   11   2.33 +/- 0.16  50.480% * 82.5993% (1.00   3.38  46.05) =  88.833%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.49 +/- 0.57  45.765% * 11.4389% (0.13   3.51  46.08) =  11.153%  kept
          HA    ALA   12 - QB    MET   11   4.18 +/- 0.43   2.056% *  0.2571% (0.53   0.02  12.68) =   0.011%
        T HA    GLU-  14 - QG    GLU-  15   4.86 +/- 0.76   1.022% *  0.0484% (0.10   0.02   0.80) =   0.001%
          HA    ALA   12 - QG    GLU-  14   5.63 +/- 0.95   0.507% *  0.0834% (0.17   0.02   0.02) =   0.001%
        T HA    MET   11 - QG    GLU-  14   8.45 +/- 1.57   0.082% *  0.1586% (0.32   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   8.86 +/- 1.24   0.033% *  0.2009% (0.41   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.53 +/- 1.25   0.017% *  0.0620% (0.13   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15   9.76 +/- 1.71   0.016% *  0.0574% (0.12   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.78 +/- 1.58   0.007% *  0.1178% (0.24   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.64 +/- 1.62   0.009% *  0.0296% (0.06   0.02   0.17) =   0.000%
          HA    THR   39 - QG    GLU-  14  14.51 +/- 1.95   0.002% *  0.0772% (0.16   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.48 +/- 1.04   0.001% *  0.1176% (0.24   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  19.62 +/- 2.72   0.000% *  0.2379% (0.49   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  18.47 +/- 1.40   0.000% *  0.1583% (0.32   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.20 +/- 1.55   0.000% *  0.1088% (0.22   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.60 +/- 2.08   0.000% *  0.4876% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  21.03 +/- 4.28   0.000% *  0.0609% (0.12   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  17.32 +/- 0.77   0.000% *  0.0562% (0.12   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.71 +/- 1.77   0.000% *  0.1464% (0.30   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  17.41 +/- 2.57   0.001% *  0.0250% (0.05   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.87 +/- 2.56   0.000% *  0.4512% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  19.91 +/- 3.39   0.000% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  21.71 +/- 1.64   0.000% *  0.0898% (0.18   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  28.45 +/- 3.00   0.000% *  0.2767% (0.57   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.69 +/- 1.07   0.000% *  0.1155% (0.24   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  24.47 +/- 1.55   0.000% *  0.1555% (0.32   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.25 +/- 1.02   0.000% *  0.0667% (0.14   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  17.10 +/- 0.91   0.000% *  0.0182% (0.04   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.58 +/- 2.58   0.000% *  0.4791% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  21.97 +/- 0.58   0.000% *  0.0608% (0.12   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  19.19 +/- 1.29   0.000% *  0.0245% (0.05   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  25.79 +/- 2.25   0.000% *  0.0754% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  37.92 +/- 2.95   0.000% *  0.4791% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  31.08 +/- 1.60   0.000% *  0.1555% (0.32   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  29.90 +/- 1.08   0.000% *  0.1155% (0.24   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  33.90 +/- 2.50   0.000% *  0.1834% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  27.42 +/- 1.72   0.000% *  0.0595% (0.12   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  26.11 +/- 0.88   0.000% *  0.0442% (0.09   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  27.81 +/- 0.59   0.000% *  0.0597% (0.12   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.18 +/- 0.57   0.000% *  0.0345% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  40.07 +/- 3.10   0.000% *  0.2379% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  33.25 +/- 1.68   0.000% *  0.0772% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  31.83 +/- 1.21   0.000% *  0.0574% (0.12   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  33.87 +/- 0.90   0.000% *  0.0597% (0.12   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  27.72 +/- 0.88   0.000% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  34.25 +/- 1.34   0.000% *  0.0296% (0.06   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  36.13 +/- 0.86   0.000% *  0.0229% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.868, support = 3.29, residual support = 46.1:
    * O T HG2   MET   11 - QB    MET   11   2.29 +/- 0.14  54.342% * 73.8183% (1.00   3.31  46.05) =  80.494%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.40 +/- 0.15  42.180% * 23.0368% (0.32   3.19  46.08) =  19.498%  kept
        T HG2   MET   11 - QG    GLU-  14   8.98 +/- 1.84   1.378% *  0.1446% (0.32   0.02   0.02) =   0.004%
        T HB2   GLU-  14 - QG    GLU-  15   5.23 +/- 1.14   1.671% *  0.1072% (0.24   0.02   0.80) =   0.004%
        T HB2   GLU-  14 - QB    MET   11   9.01 +/- 1.42   0.040% *  0.4447% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   6.08 +/- 1.35   0.368% *  0.0299% (0.07   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  12.04 +/- 1.95   0.006% *  0.1075% (0.24   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14   9.66 +/- 0.76   0.011% *  0.0402% (0.09   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  14.38 +/- 1.97   0.002% *  0.1239% (0.28   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  16.18 +/- 2.24   0.001% *  0.0554% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  19.83 +/- 0.93   0.000% *  0.1053% (0.24   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  22.23 +/- 1.10   0.000% *  0.1418% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  28.15 +/- 2.50   0.000% *  0.4369% (0.98   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  21.76 +/- 4.12   0.000% *  0.0555% (0.12   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  20.66 +/- 1.06   0.000% *  0.0442% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.08 +/- 1.04   0.000% *  0.1053% (0.24   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  23.10 +/- 1.30   0.000% *  0.0595% (0.13   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  18.99 +/- 1.89   0.000% *  0.0154% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  27.14 +/- 1.46   0.000% *  0.1418% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  33.87 +/- 2.32   0.000% *  0.4369% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  30.10 +/- 2.08   0.000% *  0.1832% (0.41   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  24.22 +/- 1.53   0.000% *  0.0253% (0.06   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  22.82 +/- 0.94   0.000% *  0.0188% (0.04   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  30.27 +/- 2.76   0.000% *  0.0781% (0.18   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  24.73 +/- 1.26   0.000% *  0.0145% (0.03   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  31.61 +/- 1.06   0.000% *  0.0544% (0.12   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.41 +/- 0.70   0.000% *  0.0228% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  28.40 +/- 1.43   0.000% *  0.0196% (0.04   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  35.16 +/- 2.10   0.000% *  0.0603% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  33.99 +/- 0.94   0.000% *  0.0544% (0.12   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  29.44 +/- 0.96   0.000% *  0.0075% (0.02   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  34.71 +/- 0.92   0.000% *  0.0097% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.54 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 = 46.1:
    * O T HG3   MET   11 - QB    MET   11   2.46 +/- 0.13  43.474% * 75.3472% (1.00   3.31  46.05) =  72.650%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.36 +/- 0.14  55.309% * 22.2924% (0.31   3.19  46.08) =  27.346%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.20 +/- 0.67   0.725% *  0.1038% (0.23   0.02   0.80) =   0.002%
        T HG3   MET   11 - QG    GLU-  14   8.63 +/- 1.65   0.383% *  0.1476% (0.32   0.02   0.02) =   0.001%
        T HB3   GLU-  14 - QB    MET   11   9.21 +/- 1.50   0.059% *  0.4303% (0.95   0.02   0.02) =   0.001%
        T HG3   MET   11 - QG    GLU-  15  11.87 +/- 1.84   0.005% *  0.1097% (0.24   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15   9.80 +/- 1.50   0.019% *  0.0192% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.53 +/- 1.56   0.011% *  0.0339% (0.07   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  11.88 +/- 1.93   0.007% *  0.0259% (0.06   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  16.20 +/- 2.52   0.001% *  0.0536% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  18.75 +/- 3.14   0.001% *  0.0797% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.33 +/- 0.37   0.005% *  0.0099% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.51 +/- 1.63   0.001% *  0.0456% (0.10   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.57 +/- 1.31   0.000% *  0.0753% (0.17   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.39 +/- 1.39   0.001% *  0.0175% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.15 +/- 2.26   0.000% *  0.1404% (0.31   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.50 +/- 0.97   0.000% *  0.0492% (0.11   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  21.25 +/- 1.54   0.000% *  0.1014% (0.22   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  21.43 +/- 4.22   0.000% *  0.0567% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  20.88 +/- 1.09   0.000% *  0.0662% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.59 +/- 2.59   0.000% *  0.2040% (0.45   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  28.19 +/- 2.35   0.000% *  0.3125% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.53 +/- 0.59   0.000% *  0.0389% (0.09   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.05 +/- 1.26   0.000% *  0.0305% (0.07   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.49 +/- 2.23   0.000% *  0.0410% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  33.46 +/- 2.76   0.000% *  0.1265% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  30.79 +/- 1.19   0.000% *  0.0254% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  29.52 +/- 1.70   0.000% *  0.0158% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 12.2:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  99.997% * 92.4662% (0.82   2.00  12.19) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  15.95 +/- 3.16   0.002% *  0.9247% (0.82   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  17.50 +/- 1.76   0.000% *  0.8766% (0.78   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  21.25 +/- 2.81   0.000% *  0.8165% (0.72   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  21.13 +/- 1.74   0.000% *  0.8766% (0.78   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  20.36 +/- 2.55   0.000% *  0.4382% (0.39   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  23.47 +/- 2.32   0.000% *  0.7098% (0.63   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  31.47 +/- 2.67   0.000% *  0.7827% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  32.38 +/- 2.13   0.000% *  0.5929% (0.53   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  30.79 +/- 2.15   0.000% *  0.4019% (0.36   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  32.53 +/- 3.28   0.000% *  0.2718% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  36.26 +/- 1.81   0.000% *  0.7098% (0.63   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  31.00 +/- 1.96   0.000% *  0.1323% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.82, support = 2.0, residual support = 12.2:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  96.620% * 95.7393% (0.82   2.00  12.19) =  99.986%  kept
          HA    MET   11 - QB    ALA   12   3.86 +/- 0.23   2.908% *  0.2752% (0.24   0.02  12.68) =   0.009%
          HA    GLU-  14 - QB    ALA   12   5.45 +/- 0.70   0.473% *  1.0441% (0.89   0.02   0.02) =   0.005%
          HA    LEU  104 - QB    ALA   12  24.22 +/- 1.94   0.000% *  1.0441% (0.89   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.28 +/- 2.07   0.000% *  0.2457% (0.21   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  26.79 +/- 2.43   0.000% *  0.1933% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  34.70 +/- 2.82   0.000% *  0.9898% (0.85   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  34.16 +/- 2.66   0.000% *  0.2752% (0.24   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  32.75 +/- 2.69   0.000% *  0.1933% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.912, support = 2.0, residual support = 10.4:
    * O T QB    SER   13 - HA    SER   13   2.48 +/- 0.10  73.071% * 58.1010% (1.00   1.93   7.07) =  82.220%  kept
      O T HB3   SER   37 - HA    SER   37   2.97 +/- 0.17  26.143% * 35.1089% (0.51   2.31  25.86) =  17.775%  kept
          HB    THR   39 - HA    SER   37   5.64 +/- 0.63   0.699% *  0.3205% (0.53   0.02   3.45) =   0.004%
          HA    ILE   89 - HA    THR   46  10.34 +/- 0.58   0.015% *  0.3442% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   8.74 +/- 0.57   0.041% *  0.1241% (0.21   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.79 +/- 2.64   0.003% *  0.5687% (0.95   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  15.52 +/- 3.21   0.005% *  0.3212% (0.53   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  15.01 +/- 2.19   0.002% *  0.5998% (1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.45 +/- 0.56   0.014% *  0.0893% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.93 +/- 2.75   0.003% *  0.1671% (0.28   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  15.05 +/- 0.28   0.001% *  0.2207% (0.37   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.46 +/- 0.64   0.001% *  0.3156% (0.52   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  22.27 +/- 0.71   0.000% *  0.3630% (0.60   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.76 +/- 2.10   0.000% *  0.3638% (0.61   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.11 +/- 0.80   0.000% *  0.3442% (0.57   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  19.75 +/- 0.28   0.000% *  0.1012% (0.17   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.28 +/- 0.59   0.000% *  0.1948% (0.32   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.40 +/- 1.26   0.000% *  0.3646% (0.61   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  33.65 +/- 2.35   0.000% *  0.5215% (0.87   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  30.85 +/- 0.65   0.000% *  0.2786% (0.46   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  35.50 +/- 1.91   0.000% *  0.5687% (0.95   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  32.79 +/- 1.00   0.000% *  0.3039% (0.51   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  33.22 +/- 1.73   0.000% *  0.2051% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  34.94 +/- 0.81   0.000% *  0.1096% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.913, support = 2.0, residual support = 10.5:
    * O T HA    SER   13 - QB    SER   13   2.48 +/- 0.10  72.982% * 57.1329% (1.00   1.93   7.07) =  81.535%  kept
      O T HA    SER   37 - HB3   SER   37   2.97 +/- 0.17  26.122% * 36.1414% (0.53   2.31  25.86) =  18.461%  kept
          HA    GLU-  15 - QB    SER   13   7.04 +/- 0.47   0.162% *  0.5911% (1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HB3   SER   37   5.78 +/- 0.47   0.529% *  0.1230% (0.21   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   SER   37   7.88 +/- 0.75   0.085% *  0.5226% (0.88   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13   9.87 +/- 1.44   0.028% *  0.3347% (0.57   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.24 +/- 1.46   0.013% *  0.5525% (0.93   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37   8.26 +/- 0.93   0.066% *  0.0748% (0.13   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.79 +/- 2.64   0.003% *  0.5525% (0.93   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  15.52 +/- 3.21   0.005% *  0.3347% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.14 +/- 0.96   0.002% *  0.3128% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.33 +/- 1.77   0.001% *  0.5592% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.32 +/- 2.01   0.000% *  0.5898% (1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  18.53 +/- 2.57   0.001% *  0.1316% (0.22   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.83 +/- 0.75   0.000% *  0.5513% (0.93   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  20.71 +/- 1.39   0.000% *  0.2016% (0.34   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.76 +/- 2.10   0.000% *  0.3824% (0.65   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  20.91 +/- 0.81   0.000% *  0.1885% (0.32   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.16 +/- 1.98   0.000% *  0.0800% (0.14   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.11 +/- 0.80   0.000% *  0.3574% (0.60   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  23.31 +/- 1.76   0.000% *  0.1474% (0.25   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  25.24 +/- 0.73   0.000% *  0.1378% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.941, support = 3.06, residual support = 46.1:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.74 +/- 0.21  82.983% * 63.8135% (1.00   2.96  46.08) =  90.344%  kept
      O T HG2   MET   11 - HA    MET   11   3.73 +/- 0.46  16.743% * 33.7987% (0.39   4.00  46.05) =   9.654%  kept
        T HG2   MET   11 - HA    GLU-  14  10.10 +/- 1.58   0.093% *  0.4306% (1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HA    MET   11   9.78 +/- 1.43   0.106% *  0.1694% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14   9.35 +/- 0.51   0.064% *  0.1332% (0.31   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  15.87 +/- 2.03   0.005% *  0.0666% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  15.92 +/- 1.86   0.004% *  0.0523% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.60 +/- 1.09   0.000% *  0.4278% (0.99   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  20.41 +/- 3.63   0.001% *  0.0261% (0.06   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.04 +/- 1.49   0.000% *  0.1620% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.55 +/- 1.55   0.000% *  0.4278% (0.99   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  26.08 +/- 1.45   0.000% *  0.0666% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.67 +/- 2.30   0.000% *  0.1679% (0.39   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  38.02 +/- 2.22   0.000% *  0.1679% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.73 +/- 1.95   0.000% *  0.0636% (0.15   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  34.10 +/- 2.67   0.000% *  0.0261% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.85, support = 3.48, residual support = 46.1:
    * O T QG    GLU-  14 - HA    GLU-  14   2.49 +/- 0.57  46.737% * 79.3476% (1.00   3.51  46.08) =  80.739%  kept
      O T QB    MET   11 - HA    MET   11   2.33 +/- 0.16  52.061% * 16.9834% (0.22   3.38  46.05) =  19.250%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.86 +/- 0.76   1.063% *  0.4365% (0.97   0.02   0.80) =   0.010%
        T QG    GLU-  14 - HA    MET   11   8.45 +/- 1.57   0.086% *  0.1775% (0.39   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  14   8.86 +/- 1.24   0.034% *  0.2561% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  12.45 +/- 1.67   0.008% *  0.4483% (0.99   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  11.78 +/- 1.58   0.008% *  0.1713% (0.38   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  17.79 +/- 1.52   0.000% *  0.4513% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  15.34 +/- 1.66   0.001% *  0.1396% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  21.23 +/- 3.94   0.001% *  0.0548% (0.12   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  21.30 +/- 2.12   0.000% *  0.1759% (0.39   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  23.33 +/- 1.07   0.000% *  0.3107% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  29.68 +/- 1.79   0.000% *  0.4365% (0.97   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  26.61 +/- 1.99   0.000% *  0.1771% (0.39   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.54 +/- 2.18   0.000% *  0.1007% (0.22   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  31.31 +/- 1.86   0.000% *  0.1219% (0.27   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  37.01 +/- 2.41   0.000% *  0.1713% (0.38   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  38.92 +/- 2.78   0.000% *  0.0395% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.944, support = 2.79, residual support = 43.5:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.74 +/- 0.21  79.298% * 62.0256% (1.00   2.96  46.08) =  94.374%  kept
      O T HA    MET   11 - HG2   MET   11   3.73 +/- 0.46  16.069% * 12.9166% (0.15   4.00  46.05) =   3.983%
          HA    ALA   12 - HG2   MET   11   5.03 +/- 0.80   3.851% * 22.1638% (0.37   2.88  12.68) =   1.638%
          HA    ALA   12 - HB2   GLU-  14   6.77 +/- 0.77   0.584% *  0.4112% (0.98   0.02   0.02) =   0.005%
        T HA    MET   11 - HB2   GLU-  14   9.78 +/- 1.43   0.101% *  0.1725% (0.41   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  10.10 +/- 1.58   0.087% *  0.1571% (0.37   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.23 +/- 0.32   0.004% *  0.0232% (0.06   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.19 +/- 2.00   0.001% *  0.1574% (0.38   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  24.53 +/- 1.88   0.000% *  0.3359% (0.80   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  16.01 +/- 0.71   0.002% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.53 +/- 2.10   0.000% *  0.0934% (0.22   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  27.09 +/- 2.05   0.000% *  0.1295% (0.31   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  26.08 +/- 1.45   0.000% *  0.0617% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  36.95 +/- 2.08   0.000% *  0.4158% (0.99   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  27.35 +/- 0.93   0.000% *  0.0611% (0.15   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.42 +/- 0.29   0.000% *  0.0494% (0.12   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.73 +/- 2.27   0.000% *  0.1258% (0.30   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  23.35 +/- 1.10   0.000% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.78 +/- 2.23   0.000% *  0.0590% (0.14   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  34.59 +/- 1.98   0.000% *  0.1295% (0.31   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  31.09 +/- 2.09   0.000% *  0.0605% (0.14   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.87 +/- 0.25   0.000% *  0.0137% (0.03   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.25 +/- 2.66   0.000% *  0.0350% (0.08   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  25.21 +/- 0.86   0.000% *  0.0083% (0.02   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  36.05 +/- 2.08   0.000% *  0.0568% (0.14   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  35.58 +/- 2.85   0.000% *  0.0485% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  45.13 +/- 3.45   0.000% *  0.1557% (0.37   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.10 +/- 2.67   0.000% *  0.0254% (0.06   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  42.71 +/- 3.29   0.000% *  0.0485% (0.12   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  44.50 +/- 3.12   0.000% *  0.0213% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.826, support = 3.22, residual support = 46.1:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.40 +/- 0.15  42.335% * 78.3524% (1.00   3.19  46.08) =  77.895%  kept
      O T QB    MET   11 - HG2   MET   11   2.29 +/- 0.14  54.553% * 17.2360% (0.21   3.31  46.05) =  22.080%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.23 +/- 1.14   1.673% *  0.4737% (0.97   0.02   0.80) =   0.019%
        T QG    GLU-  14 - HG2   MET   11   8.98 +/- 1.84   1.378% *  0.1838% (0.37   0.02   0.02) =   0.006%
        T QB    MET   11 - HB2   GLU-  14   9.01 +/- 1.42   0.040% *  0.2779% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.85 +/- 2.15   0.007% *  0.4865% (0.99   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.04 +/- 1.95   0.006% *  0.1774% (0.36   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  14.26 +/- 2.01   0.002% *  0.1515% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.20 +/- 1.80   0.000% *  0.4898% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.46 +/- 0.44   0.001% *  0.0720% (0.15   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  15.24 +/- 1.07   0.001% *  0.0697% (0.14   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.28 +/- 0.36   0.001% *  0.0496% (0.10   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  21.75 +/- 4.19   0.000% *  0.0567% (0.12   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.38 +/- 0.52   0.000% *  0.0715% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  21.54 +/- 2.34   0.000% *  0.1822% (0.37   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.19 +/- 1.60   0.000% *  0.3372% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  15.50 +/- 1.93   0.001% *  0.0161% (0.03   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  29.84 +/- 2.04   0.000% *  0.4737% (0.97   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.78 +/- 2.09   0.000% *  0.1834% (0.37   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  22.82 +/- 0.94   0.000% *  0.0697% (0.14   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.22 +/- 1.53   0.000% *  0.0722% (0.15   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  30.80 +/- 2.76   0.000% *  0.1093% (0.22   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.28 +/- 2.27   0.000% *  0.1263% (0.26   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  37.21 +/- 2.59   0.000% *  0.1774% (0.36   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  30.27 +/- 2.76   0.000% *  0.0409% (0.08   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  27.72 +/- 0.63   0.000% *  0.0223% (0.05   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  39.04 +/- 3.02   0.000% *  0.0409% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 0.892, support = 3.49, residual support = 46.1:
    * O T HA    GLU-  14 - QG    GLU-  14   2.49 +/- 0.57  45.776% * 83.9206% (1.00   3.51  46.08) =  87.562%  kept
      O T HA    MET   11 - QB    MET   11   2.33 +/- 0.16  50.496% * 10.7863% (0.13   3.38  46.05) =  12.415%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.86 +/- 0.76   1.023% *  0.4209% (0.88   0.02   0.80) =   0.010%
          HA    ALA   12 - QB    MET   11   4.18 +/- 0.43   2.056% *  0.1522% (0.32   0.02  12.68) =   0.007%
          HA    ALA   12 - QG    GLU-  14   5.63 +/- 0.95   0.507% *  0.4689% (0.98   0.02   0.02) =   0.005%
        T HA    MET   11 - QG    GLU-  14   8.45 +/- 1.57   0.082% *  0.1967% (0.41   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.53 +/- 1.25   0.017% *  0.4126% (0.86   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   8.86 +/- 1.24   0.033% *  0.1552% (0.32   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.78 +/- 1.58   0.007% *  0.1730% (0.36   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.48 +/- 1.04   0.001% *  0.1580% (0.33   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  17.78 +/- 1.52   0.000% *  0.3370% (0.70   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  18.47 +/- 1.40   0.000% *  0.1795% (0.38   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  22.60 +/- 1.53   0.000% *  0.3830% (0.80   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.20 +/- 1.55   0.000% *  0.0937% (0.20   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.71 +/- 1.77   0.000% *  0.1065% (0.22   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.69 +/- 1.07   0.000% *  0.1299% (0.27   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  24.47 +/- 1.55   0.000% *  0.1476% (0.31   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  31.83 +/- 1.21   0.000% *  0.4172% (0.87   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  33.25 +/- 1.68   0.000% *  0.4741% (0.99   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.35 +/- 2.24   0.000% *  0.1243% (0.26   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.60 +/- 2.08   0.000% *  0.0583% (0.12   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  29.90 +/- 1.08   0.000% *  0.1299% (0.27   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  31.08 +/- 1.60   0.000% *  0.1476% (0.31   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.87 +/- 2.56   0.000% *  0.0346% (0.07   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.58 +/- 2.58   0.000% *  0.0479% (0.10   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  30.57 +/- 1.37   0.000% *  0.0570% (0.12   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  32.51 +/- 1.59   0.000% *  0.0647% (0.14   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  40.07 +/- 3.10   0.000% *  0.1539% (0.32   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  37.92 +/- 2.95   0.000% *  0.0479% (0.10   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  39.53 +/- 2.83   0.000% *  0.0210% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 0.861, support = 3.22, residual support = 46.1:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.36 +/- 0.14  55.327% * 73.4278% (1.00   3.19  46.08) =  79.969%  kept
      O T HG3   MET   11 - QB    MET   11   2.46 +/- 0.13  43.488% * 23.3886% (0.31   3.31  46.05) =  20.022%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.20 +/- 0.67   0.725% *  0.4047% (0.88   0.02   0.80) =   0.006%
        T HG3   MET   11 - QG    GLU-  14   8.63 +/- 1.65   0.383% *  0.4352% (0.95   0.02   0.02) =   0.003%
        T HB3   GLU-  14 - QB    MET   11   9.21 +/- 1.50   0.059% *  0.1493% (0.32   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.53 +/- 1.56   0.011% *  0.1970% (0.43   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.87 +/- 1.84   0.005% *  0.3829% (0.83   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.51 +/- 1.63   0.001% *  0.2239% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.57 +/- 1.31   0.000% *  0.3511% (0.76   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  21.25 +/- 1.54   0.000% *  0.3990% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.50 +/- 0.97   0.000% *  0.1125% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  20.88 +/- 1.09   0.000% *  0.1279% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.15 +/- 2.26   0.000% *  0.0727% (0.16   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.05 +/- 1.26   0.000% *  0.0624% (0.14   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  28.19 +/- 2.35   0.000% *  0.1295% (0.28   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.49 +/- 2.23   0.000% *  0.0710% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.59 +/- 2.59   0.000% *  0.0415% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  33.46 +/- 2.76   0.000% *  0.0230% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 1.0, support = 2.0, residual support = 9.77:
    * O T QG    GLU-  15 - HA    GLU-  15   2.40 +/- 0.49  96.843% * 89.5875% (1.00   2.00   9.77) =  99.969%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.98 +/- 0.52   2.956% *  0.8659% (0.97   0.02   0.80) =   0.029%
          HB3   PHE   72 - HA    GLU-  15   8.89 +/- 0.82   0.090% *  0.8282% (0.92   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    LEU   40  10.33 +/- 0.25   0.028% *  0.6698% (0.75   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  11.14 +/- 1.62   0.023% *  0.7256% (0.81   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  12.06 +/- 1.33   0.011% *  0.6515% (0.73   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.64 +/- 0.74   0.006% *  0.7112% (0.79   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  14.55 +/- 0.69   0.004% *  0.8795% (0.98   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  15.92 +/- 1.71   0.002% *  0.7002% (0.78   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  12.76 +/- 1.70   0.009% *  0.1663% (0.19   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  13.71 +/- 0.88   0.006% *  0.1776% (0.20   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  15.79 +/- 0.48   0.002% *  0.3817% (0.43   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  14.31 +/- 0.57   0.004% *  0.1536% (0.17   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  16.53 +/- 1.99   0.002% *  0.1605% (0.18   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.85 +/- 0.45   0.002% *  0.1436% (0.16   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.64 +/- 0.25   0.008% *  0.0329% (0.04   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  19.97 +/- 0.74   0.001% *  0.4721% (0.53   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  21.81 +/- 2.41   0.000% *  0.5269% (0.59   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  17.43 +/- 0.80   0.001% *  0.1631% (0.18   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  25.66 +/- 0.76   0.000% *  0.6294% (0.70   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  21.99 +/- 3.16   0.001% *  0.1208% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  27.39 +/- 0.56   0.000% *  0.7783% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  22.44 +/- 0.58   0.000% *  0.0875% (0.10   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  23.24 +/- 1.42   0.000% *  0.0982% (0.11   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  27.34 +/- 0.75   0.000% *  0.1443% (0.16   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  27.45 +/- 1.19   0.000% *  0.1214% (0.14   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  26.01 +/- 1.87   0.000% *  0.0225% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 9.77:
    * O T QB    GLU-  15 - HA    GLU-  15   2.44 +/- 0.14  97.812% * 91.5754% (1.00   3.00   9.77) =  99.995%  kept
        T HB2   GLN   17 - HA    GLU-  15   6.15 +/- 0.34   0.418% *  0.6105% (1.00   0.02   0.63) =   0.003%
        T HB3   PRO   68 - HA    GLU-  15   7.30 +/- 0.60   0.172% *  0.4889% (0.80   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLU-  15   7.57 +/- 0.67   0.125% *  0.3456% (0.57   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   6.62 +/- 1.50   1.180% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   7.87 +/- 0.39   0.095% *  0.1099% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15   9.51 +/- 0.55   0.032% *  0.2972% (0.49   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  10.05 +/- 1.41   0.027% *  0.2510% (0.41   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  11.68 +/- 1.69   0.012% *  0.4937% (0.81   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15   9.31 +/- 1.17   0.043% *  0.1069% (0.18   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  11.72 +/- 0.36   0.008% *  0.2795% (0.46   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  13.50 +/- 0.35   0.004% *  0.3953% (0.65   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  11.04 +/- 0.47   0.012% *  0.0865% (0.14   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  13.35 +/- 0.58   0.004% *  0.2030% (0.33   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  13.78 +/- 0.49   0.003% *  0.2403% (0.39   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  15.93 +/- 0.61   0.001% *  0.4937% (0.81   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35   9.77 +/- 0.31   0.026% *  0.0198% (0.03   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  13.56 +/- 1.74   0.004% *  0.1132% (0.19   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.70 +/- 0.30   0.009% *  0.0465% (0.08   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  16.72 +/- 1.17   0.001% *  0.3194% (0.52   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.25 +/- 0.59   0.004% *  0.0641% (0.10   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  20.26 +/- 0.80   0.000% *  0.5775% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  20.57 +/- 0.85   0.000% *  0.4893% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.82 +/- 0.53   0.000% *  0.4670% (0.76   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  17.53 +/- 0.64   0.001% *  0.1071% (0.18   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  17.01 +/- 0.50   0.001% *  0.0865% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.16 +/- 0.79   0.001% *  0.0906% (0.15   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  19.52 +/- 1.56   0.000% *  0.1359% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  19.08 +/- 0.82   0.000% *  0.1132% (0.19   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  23.56 +/- 1.24   0.000% *  0.3949% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  27.17 +/- 0.72   0.000% *  0.6051% (0.99   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  19.00 +/- 0.87   0.000% *  0.0551% (0.09   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  21.55 +/- 0.70   0.000% *  0.1069% (0.18   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  21.73 +/- 1.25   0.000% *  0.0732% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  25.98 +/- 0.97   0.000% *  0.1122% (0.18   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  23.87 +/- 0.57   0.000% *  0.0198% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.999, support = 2.0, residual support = 9.76:
    * O T HA    GLU-  15 - QG    GLU-  15   2.40 +/- 0.49  92.032% * 88.3631% (1.00   2.00   9.77) =  99.925%  kept
          HA    SER   13 - QG    GLU-  14   4.87 +/- 0.46   2.581% *  0.7786% (0.88   0.02   6.70) =   0.025%
        T HA    GLU-  15 - QG    GLU-  14   4.98 +/- 0.52   2.450% *  0.7786% (0.88   0.02   0.80) =   0.023%
          HA    SER   13 - QG    GLU-  15   6.74 +/- 1.18   2.099% *  0.8850% (1.00   0.02   0.02) =   0.023%
          HA    GLN   17 - QG    GLU-  15   6.97 +/- 0.53   0.234% *  0.5010% (0.57   0.02   0.63) =   0.001%
          HA    SER   13 - QB    MET   11   6.48 +/- 0.63   0.426% *  0.2133% (0.24   0.02   0.02) =   0.001%
          HA    GLN   17 - QG    GLU-  14   8.88 +/- 0.84   0.084% *  0.4408% (0.50   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  15  11.14 +/- 1.62   0.020% *  0.8371% (0.95   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  10.54 +/- 1.64   0.029% *  0.5010% (0.57   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  13.99 +/- 2.10   0.005% *  0.4408% (0.50   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  12.06 +/- 1.33   0.010% *  0.2133% (0.24   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  15.92 +/- 1.71   0.002% *  0.7366% (0.83   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  12.76 +/- 1.70   0.008% *  0.1970% (0.22   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  16.70 +/- 0.95   0.001% *  0.8830% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.02 +/- 1.65   0.007% *  0.1198% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  18.84 +/- 1.17   0.001% *  0.7769% (0.88   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  16.90 +/- 1.29   0.001% *  0.3019% (0.34   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  16.53 +/- 1.99   0.002% *  0.1734% (0.20   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  18.18 +/- 3.55   0.002% *  0.1208% (0.14   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  15.45 +/- 1.86   0.002% *  0.1208% (0.14   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  19.93 +/- 0.81   0.000% *  0.5725% (0.65   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  21.90 +/- 1.55   0.000% *  0.5037% (0.57   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  17.65 +/- 1.87   0.001% *  0.1054% (0.12   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  19.75 +/- 0.93   0.000% *  0.2207% (0.25   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  21.06 +/- 1.07   0.000% *  0.2656% (0.30   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  21.81 +/- 2.41   0.000% *  0.2018% (0.23   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  22.44 +/- 1.11   0.000% *  0.1942% (0.22   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  24.79 +/- 2.50   0.000% *  0.2129% (0.24   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  21.99 +/- 3.16   0.000% *  0.0475% (0.05   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  25.50 +/- 2.44   0.000% *  0.0728% (0.08   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.37 +/- 2.69   0.000% *  0.0289% (0.03   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  28.98 +/- 2.23   0.000% *  0.1380% (0.16   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  28.84 +/- 2.19   0.000% *  0.0532% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 4.0, residual support = 84.0:
    * O T HB2   GLN   17 - HA    GLN   17   2.52 +/- 0.06  99.071% * 96.8891% (1.00   4.00  84.04) =  99.996%  kept
        T QB    GLU-  15 - HA    GLN   17   6.64 +/- 0.28   0.311% *  0.4844% (1.00   0.02   0.63) =   0.002%
        T HB3   PRO   68 - HA    GLN   17   6.63 +/- 0.64   0.376% *  0.3879% (0.80   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    GLN   17   7.58 +/- 0.35   0.141% *  0.2743% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17   8.41 +/- 0.66   0.081% *  0.2358% (0.49   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  12.52 +/- 1.06   0.007% *  0.1992% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  11.79 +/- 0.55   0.010% *  0.0848% (0.18   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  20.08 +/- 1.11   0.000% *  0.3134% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  21.53 +/- 0.23   0.000% *  0.4583% (0.95   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  17.15 +/- 0.69   0.001% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  22.88 +/- 0.65   0.000% *  0.4802% (0.99   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  21.62 +/- 0.82   0.000% *  0.1079% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.0:
    * O T QG    GLN   17 - HA    GLN   17   2.85 +/- 0.42  99.759% * 97.6147% (0.76   4.31  84.04) =  99.999%  kept
        T HB    VAL   70 - HA    GLN   17   8.36 +/- 0.64   0.230% *  0.4947% (0.84   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLN   17  16.11 +/- 0.29   0.004% *  0.5870% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  17.61 +/- 1.03   0.003% *  0.3353% (0.57   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  19.79 +/- 0.94   0.001% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.31 +/- 0.39   0.002% *  0.2020% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  21.05 +/- 0.34   0.001% *  0.3831% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.209, support = 3.63, residual support = 56.8:
    * O T HA    GLN   17 - HB2   GLN   17   2.52 +/- 0.06  44.631% * 62.5456% (0.24   4.00  84.04) =  63.317%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.44 +/- 0.14  54.241% * 29.8094% (0.15   3.00   9.77) =  36.675%  kept
        T HA    GLN   17 - HB3   PRO   68   6.63 +/- 0.64   0.168% *  0.7846% (0.61   0.02   0.02) =   0.003%
          HA    SER   13 - QB    GLU-  15   5.70 +/- 0.71   0.450% *  0.1987% (0.15   0.02   0.02) =   0.002%
        T HA    GLN   17 - QB    GLU-  15   6.64 +/- 0.28   0.139% *  0.3510% (0.27   0.02   0.63) =   0.001%
        T HA    GLU-  15 - HB3   PRO   68   7.30 +/- 0.60   0.089% *  0.4442% (0.34   0.02   0.02) =   0.001%
        T HA    GLU-  15 - HB2   GLN   17   6.15 +/- 0.34   0.222% *  0.1771% (0.14   0.02   0.63) =   0.001%
          HA    SER   13 - HB3   PRO   68  10.81 +/- 1.73   0.014% *  0.4442% (0.34   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  11.23 +/- 1.82   0.009% *  0.3510% (0.27   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  10.83 +/- 1.61   0.014% *  0.1771% (0.14   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  11.68 +/- 1.69   0.007% *  0.1317% (0.10   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  14.27 +/- 0.40   0.001% *  0.4759% (0.37   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  12.93 +/- 1.22   0.003% *  0.2129% (0.16   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  13.50 +/- 0.35   0.002% *  0.2945% (0.23   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  16.23 +/- 0.97   0.001% *  0.7846% (0.61   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  12.55 +/- 0.72   0.003% *  0.1645% (0.13   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  14.75 +/- 0.62   0.001% *  0.4128% (0.32   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  13.80 +/- 0.31   0.002% *  0.1897% (0.15   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  17.06 +/- 0.82   0.000% *  0.3100% (0.24   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  16.45 +/- 0.76   0.001% *  0.1847% (0.14   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  18.65 +/- 1.17   0.000% *  0.3127% (0.24   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  15.93 +/- 0.61   0.001% *  0.1174% (0.09   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  22.21 +/- 0.78   0.000% *  0.7777% (0.60   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  20.21 +/- 0.66   0.000% *  0.3479% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.185, support = 4.31, residual support = 84.0:
    * O T QG    GLN   17 - HB2   GLN   17   2.30 +/- 0.04  98.267% * 88.4947% (0.18   4.31  84.04) =  99.988%  kept
        T QG    GLN   17 - QB    GLU-  15   4.98 +/- 0.63   1.251% *  0.4606% (0.21   0.02   0.63) =   0.007%
        T QG    GLN   17 - HB3   PRO   68   6.53 +/- 0.84   0.272% *  1.0295% (0.46   0.02   0.02) =   0.003%
        T HB    VAL   70 - HB3   PRO   68   7.37 +/- 0.30   0.096% *  1.1252% (0.51   0.02   1.06) =   0.001%
        T HB    VAL   70 - QB    GLU-  15   7.98 +/- 1.23   0.094% *  0.5034% (0.23   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB2   GLN   17  10.47 +/- 0.60   0.012% *  0.4485% (0.20   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  14.95 +/- 1.93   0.002% *  0.3899% (0.18   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  18.68 +/- 0.30   0.000% *  1.3352% (0.60   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.63 +/- 1.14   0.001% *  0.5973% (0.27   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  17.83 +/- 0.52   0.000% *  0.8715% (0.39   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.16 +/- 0.33   0.001% *  0.5322% (0.24   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.70 +/- 1.13   0.001% *  0.3040% (0.14   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  18.46 +/- 0.53   0.000% *  0.4595% (0.21   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  19.03 +/- 0.99   0.000% *  0.3899% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.91 +/- 1.03   0.000% *  0.3412% (0.15   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  19.93 +/- 0.49   0.000% *  0.3473% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  18.60 +/- 1.26   0.000% *  0.2056% (0.09   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  23.68 +/- 1.14   0.000% *  0.7627% (0.34   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  21.32 +/- 1.04   0.000% *  0.3473% (0.16   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  25.74 +/- 0.39   0.000% *  0.8715% (0.39   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  20.23 +/- 0.39   0.000% *  0.1831% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 4.31, residual support = 83.9:
    * O T HA    GLN   17 - QG    GLN   17   2.85 +/- 0.42  68.876% * 97.3877% (0.76   4.31  84.04) =  99.884%  kept
          HA    GLU-  15 - QG    GLN   17   3.96 +/- 0.92  30.193% *  0.2557% (0.43   0.02   0.63) =   0.115%
          HA    SER   13 - QG    GLN   17   8.47 +/- 1.24   0.145% *  0.2557% (0.43   0.02   0.02) =   0.001%
          HA    LEU   40 - HB    VAL   70   6.74 +/- 0.18   0.356% *  0.0347% (0.06   0.02  32.80) =   0.000%
          HA    VAL   42 - HB    VAL   70   7.35 +/- 0.43   0.220% *  0.0561% (0.09   0.02   1.24) =   0.000%
        T HA    GLN   17 - HB    VAL   70   8.36 +/- 0.64   0.105% *  0.0925% (0.16   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70   9.16 +/- 0.76   0.061% *  0.0524% (0.09   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  12.41 +/- 0.89   0.010% *  0.2376% (0.40   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  12.74 +/- 0.60   0.009% *  0.2739% (0.46   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  15.57 +/- 1.32   0.003% *  0.4516% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  13.86 +/- 0.73   0.005% *  0.1695% (0.29   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  16.69 +/- 1.07   0.002% *  0.4476% (0.76   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  12.92 +/- 0.65   0.008% *  0.0925% (0.16   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  14.15 +/- 0.40   0.004% *  0.0487% (0.08   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  14.93 +/- 0.84   0.003% *  0.0524% (0.09   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  18.12 +/- 0.58   0.001% *  0.0917% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.0:
    * O T HB2   GLN   17 - QG    GLN   17   2.30 +/- 0.04  97.861% * 96.4483% (0.76   4.31  84.04) =  99.992%  kept
        T QB    GLU-  15 - QG    GLN   17   4.98 +/- 0.63   1.246% *  0.4472% (0.76   0.02   0.63) =   0.006%
        T HB3   PRO   68 - QG    GLN   17   6.53 +/- 0.84   0.272% *  0.3581% (0.61   0.02   0.02) =   0.001%
          HB    ILE   19 - QG    GLN   17   6.92 +/- 1.12   0.223% *  0.2532% (0.43   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG    GLN   17   8.43 +/- 0.92   0.054% *  0.2177% (0.37   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB    VAL   70   7.98 +/- 1.23   0.094% *  0.0916% (0.16   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB    VAL   70   7.37 +/- 0.30   0.096% *  0.0734% (0.13   0.02   1.06) =   0.000%
          HG2   PRO   68 - HB    VAL   70   7.76 +/- 0.31   0.071% *  0.0446% (0.08   0.02   1.06) =   0.000%
          HG3   GLN   30 - QG    GLN   17  10.52 +/- 1.16   0.014% *  0.1839% (0.31   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70   9.24 +/- 0.52   0.025% *  0.0519% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  10.17 +/- 1.15   0.016% *  0.0783% (0.13   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  10.47 +/- 0.60   0.012% *  0.0916% (0.16   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  18.76 +/- 1.41   0.000% *  0.4230% (0.72   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.19 +/- 0.37   0.008% *  0.0160% (0.03   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.16 +/- 0.79   0.003% *  0.0377% (0.06   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.98 +/- 1.17   0.000% *  0.2893% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.71 +/- 0.77   0.000% *  0.4433% (0.76   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.60 +/- 1.10   0.001% *  0.0593% (0.10   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  17.73 +/- 0.74   0.001% *  0.0783% (0.13   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  14.18 +/- 0.44   0.002% *  0.0204% (0.03   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  14.09 +/- 0.46   0.002% *  0.0160% (0.03   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  20.02 +/- 0.91   0.000% *  0.0996% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  19.95 +/- 0.78   0.000% *  0.0908% (0.16   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  22.19 +/- 0.47   0.000% *  0.0867% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 3.57, residual support = 78.3:
    * O T HB    VAL   18 - HA    VAL   18   2.76 +/- 0.22  99.750% * 98.2693% (1.00   3.57  78.31) =  99.999%  kept
          HB2   LEU   67 - HA    VAL   18   7.77 +/- 0.52   0.224% *  0.4931% (0.90   0.02   0.02) =   0.001%
          HB2   LEU   40 - HA    VAL   18  11.89 +/- 0.50   0.018% *  0.1876% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  15.14 +/- 0.62   0.004% *  0.2676% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  17.63 +/- 0.57   0.002% *  0.4931% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  16.85 +/- 0.53   0.002% *  0.2893% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 1.0, support = 4.14, residual support = 78.3:
    * O T QG1   VAL   18 - HA    VAL   18   2.57 +/- 0.35  98.404% * 98.0934% (1.00   4.14  78.31) =  99.993%  kept
          QD1   LEU   71 - HA    VAL   18   6.20 +/- 1.05   1.231% *  0.3959% (0.84   0.02   0.02) =   0.005%
        T QG1   VAL   70 - HA    VAL   18   7.97 +/- 1.01   0.279% *  0.4646% (0.98   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   18   8.74 +/- 0.55   0.075% *  0.3256% (0.69   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  12.81 +/- 0.68   0.008% *  0.3959% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  16.05 +/- 0.52   0.002% *  0.2307% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  17.45 +/- 0.65   0.001% *  0.0938% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 78.3:
    * O T QG2   VAL   18 - HA    VAL   18   2.55 +/- 0.51  98.532% * 98.0190% (1.00   4.14  78.31) =  99.995%  kept
          QD1   ILE   19 - HA    VAL   18   5.91 +/- 0.20   1.210% *  0.3439% (0.73   0.02  23.63) =   0.004%
          QG1   VAL   43 - HA    VAL   18   8.57 +/- 0.35   0.117% *  0.4372% (0.92   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    VAL   18   9.13 +/- 0.57   0.066% *  0.4643% (0.98   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HA    VAL   18   9.92 +/- 0.42   0.057% *  0.3620% (0.76   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  14.47 +/- 0.76   0.006% *  0.2682% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  12.65 +/- 0.67   0.012% *  0.1054% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 78.3:
    * O T HA    VAL   18 - HB    VAL   18   2.76 +/- 0.22  99.956% * 96.6222% (1.00   3.57  78.31) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  10.87 +/- 0.94   0.028% *  0.3714% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  13.89 +/- 0.91   0.008% *  0.3926% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  16.81 +/- 0.65   0.002% *  0.5114% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  17.33 +/- 0.52   0.002% *  0.5394% (1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  17.55 +/- 0.78   0.002% *  0.3714% (0.69   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  18.21 +/- 0.76   0.001% *  0.2424% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  17.49 +/- 0.71   0.002% *  0.1503% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  24.99 +/- 0.93   0.000% *  0.5358% (0.99   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  26.10 +/- 0.69   0.000% *  0.2631% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 3.44, residual support = 78.3:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.893% * 97.7148% (1.00   3.44  78.31) =  99.999%  kept
          QG1   VAL   70 - HB    VAL   18   9.32 +/- 1.37   0.036% *  0.5569% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   18   8.35 +/- 1.09   0.040% *  0.4746% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL   18   8.79 +/- 1.10   0.028% *  0.3903% (0.69   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  12.60 +/- 0.89   0.003% *  0.4746% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  17.38 +/- 1.22   0.000% *  0.2765% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  17.37 +/- 0.83   0.000% *  0.1124% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 1.0, support = 3.28, residual support = 78.3:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.01  99.897% * 97.5125% (1.00   3.28  78.31) =  99.999%  kept
          QD1   ILE   19 - HB    VAL   18   7.48 +/- 0.28   0.053% *  0.4319% (0.73   0.02  23.63) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.20 +/- 0.55   0.032% *  0.5830% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18   9.79 +/- 0.85   0.012% *  0.5490% (0.92   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  11.78 +/- 0.89   0.004% *  0.4545% (0.76   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  15.84 +/- 1.24   0.001% *  0.3367% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  14.66 +/- 0.86   0.001% *  0.1324% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 4.14, residual support = 78.3:
    * O T HA    VAL   18 - QG1   VAL   18   2.57 +/- 0.35  99.879% * 97.0694% (1.00   4.14  78.31) = 100.000%  kept
        T HA    SER   48 - QG1   VAL   18  10.40 +/- 1.07   0.048% *  0.3406% (0.73   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG1   VAL   18   9.28 +/- 1.12   0.047% *  0.3222% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.32 +/- 0.56   0.006% *  0.4680% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  13.45 +/- 0.75   0.006% *  0.4437% (0.95   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  14.89 +/- 0.92   0.003% *  0.3222% (0.69   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  14.27 +/- 0.84   0.004% *  0.2103% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  13.71 +/- 0.54   0.006% *  0.1304% (0.28   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  19.15 +/- 0.89   0.001% *  0.4649% (0.99   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  20.19 +/- 0.57   0.001% *  0.2283% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 3.44, residual support = 78.3:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.01  99.914% * 98.2028% (1.00   3.44  78.31) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   7.99 +/- 1.33   0.071% *  0.5121% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  11.27 +/- 0.71   0.005% *  0.2779% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  12.62 +/- 0.60   0.002% *  0.5121% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  11.49 +/- 1.09   0.005% *  0.1948% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  13.10 +/- 0.85   0.002% *  0.3004% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 1.0, support = 4.0, residual support = 78.3:
    * O T QG2   VAL   18 - QG1   VAL   18   2.07 +/- 0.05  99.393% * 97.9516% (1.00   4.00  78.31) =  99.997%  kept
          QG2   THR   46 - QG1   VAL   18   5.75 +/- 0.54   0.262% *  0.4801% (0.98   0.02   0.02) =   0.001%
          QD1   ILE   19 - QG1   VAL   18   5.66 +/- 0.26   0.243% *  0.3556% (0.73   0.02  23.63) =   0.001%
          QG1   VAL   43 - QG1   VAL   18   7.06 +/- 0.80   0.079% *  0.4521% (0.92   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18   9.19 +/- 0.97   0.015% *  0.3743% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  10.87 +/- 0.83   0.005% *  0.1090% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  12.91 +/- 1.24   0.002% *  0.2773% (0.57   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 = 1.0, support = 4.14, residual support = 78.3:
    * O T HA    VAL   18 - QG2   VAL   18   2.55 +/- 0.51  97.640% * 94.1319% (1.00   4.14  78.31) =  99.994%  kept
          HA    VAL   70 - QG1   VAL   41   6.13 +/- 0.31   0.927% *  0.2388% (0.52   0.02   2.74) =   0.002%
          HA    GLN   32 - QG1   VAL   41   6.26 +/- 0.36   0.804% *  0.1558% (0.34   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   41   7.40 +/- 0.21   0.282% *  0.3288% (0.72   0.02   0.02) =   0.001%
        T HA    VAL   18 - QG1   VAL   41   9.92 +/- 0.42   0.056% *  0.3476% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   9.75 +/- 0.33   0.056% *  0.3468% (0.76   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.10 +/- 0.66   0.059% *  0.3124% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  11.00 +/- 0.70   0.028% *  0.3303% (0.73   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.21 +/- 0.58   0.086% *  0.0480% (0.11   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  14.26 +/- 0.59   0.006% *  0.4539% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  14.00 +/- 0.40   0.005% *  0.4303% (0.95   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  14.18 +/- 0.74   0.004% *  0.3124% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  13.88 +/- 0.68   0.006% *  0.1265% (0.28   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  14.97 +/- 0.54   0.004% *  0.2039% (0.45   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  13.62 +/- 0.62   0.006% *  0.0661% (0.15   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  14.47 +/- 0.76   0.006% *  0.0699% (0.15   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  20.11 +/- 1.20   0.001% *  0.4508% (0.99   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  12.56 +/- 0.81   0.011% *  0.0313% (0.07   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  17.51 +/- 0.47   0.001% *  0.2388% (0.52   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  18.61 +/- 0.46   0.001% *  0.2524% (0.55   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  15.15 +/- 0.42   0.004% *  0.0480% (0.11   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  20.63 +/- 0.98   0.001% *  0.3445% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  16.83 +/- 0.78   0.002% *  0.0697% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  20.96 +/- 0.89   0.001% *  0.2214% (0.49   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.46 +/- 0.56   0.001% *  0.0967% (0.21   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  22.78 +/- 0.54   0.000% *  0.1692% (0.37   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  22.83 +/- 0.55   0.000% *  0.0508% (0.11   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  25.65 +/- 1.35   0.000% *  0.0693% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  22.42 +/- 0.62   0.000% *  0.0194% (0.04   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  25.88 +/- 0.60   0.000% *  0.0340% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 1.0, support = 3.28, residual support = 78.3:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.01  99.104% * 95.9309% (1.00   3.28  78.31) =  99.999%  kept
          HB2   LEU   40 - QG1   VAL   41   5.29 +/- 0.10   0.409% *  0.1525% (0.26   0.02  21.05) =   0.001%
          HB2   LEU   67 - QG2   VAL   18   7.31 +/- 0.75   0.071% *  0.5247% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   5.76 +/- 0.74   0.369% *  0.0307% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41   9.13 +/- 0.26   0.016% *  0.4010% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  10.51 +/- 0.57   0.007% *  0.2848% (0.49   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  11.78 +/- 0.89   0.004% *  0.4471% (0.76   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  12.39 +/- 0.40   0.003% *  0.5247% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  11.36 +/- 1.02   0.005% *  0.1996% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  12.70 +/- 0.76   0.002% *  0.3078% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  10.46 +/- 0.65   0.008% *  0.0806% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  15.86 +/- 0.48   0.001% *  0.2352% (0.40   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  15.84 +/- 1.24   0.001% *  0.0899% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.61 +/- 0.31   0.001% *  0.0473% (0.08   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  19.21 +/- 0.28   0.000% *  0.2176% (0.37   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  21.30 +/- 0.34   0.000% *  0.4010% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  20.01 +/- 0.52   0.000% *  0.0438% (0.07   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  23.18 +/- 0.48   0.000% *  0.0806% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.979, support = 3.92, residual support = 76.7:
    * O T QG1   VAL   18 - QG2   VAL   18   2.07 +/- 0.05  82.107% * 87.3256% (1.00   4.00  78.31) =  97.916%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.73 +/- 0.21  17.043% *  8.9380% (0.07   5.47 219.07) =   2.080%
          QD1   LEU   71 - QG1   VAL   41   5.26 +/- 0.48   0.365% *  0.2787% (0.64   0.02   2.75) =   0.001%
          QG1   VAL   70 - QG1   VAL   41   6.11 +/- 0.21   0.127% *  0.3271% (0.75   0.02   2.74) =   0.001%
          QD1   LEU   71 - QG2   VAL   18   6.95 +/- 1.00   0.096% *  0.3647% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.77 +/- 0.97   0.054% *  0.4280% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.03 +/- 0.74   0.068% *  0.2999% (0.69   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   7.82 +/- 0.35   0.030% *  0.1624% (0.37   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.19 +/- 0.97   0.013% *  0.3337% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.06 +/- 0.77   0.064% *  0.0658% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.40 +/- 0.75   0.006% *  0.3647% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.32 +/- 0.35   0.005% *  0.2292% (0.52   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.50 +/- 0.45   0.002% *  0.2787% (0.64   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.45 +/- 0.55   0.005% *  0.0560% (0.13   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.58 +/- 0.61   0.005% *  0.0560% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  10.84 +/- 0.61   0.004% *  0.0461% (0.11   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  14.12 +/- 0.67   0.001% *  0.2125% (0.49   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.91 +/- 1.24   0.002% *  0.0671% (0.15   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.05 +/- 0.86   0.001% *  0.0660% (0.15   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  13.79 +/- 0.86   0.001% *  0.0864% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.62 +/- 0.64   0.002% *  0.0133% (0.03   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   2.93 +/- 0.04  97.638% * 98.1651% (1.00   5.75 170.04) =  99.995%  kept
          HB2   GLN   17 - HA    ILE   19   5.57 +/- 0.35   2.161% *  0.1933% (0.57   0.02   0.02) =   0.004%
          QB    GLU-  15 - HA    ILE   19   8.52 +/- 0.40   0.166% *  0.1933% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  14.26 +/- 0.41   0.007% *  0.3384% (0.99   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.96 +/- 0.23   0.006% *  0.2609% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  12.30 +/- 0.49   0.018% *  0.0760% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.21 +/- 1.14   0.001% *  0.3384% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  18.26 +/- 0.62   0.002% *  0.1404% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  20.40 +/- 0.47   0.001% *  0.1281% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  23.93 +/- 0.49   0.000% *  0.1662% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 1.0, support = 6.31, residual support = 170.0:
    * O T HG12  ILE   19 - HA    ILE   19   2.31 +/- 0.56  98.174% * 97.8530% (1.00   6.31 170.04) =  99.997%  kept
          HB3   LYS+  74 - HA    ILE   19   5.57 +/- 0.31   1.436% *  0.1755% (0.57   0.02   5.27) =   0.003%
        T HG    LEU   73 - HA    ILE   19   7.10 +/- 1.11   0.332% *  0.1057% (0.34   0.02   4.00) =   0.000%
          QB    ALA   61 - HA    ILE   19  10.07 +/- 0.54   0.035% *  0.2689% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  12.29 +/- 0.49   0.011% *  0.2251% (0.73   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.42 +/- 0.69   0.004% *  0.1631% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  16.97 +/- 0.29   0.002% *  0.3072% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.48 +/- 0.34   0.004% *  0.0957% (0.31   0.02   0.02) =   0.000%
        T HG    LEU   80 - HA    ILE   19  17.71 +/- 0.70   0.001% *  0.3038% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  18.77 +/- 0.35   0.001% *  0.2369% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  21.95 +/- 0.99   0.000% *  0.1880% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  23.38 +/- 0.66   0.000% *  0.0773% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.0:
    * O T HG13  ILE   19 - HA    ILE   19   3.10 +/- 0.50  98.506% * 97.9400% (1.00   5.75 170.04) =  99.996%  kept
        T HG    LEU   71 - HA    ILE   19   7.56 +/- 1.10   0.715% *  0.3055% (0.90   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    ILE   19   7.89 +/- 0.35   0.493% *  0.3144% (0.92   0.02   5.27) =   0.002%
          QG2   THR   39 - HA    ILE   19  10.54 +/- 0.96   0.097% *  0.2845% (0.84   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19   9.43 +/- 0.55   0.159% *  0.0758% (0.22   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  13.82 +/- 0.49   0.016% *  0.1278% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  16.92 +/- 0.87   0.005% *  0.2845% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  18.09 +/- 0.99   0.004% *  0.3222% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  18.76 +/- 2.11   0.004% *  0.1928% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  23.41 +/- 1.12   0.001% *  0.0849% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  24.23 +/- 0.45   0.001% *  0.0674% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.983, support = 4.62, residual support = 160.8:
    *   T QD1   ILE   19 - HA    ILE   19   2.98 +/- 0.11  91.785% * 55.8936% (1.00   4.60 170.04) =  93.658%  kept
          QG2   VAL   18 - HA    ILE   19   4.88 +/- 0.65   7.999% * 43.4277% (0.73   4.92  23.63) =   6.342%  kept
          QG2   THR   46 - HA    ILE   19   9.71 +/- 0.43   0.078% *  0.2029% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19   9.51 +/- 0.37   0.088% *  0.1183% (0.49   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  10.93 +/- 0.36   0.039% *  0.0750% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  16.71 +/- 0.70   0.003% *  0.2345% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.02 +/- 1.06   0.009% *  0.0481% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 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   2.93 +/- 0.04  99.936% * 99.1570% (1.00   5.75 170.04) = 100.000%  kept
          HA    THR   26 - HB    ILE   19  10.52 +/- 0.44   0.049% *  0.0860% (0.25   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB    ILE   19  13.35 +/- 0.36   0.011% *  0.3183% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  17.31 +/- 0.54   0.002% *  0.3093% (0.90   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  23.68 +/- 0.31   0.000% *  0.1294% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 1.0, support = 5.3, residual support = 170.0:
    * O T HG12  ILE   19 - HB    ILE   19   2.69 +/- 0.24  93.567% * 97.4551% (1.00   5.31 170.04) =  99.990%  kept
        T HG    LEU   73 - HB    ILE   19   4.77 +/- 0.75   5.590% *  0.1253% (0.34   0.02   4.00) =   0.008%
          HB3   LYS+  74 - HB    ILE   19   6.09 +/- 0.35   0.764% *  0.2080% (0.57   0.02   5.27) =   0.002%
          QB    ALA   61 - HB    ILE   19  10.68 +/- 0.55   0.028% *  0.3187% (0.87   0.02   0.02) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  10.78 +/- 0.49   0.026% *  0.2668% (0.73   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  11.93 +/- 0.36   0.014% *  0.1134% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.04 +/- 0.65   0.005% *  0.1933% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  16.58 +/- 0.26   0.002% *  0.3641% (0.99   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  16.98 +/- 0.79   0.002% *  0.3601% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  18.18 +/- 0.44   0.001% *  0.2808% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  19.96 +/- 1.07   0.001% *  0.2228% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.51 +/- 0.65   0.001% *  0.0916% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 1.0, support = 5.0, residual support = 170.0:
    * O T HG13  ILE   19 - HB    ILE   19   2.34 +/- 0.22  95.278% * 97.6380% (1.00   5.00 170.04) =  99.983%  kept
        T HG    LEU   71 - HB    ILE   19   5.35 +/- 1.24   4.404% *  0.3503% (0.90   0.02   0.02) =   0.017%
        T HG2   LYS+  74 - HB    ILE   19   8.19 +/- 0.42   0.059% *  0.3605% (0.92   0.02   5.27) =   0.000%
          QB    ALA   34 - HB    ILE   19   7.08 +/- 0.50   0.200% *  0.0870% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   19   8.56 +/- 0.99   0.046% *  0.3262% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  16.21 +/- 1.81   0.008% *  0.2211% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  15.39 +/- 0.98   0.001% *  0.3694% (0.95   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  13.66 +/- 0.50   0.003% *  0.1466% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  16.71 +/- 0.53   0.001% *  0.3262% (0.84   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  22.65 +/- 1.02   0.000% *  0.0974% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  23.16 +/- 0.51   0.000% *  0.0773% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 1.0, support = 3.86, residual support = 170.0:
    * O T QD1   ILE   19 - HB    ILE   19   3.00 +/- 0.08  95.670% * 98.2115% (1.00   3.87 170.04) =  99.984%  kept
          QG2   VAL   18 - HB    ILE   19   5.29 +/- 0.45   3.600% *  0.3690% (0.73   0.02  23.63) =   0.014%
          QG1   VAL   43 - HB    ILE   19   7.46 +/- 0.36   0.426% *  0.2473% (0.49   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    ILE   19   9.94 +/- 0.42   0.075% *  0.4244% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    ILE   19   8.51 +/- 0.36   0.189% *  0.1568% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  14.48 +/- 0.67   0.008% *  0.4904% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  11.76 +/- 1.01   0.032% *  0.1006% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 170.0:
    * O T HA    ILE   19 - HG12  ILE   19   2.31 +/- 0.56  99.248% * 98.4464% (1.00   6.31 170.04) =  99.999%  kept
        T HA    ILE   19 - HG    LEU   73   7.10 +/- 1.11   0.347% *  0.1018% (0.33   0.02   4.00) =   0.000%
          HA    SER   82 - HG    LEU   80   7.59 +/- 0.65   0.195% *  0.0480% (0.15   0.02   0.32) =   0.000%
          HA    GLU-  25 - HG    LEU   80   8.98 +/- 0.39   0.066% *  0.1181% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  10.35 +/- 0.44   0.029% *  0.0940% (0.30   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19  10.98 +/- 0.35   0.027% *  0.0778% (0.25   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73   8.97 +/- 0.84   0.067% *  0.0254% (0.08   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  14.49 +/- 0.39   0.005% *  0.2878% (0.92   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  12.34 +/- 0.31   0.010% *  0.0319% (0.10   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  18.98 +/- 0.58   0.001% *  0.2797% (0.90   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  17.71 +/- 0.70   0.001% *  0.1279% (0.41   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  18.85 +/- 1.23   0.001% *  0.1147% (0.37   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  17.26 +/- 0.50   0.002% *  0.0913% (0.29   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  25.20 +/- 0.35   0.000% *  0.1170% (0.38   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  21.00 +/- 0.79   0.000% *  0.0382% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 1.0, support = 5.3, residual support = 170.0:
    * O T HB    ILE   19 - HG12  ILE   19   2.69 +/- 0.24  92.960% * 96.3423% (1.00   5.31 170.04) =  99.989%  kept
        T HB    ILE   19 - HG    LEU   73   4.77 +/- 0.75   5.544% *  0.1186% (0.33   0.02   4.00) =   0.007%
          HB2   GLN   17 - HG12  ILE   19   6.12 +/- 0.72   1.017% *  0.2056% (0.57   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG12  ILE   19   7.12 +/- 0.51   0.320% *  0.2056% (0.57   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG    LEU   80   9.35 +/- 1.02   0.066% *  0.1138% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  13.54 +/- 0.37   0.006% *  0.3600% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  11.42 +/- 1.05   0.021% *  0.0672% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  11.50 +/- 0.41   0.018% *  0.0809% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  11.87 +/- 0.74   0.015% *  0.0906% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.72 +/- 0.84   0.016% *  0.0672% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  15.09 +/- 0.33   0.003% *  0.2776% (0.76   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  16.98 +/- 0.79   0.002% *  0.1490% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  17.04 +/- 0.35   0.002% *  0.1176% (0.32   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.88 +/- 1.19   0.000% *  0.3600% (0.99   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  18.70 +/- 1.57   0.001% *  0.1176% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  19.79 +/- 0.59   0.001% *  0.1493% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.55 +/- 0.35   0.003% *  0.0264% (0.07   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.40 +/- 0.50   0.000% *  0.1363% (0.38   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  22.19 +/- 1.50   0.000% *  0.1476% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  18.96 +/- 0.71   0.001% *  0.0445% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  24.91 +/- 0.59   0.000% *  0.1768% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  20.28 +/- 0.39   0.001% *  0.0488% (0.13   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  22.65 +/- 0.99   0.000% *  0.0843% (0.23   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.45 +/- 0.89   0.000% *  0.0577% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  23.10 +/- 0.80   0.000% *  0.0843% (0.23   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  24.27 +/- 1.62   0.000% *  0.0725% (0.20   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  23.83 +/- 1.43   0.000% *  0.0559% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  25.81 +/- 1.18   0.000% *  0.0612% (0.17   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  29.93 +/- 1.04   0.000% *  0.1476% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  28.50 +/- 1.08   0.000% *  0.0332% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 1.0, support = 5.31, residual support = 170.0:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  98.754% * 95.9349% (1.00   5.31 170.04) =  99.997%  kept
        T HG    LEU   71 - HG12  ILE   19   5.76 +/- 1.47   0.941% *  0.3243% (0.90   0.02   0.02) =   0.003%
        T HG13  ILE   19 - HG    LEU   73   6.44 +/- 0.82   0.055% *  0.1181% (0.33   0.02   4.00) =   0.000%
        T HG    LEU   71 - HG    LEU   73   6.94 +/- 1.20   0.043% *  0.1059% (0.29   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   5.79 +/- 1.11   0.143% *  0.0263% (0.07   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   8.19 +/- 1.06   0.025% *  0.0805% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HG12  ILE   19   9.17 +/- 0.77   0.006% *  0.3021% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19   9.78 +/- 0.43   0.003% *  0.3338% (0.92   0.02   5.27) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.48 +/- 0.82   0.009% *  0.1090% (0.30   0.02  45.79) =   0.000%
          QG2   THR   39 - HG    LEU   73   8.88 +/- 1.09   0.008% *  0.0987% (0.27   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  16.99 +/- 2.57   0.002% *  0.2048% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80   9.91 +/- 1.22   0.005% *  0.0370% (0.10   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  11.96 +/- 1.14   0.001% *  0.1239% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  13.23 +/- 1.41   0.001% *  0.1369% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  14.00 +/- 1.41   0.000% *  0.1117% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.79 +/- 1.10   0.000% *  0.3421% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  14.96 +/- 1.89   0.001% *  0.0669% (0.18   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  15.16 +/- 0.50   0.000% *  0.1357% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  18.36 +/- 0.69   0.000% *  0.3021% (0.84   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.30 +/- 0.42   0.000% *  0.0987% (0.27   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.55 +/- 0.46   0.000% *  0.0443% (0.12   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  15.96 +/- 1.05   0.000% *  0.0557% (0.15   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  18.63 +/- 0.61   0.000% *  0.1483% (0.41   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  20.22 +/- 1.27   0.000% *  0.1330% (0.37   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  19.87 +/- 0.80   0.000% *  0.1239% (0.34   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  15.92 +/- 0.64   0.000% *  0.0330% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  25.15 +/- 1.21   0.000% *  0.1403% (0.39   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  19.64 +/- 1.11   0.000% *  0.0295% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  24.75 +/- 1.12   0.000% *  0.0902% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  25.74 +/- 1.50   0.000% *  0.0840% (0.23   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.37 +/- 0.48   0.000% *  0.0716% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  21.65 +/- 0.84   0.000% *  0.0234% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  22.90 +/- 1.37   0.000% *  0.0294% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 1.0, support = 4.07, residual support = 170.0:
    * O T QD1   ILE   19 - HG12  ILE   19   2.16 +/- 0.00  95.484% * 96.7402% (1.00   4.07 170.04) =  99.995%  kept
          QG1   VAL   43 - HG    LEU   73   4.47 +/- 1.02   2.951% *  0.0757% (0.16   0.02   9.21) =   0.002%
        T QD1   ILE   19 - HG    LEU   73   5.30 +/- 0.91   0.837% *  0.1554% (0.33   0.02   4.00) =   0.001%
          QG2   VAL   18 - HG12  ILE   19   6.03 +/- 0.50   0.237% *  0.3456% (0.73   0.02  23.63) =   0.001%
          QG1   VAL   41 - HG    LEU   73   6.41 +/- 1.40   0.330% *  0.0480% (0.10   0.02   0.23) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.68 +/- 0.89   0.062% *  0.1129% (0.24   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   9.58 +/- 0.46   0.013% *  0.2316% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  11.32 +/- 0.46   0.005% *  0.3975% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19  10.03 +/- 0.88   0.013% *  0.1469% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73   9.83 +/- 0.67   0.012% *  0.1298% (0.27   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   8.93 +/- 1.64   0.036% *  0.0308% (0.06   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80  11.36 +/- 1.06   0.006% *  0.1630% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80  11.34 +/- 0.88   0.005% *  0.0950% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.88 +/- 1.39   0.003% *  0.1500% (0.32   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  15.99 +/- 1.06   0.001% *  0.4593% (0.97   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  14.61 +/- 0.46   0.001% *  0.1952% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  13.71 +/- 1.27   0.002% *  0.0942% (0.20   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  15.88 +/- 1.31   0.001% *  0.1417% (0.30   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  14.73 +/- 1.50   0.001% *  0.0386% (0.08   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  15.60 +/- 0.91   0.001% *  0.0602% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  20.78 +/- 1.43   0.000% *  0.1884% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.27 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   3.10 +/- 0.50  99.139% * 98.9884% (1.00   5.75 170.04) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   7.56 +/- 1.10   0.721% *  0.0493% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  10.82 +/- 0.27   0.073% *  0.0858% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  14.22 +/- 0.22   0.014% *  0.3178% (0.92   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  19.22 +/- 0.62   0.002% *  0.3087% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  15.02 +/- 1.13   0.011% *  0.0456% (0.13   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  12.23 +/- 1.13   0.038% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  25.32 +/- 0.25   0.000% *  0.1292% (0.38   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  21.30 +/- 1.03   0.001% *  0.0443% (0.13   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  27.41 +/- 1.18   0.000% *  0.0185% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 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   2.34 +/- 0.22  94.610% * 97.5463% (1.00   5.00 170.04) =  99.996%  kept
        T HB    ILE   19 - HG    LEU   71   5.35 +/- 1.24   4.323% *  0.0559% (0.14   0.02   0.02) =   0.003%
          HB2   GLN   17 - HG13  ILE   19   6.75 +/- 0.72   0.288% *  0.2209% (0.57   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   6.83 +/- 0.57   0.175% *  0.2209% (0.57   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   6.42 +/- 1.39   0.541% *  0.0317% (0.08   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  13.32 +/- 0.47   0.003% *  0.3867% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71   9.96 +/- 1.18   0.028% *  0.0317% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  11.35 +/- 0.51   0.008% *  0.0869% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  14.96 +/- 0.45   0.001% *  0.2982% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  12.48 +/- 0.94   0.006% *  0.0554% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.89 +/- 0.91   0.014% *  0.0125% (0.03   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.58 +/- 1.07   0.000% *  0.3867% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  20.08 +/- 0.59   0.000% *  0.1604% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  16.31 +/- 1.19   0.001% *  0.0427% (0.11   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.23 +/- 0.42   0.000% *  0.1464% (0.38   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  24.69 +/- 0.43   0.000% *  0.1899% (0.49   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  21.09 +/- 1.25   0.000% *  0.0554% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  21.44 +/- 0.73   0.000% *  0.0210% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  21.98 +/- 0.80   0.000% *  0.0230% (0.06   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.65 +/- 0.95   0.000% *  0.0272% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 170.0:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  98.930% * 97.0500% (1.00   5.31 170.04) =  99.999%  kept
        T HG12  ILE   19 - HG    LEU   71   5.76 +/- 1.47   0.943% *  0.0524% (0.14   0.02   0.02) =   0.001%
        T HG    LEU   73 - HG13  ILE   19   6.44 +/- 0.82   0.055% *  0.1248% (0.34   0.02   4.00) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   7.87 +/- 0.49   0.013% *  0.2071% (0.57   0.02   5.27) =   0.000%
        T HG    LEU   73 - HG    LEU   71   6.94 +/- 1.20   0.043% *  0.0179% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  11.10 +/- 0.52   0.002% *  0.2657% (0.73   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19  11.51 +/- 0.54   0.001% *  0.3174% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.33 +/- 0.86   0.005% *  0.0381% (0.10   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  13.05 +/- 0.68   0.001% *  0.1129% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  14.41 +/- 0.58   0.000% *  0.1925% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.21 +/- 1.21   0.002% *  0.0297% (0.08   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71  10.49 +/- 0.41   0.002% *  0.0162% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  18.26 +/- 0.29   0.000% *  0.3626% (0.99   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  18.63 +/- 0.61   0.000% *  0.3586% (0.98   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  13.31 +/- 0.71   0.001% *  0.0455% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  19.94 +/- 0.37   0.000% *  0.2796% (0.76   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  14.19 +/- 0.81   0.000% *  0.0276% (0.08   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  21.22 +/- 1.02   0.000% *  0.2219% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  19.32 +/- 0.67   0.000% *  0.0520% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  21.36 +/- 1.04   0.000% *  0.0912% (0.25   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  20.22 +/- 1.27   0.000% *  0.0514% (0.14   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  19.16 +/- 1.48   0.000% *  0.0318% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  17.61 +/- 0.99   0.000% *  0.0131% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  21.70 +/- 1.26   0.000% *  0.0401% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 1.0, support = 3.86, residual support = 170.0:
    * O T QD1   ILE   19 - HG13  ILE   19   2.16 +/- 0.00  98.294% * 97.8887% (1.00   3.86 170.04) =  99.998%  kept
        T QD1   ILE   19 - HG    LEU   71   4.89 +/- 0.84   1.242% *  0.0726% (0.14   0.02   0.02) =   0.001%
          QG2   VAL   18 - HG13  ILE   19   6.30 +/- 0.37   0.175% *  0.3679% (0.73   0.02  23.63) =   0.001%
          QG1   VAL   43 - HG13  ILE   19   9.06 +/- 0.53   0.019% *  0.2466% (0.49   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   71   6.43 +/- 0.56   0.169% *  0.0224% (0.04   0.02   2.75) =   0.000%
          QG1   VAL   41 - HG13  ILE   19   9.21 +/- 0.58   0.018% *  0.1564% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  11.57 +/- 0.46   0.004% *  0.4231% (0.84   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   8.50 +/- 0.85   0.034% *  0.0527% (0.10   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   8.44 +/- 0.68   0.031% *  0.0353% (0.07   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  15.24 +/- 0.90   0.001% *  0.4889% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.00 +/- 0.84   0.002% *  0.1003% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.36 +/- 0.83   0.003% *  0.0701% (0.14   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  13.83 +/- 1.00   0.002% *  0.0607% (0.12   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  11.04 +/- 0.68   0.006% *  0.0144% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 4.6, residual support = 170.0:
    *   T HA    ILE   19 - QD1   ILE   19   2.98 +/- 0.11  99.471% * 98.9485% (1.00   4.60 170.04) =  99.999%  kept
          HA    THR   26 - QD1   ILE   19   7.33 +/- 0.30   0.471% *  0.1073% (0.25   0.02   0.02) =   0.001%
          HA    GLU-  25 - QD1   ILE   19  10.47 +/- 0.30   0.054% *  0.3971% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  16.81 +/- 0.51   0.003% *  0.3858% (0.90   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  20.14 +/- 0.48   0.001% *  0.1614% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 170.0:
    * O T HB    ILE   19 - QD1   ILE   19   3.00 +/- 0.08  98.298% * 97.2945% (1.00   3.87 170.04) =  99.995%  kept
          QB    GLU-  15 - QD1   ILE   19   6.68 +/- 0.44   0.864% *  0.2850% (0.57   0.02   0.02) =   0.003%
          HB2   GLN   17 - QD1   ILE   19   6.85 +/- 0.43   0.735% *  0.2850% (0.57   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   ILE   19  10.90 +/- 0.48   0.045% *  0.3847% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   ILE   19  12.93 +/- 0.44   0.015% *  0.4989% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  11.21 +/- 0.46   0.037% *  0.1121% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  19.16 +/- 0.96   0.002% *  0.4989% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  18.06 +/- 0.48   0.002% *  0.2069% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  19.09 +/- 0.40   0.002% *  0.1889% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  21.80 +/- 0.45   0.001% *  0.2450% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.07, residual support = 170.0:
    * O T HG12  ILE   19 - QD1   ILE   19   2.16 +/- 0.00  99.004% * 96.7046% (1.00   4.07 170.04) =  99.998%  kept
        T HG    LEU   73 - QD1   ILE   19   5.30 +/- 0.91   0.849% *  0.1623% (0.34   0.02   4.00) =   0.001%
          HB3   LYS+  74 - QD1   ILE   19   6.65 +/- 0.42   0.127% *  0.2693% (0.57   0.02   5.27) =   0.000%
          QB    ALA   61 - QD1   ILE   19  10.78 +/- 0.41   0.007% *  0.4127% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19  11.17 +/- 0.40   0.005% *  0.3455% (0.73   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  11.54 +/- 0.37   0.004% *  0.1468% (0.31   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  14.61 +/- 0.46   0.001% *  0.4663% (0.98   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  13.73 +/- 0.48   0.002% *  0.2503% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  16.01 +/- 0.26   0.001% *  0.4715% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  15.80 +/- 0.46   0.001% *  0.3636% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  19.31 +/- 0.93   0.000% *  0.2885% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  18.60 +/- 0.65   0.000% *  0.1186% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 1.0, support = 3.86, residual support = 170.0:
    * O T HG13  ILE   19 - QD1   ILE   19   2.16 +/- 0.00  98.487% * 96.9651% (1.00   3.86 170.04) =  99.994%  kept
        T HG    LEU   71 - QD1   ILE   19   4.89 +/- 0.84   1.244% *  0.4500% (0.90   0.02   0.02) =   0.006%
          QB    ALA   34 - QD1   ILE   19   6.52 +/- 0.60   0.182% *  0.1117% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   19   8.03 +/- 0.71   0.043% *  0.4191% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   8.60 +/- 0.43   0.026% *  0.4632% (0.92   0.02   5.27) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  13.80 +/- 1.91   0.015% *  0.2841% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.31 +/- 0.85   0.001% *  0.4747% (0.95   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.54 +/- 0.44   0.002% *  0.1883% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  15.55 +/- 0.52   0.001% *  0.4191% (0.84   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  20.31 +/- 1.21   0.000% *  0.1251% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.06 +/- 0.46   0.000% *  0.0993% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.60 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   2.11 +/- 0.00  99.997% * 97.4600% (1.00   2.31  15.24) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  13.72 +/- 0.25   0.001% *  0.5457% (0.65   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.48 +/- 0.41   0.001% *  0.4776% (0.57   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  17.95 +/- 0.69   0.000% *  0.5794% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  23.91 +/- 0.55   0.000% *  0.6754% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.57 +/- 0.41   0.000% *  0.1477% (0.18   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  21.73 +/- 0.83   0.000% *  0.1142% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.75 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   2.11 +/- 0.00  99.988% * 99.5063% (1.00   2.31  15.24) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20   9.48 +/- 0.33   0.012% *  0.3232% (0.38   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  20.51 +/- 0.31   0.000% *  0.1704% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 2.41, residual support = 27.3:
    * O T HB2   CYS   21 - HA    CYS   21   2.91 +/- 0.11  99.989% * 99.2255% (1.00   2.41  27.33) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  13.40 +/- 0.33   0.011% *  0.3087% (0.38   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  23.91 +/- 0.46   0.000% *  0.4657% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 2.38, residual support = 27.3:
    * O T HB3   CYS   21 - HA    CYS   21   2.30 +/- 0.09  99.999% * 99.4538% (0.69   2.38  27.33) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  16.88 +/- 0.46   0.001% *  0.5462% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 2.2, residual support = 27.3:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00 100.000% * 99.4103% (0.69   2.20  27.33) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  14.32 +/- 0.57   0.000% *  0.5897% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 2.2, residual support = 27.3:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.1515% (0.69   2.20  27.33) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  12.38 +/- 0.42   0.001% *  0.3382% (0.26   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  23.18 +/- 0.56   0.000% *  0.5102% (0.39   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 2.29, residual support = 33.0:
    * O T HB2   HIS   22 - HA    HIS   22   2.42 +/- 0.02 100.000% * 98.5605% (0.76   2.29  32.97) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  20.80 +/- 0.51   0.000% *  1.0727% (0.94   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  24.18 +/- 1.32   0.000% *  0.3667% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 3.45, residual support = 33.0:
    * O T HB3   HIS   22 - HA    HIS   22   3.03 +/- 0.00  99.998% * 99.5185% (0.95   3.45  32.97) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  18.72 +/- 0.98   0.002% *  0.4815% (0.79   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 2.29, residual support = 33.0:
    * O T HA    HIS   22 - HB2   HIS   22   2.42 +/- 0.02  99.997% * 98.2428% (0.76   2.29  32.97) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  14.14 +/- 0.49   0.003% *  0.8581% (0.76   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  23.08 +/- 0.31   0.000% *  0.8991% (0.79   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 33.0:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.6098% (0.80   4.26  32.97) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  19.82 +/- 1.10   0.000% *  0.3902% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 3.45, residual support = 33.0:
    * O T HA    HIS   22 - HB3   HIS   22   3.03 +/- 0.00  99.989% * 98.8278% (0.95   3.45  32.97) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  13.99 +/- 0.43   0.011% *  0.5724% (0.95   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  22.16 +/- 0.31   0.001% *  0.5998% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 33.0:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.2220% (0.80   4.26  32.97) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.71 +/- 0.48   0.000% *  0.5798% (1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  25.38 +/- 1.31   0.000% *  0.1982% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 3.25, residual support = 19.3:
    * O T QG2   THR   23 - HA    THR   23   2.31 +/- 0.30  99.968% * 98.3922% (0.80   3.25  19.35) = 100.000%  kept
          QG2   THR   77 - HA    THR   23   9.90 +/- 0.54   0.023% *  0.1684% (0.22   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.72 +/- 0.30   0.003% *  0.5060% (0.67   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  15.97 +/- 0.55   0.001% *  0.3919% (0.52   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  13.88 +/- 0.65   0.003% *  0.1349% (0.18   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  17.37 +/- 0.70   0.001% *  0.1349% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  23.74 +/- 1.28   0.000% *  0.2716% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.636, support = 3.25, residual support = 19.3:
    * O T HA    THR   23 - QG2   THR   23   2.31 +/- 0.30  42.952% * 73.2997% (0.80   3.25  19.35) =  68.495%  kept
      O   HB    THR   23 - QG2   THR   23   2.16 +/- 0.01  56.897% * 25.4515% (0.28   3.25  19.35) =  31.505%  kept
          HA    LEU   80 - QG2   THR   23   6.81 +/- 0.82   0.071% *  0.2317% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91   6.98 +/- 0.96   0.070% *  0.0587% (0.10   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   23  10.12 +/- 0.63   0.006% *  0.5587% (0.99   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  11.40 +/- 0.60   0.003% *  0.0244% (0.04   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  13.88 +/- 0.65   0.001% *  0.0474% (0.08   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  17.37 +/- 0.70   0.000% *  0.1005% (0.18   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  17.43 +/- 0.80   0.000% *  0.0349% (0.06   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.09 +/- 0.74   0.000% *  0.1244% (0.22   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  15.96 +/- 0.69   0.000% *  0.0165% (0.03   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  21.56 +/- 0.72   0.000% *  0.0516% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 3.41, residual support = 65.6:
    * O T QG1   VAL   24 - HA    VAL   24   2.50 +/- 0.46  99.929% * 98.4566% (1.00   3.41  65.58) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24   9.21 +/- 0.16   0.069% *  0.2587% (0.45   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  16.50 +/- 0.53   0.002% *  0.4819% (0.84   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  26.14 +/- 0.93   0.000% *  0.5656% (0.98   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  23.10 +/- 0.78   0.000% *  0.2372% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.41, residual support = 65.6:
    * O T HA    VAL   24 - QG1   VAL   24   2.50 +/- 0.46  99.997% * 99.2758% (1.00   3.41  65.58) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  16.90 +/- 0.67   0.002% *  0.3764% (0.65   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  16.70 +/- 1.21   0.001% *  0.1295% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  21.16 +/- 0.95   0.000% *  0.2183% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.19, residual support = 127.3:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.98 +/- 0.01  99.983% * 98.3667% (1.00   5.19 127.33) = 100.000%  kept
          HB2   MET   96 - HA    GLU-  25  15.51 +/- 0.45   0.005% *  0.2147% (0.57   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.32 +/- 1.29   0.002% *  0.3717% (0.98   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HA    SER   82  15.26 +/- 0.82   0.006% *  0.1228% (0.32   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  20.61 +/- 0.42   0.001% *  0.3587% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.75 +/- 0.93   0.001% *  0.1294% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  21.44 +/- 1.42   0.001% *  0.0664% (0.18   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  21.43 +/- 0.95   0.001% *  0.0695% (0.18   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  26.62 +/- 1.56   0.000% *  0.1204% (0.32   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  30.42 +/- 0.68   0.000% *  0.1162% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  33.85 +/- 1.15   0.000% *  0.0419% (0.11   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  33.48 +/- 1.37   0.000% *  0.0215% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.3:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.75 +/- 0.02  99.920% * 96.8331% (1.00   5.00 127.33) = 100.000%  kept
          HG3   GLN   30 - HA    GLU-  25   9.79 +/- 1.03   0.066% *  0.0966% (0.25   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    GLU-  25  13.35 +/- 0.36   0.008% *  0.2960% (0.76   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  15.25 +/- 1.04   0.004% *  0.1255% (0.32   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  18.64 +/- 1.00   0.001% *  0.3664% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  20.01 +/- 0.37   0.001% *  0.3664% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.00 +/- 1.11   0.000% *  0.3235% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  25.07 +/- 0.37   0.000% *  0.2349% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  26.77 +/- 0.37   0.000% *  0.2661% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  28.16 +/- 0.58   0.000% *  0.3474% (0.90   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  23.68 +/- 0.31   0.000% *  0.0959% (0.25   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  25.71 +/- 1.16   0.000% *  0.1048% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  27.65 +/- 1.30   0.000% *  0.1125% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  28.45 +/- 0.78   0.000% *  0.1187% (0.31   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  23.09 +/- 0.80   0.000% *  0.0313% (0.08   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  29.12 +/- 0.70   0.000% *  0.1187% (0.31   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  34.99 +/- 0.69   0.000% *  0.0761% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  36.40 +/- 0.52   0.000% *  0.0862% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 127.3:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.10 +/- 0.20  99.967% * 98.9747% (1.00   4.31 127.33) = 100.000%  kept
          HB3   TRP   87 - HA    SER   82   8.36 +/- 0.22   0.031% *  0.0667% (0.15   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HA    SER   82  15.64 +/- 0.85   0.001% *  0.1487% (0.32   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  17.37 +/- 1.36   0.000% *  0.2058% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.46 +/- 0.45   0.000% *  0.1565% (0.34   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  24.36 +/- 0.83   0.000% *  0.0507% (0.11   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  32.82 +/- 0.55   0.000% *  0.1722% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  31.78 +/- 0.44   0.000% *  0.1276% (0.28   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  33.80 +/- 0.99   0.000% *  0.0558% (0.12   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  33.41 +/- 0.83   0.000% *  0.0413% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 3.72, residual support = 127.3:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.34 +/- 0.07  99.815% * 97.5722% (1.00   3.72 127.33) = 100.000%  kept
          HB2   GLU-  79 - HA    GLU-  25  11.18 +/- 0.34   0.072% *  0.3180% (0.61   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82  11.02 +/- 0.43   0.080% *  0.1030% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  16.16 +/- 0.92   0.008% *  0.2350% (0.45   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - HA    SER   82  15.42 +/- 0.58   0.011% *  0.1698% (0.32   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  16.76 +/- 2.10   0.008% *  0.0761% (0.15   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  21.83 +/- 1.47   0.001% *  0.2350% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  21.51 +/- 1.32   0.002% *  0.1606% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  26.76 +/- 0.87   0.000% *  0.4959% (0.95   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  24.18 +/- 0.51   0.001% *  0.2758% (0.53   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  24.92 +/- 1.10   0.001% *  0.0893% (0.17   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  28.15 +/- 0.59   0.000% *  0.1458% (0.28   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  31.16 +/- 1.03   0.000% *  0.0761% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  30.15 +/- 0.77   0.000% *  0.0472% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 127.3:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.98 +/- 0.01  99.986% * 99.1528% (1.00   5.19 127.33) = 100.000%  kept
          HA    ILE   19 - HB2   GLU-  25  14.46 +/- 0.32   0.008% *  0.3528% (0.92   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   GLU-  25  15.26 +/- 0.82   0.006% *  0.2318% (0.61   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  23.74 +/- 0.66   0.000% *  0.2626% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 5.19, residual support = 127.3:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.996% * 97.7647% (1.00   5.19 127.33) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25  10.29 +/- 1.11   0.003% *  0.0940% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  13.87 +/- 0.51   0.000% *  0.2880% (0.76   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  19.03 +/- 0.99   0.000% *  0.3565% (0.95   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  19.93 +/- 0.49   0.000% *  0.3565% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.55 +/- 1.05   0.000% *  0.3148% (0.84   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  25.74 +/- 0.39   0.000% *  0.2286% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  27.58 +/- 0.35   0.000% *  0.2589% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  29.71 +/- 0.49   0.000% *  0.3380% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 4.5, residual support = 127.3:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.92 +/- 0.16  99.997% * 99.3626% (1.00   4.50 127.33) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  18.21 +/- 1.79   0.002% *  0.1981% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  21.99 +/- 0.56   0.001% *  0.1507% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  34.07 +/- 0.63   0.000% *  0.1658% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  33.02 +/- 0.54   0.000% *  0.1228% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 3.92, residual support = 127.3:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.75 +/- 0.08  99.969% * 98.3682% (1.00   3.92 127.33) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  10.82 +/- 0.49   0.029% *  0.3042% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.78 +/- 0.99   0.001% *  0.2249% (0.45   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  22.82 +/- 1.30   0.000% *  0.2249% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  27.21 +/- 0.84   0.000% *  0.4745% (0.95   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  25.71 +/- 0.61   0.000% *  0.2639% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  28.56 +/- 0.71   0.000% *  0.1395% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 127.3:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.75 +/- 0.02  99.992% * 99.1212% (1.00   5.00 127.33) = 100.000%  kept
        T HA    ILE   19 - HB3   GLU-  25  14.96 +/- 0.23   0.004% *  0.3660% (0.92   0.02   0.02) =   0.000%
        T HA    SER   82 - HB3   GLU-  25  15.25 +/- 1.04   0.004% *  0.2405% (0.61   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  24.09 +/- 0.88   0.000% *  0.2723% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 5.19, residual support = 127.3:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.8535% (1.00   5.19 127.33) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  18.76 +/- 1.41   0.000% *  0.3735% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  17.61 +/- 0.59   0.000% *  0.2158% (0.57   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  22.19 +/- 0.47   0.000% *  0.3605% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.73 +/- 1.02   0.000% *  0.1300% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  23.65 +/- 1.40   0.000% *  0.0667% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 127.3:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.80 +/- 0.08  99.998% * 99.3545% (1.00   4.44 127.33) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  18.16 +/- 1.28   0.002% *  0.2006% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  22.18 +/- 0.59   0.000% *  0.1526% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  34.32 +/- 0.64   0.000% *  0.1679% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  33.28 +/- 0.59   0.000% *  0.1244% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.3:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.29 +/- 0.05  99.990% * 98.3447% (1.00   3.87 127.33) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  11.18 +/- 0.96   0.009% *  0.3086% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  17.65 +/- 1.26   0.001% *  0.2281% (0.45   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  22.94 +/- 1.89   0.000% *  0.2281% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  27.51 +/- 1.26   0.000% *  0.4813% (0.95   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  25.80 +/- 0.71   0.000% *  0.2677% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  29.00 +/- 0.69   0.000% *  0.1415% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.3:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.10 +/- 0.20  99.999% * 98.9827% (1.00   4.31 127.33) = 100.000%  kept
          HA    ILE   19 - HG2   GLU-  25  16.24 +/- 0.25   0.001% *  0.4237% (0.92   0.02   0.02) =   0.000%
        T HA    SER   82 - HG2   GLU-  25  15.64 +/- 0.85   0.001% *  0.2784% (0.61   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  24.98 +/- 0.61   0.000% *  0.3153% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 4.5, residual support = 127.3:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.92 +/- 0.16  99.995% * 98.6799% (1.00   4.50 127.33) = 100.000%  kept
          HB2   MET   96 - HG2   GLU-  25  17.34 +/- 0.53   0.002% *  0.2484% (0.57   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   GLU-  25  19.82 +/- 1.29   0.001% *  0.4301% (0.98   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.50 +/- 0.46   0.001% *  0.4151% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.07 +/- 0.96   0.001% *  0.1497% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  22.83 +/- 1.45   0.000% *  0.0768% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 127.3:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.80 +/- 0.08  99.964% * 97.3988% (1.00   4.44 127.33) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  11.31 +/- 1.12   0.030% *  0.1094% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  15.19 +/- 0.44   0.004% *  0.3352% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  20.04 +/- 1.11   0.001% *  0.4149% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.73 +/- 0.45   0.000% *  0.4149% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  26.59 +/- 1.03   0.000% *  0.3663% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  26.86 +/- 0.39   0.000% *  0.2660% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  28.60 +/- 0.37   0.000% *  0.3013% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  29.92 +/- 0.55   0.000% *  0.3933% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 127.3:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.999% * 98.0735% (1.00   3.31 127.33) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  12.43 +/- 0.45   0.001% *  0.3592% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  16.94 +/- 1.17   0.000% *  0.2655% (0.45   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  23.25 +/- 1.52   0.000% *  0.2655% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  28.29 +/- 0.87   0.000% *  0.5602% (0.95   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  25.79 +/- 0.65   0.000% *  0.3115% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  30.06 +/- 0.65   0.000% *  0.1646% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 127.3:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.34 +/- 0.07  99.983% * 98.8231% (1.00   3.72 127.33) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  15.42 +/- 0.58   0.011% *  0.3220% (0.61   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.89 +/- 0.20   0.006% *  0.4901% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  25.76 +/- 0.62   0.000% *  0.3647% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 127.3:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.75 +/- 0.08  99.998% * 98.4891% (1.00   3.92 127.33) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  20.43 +/- 1.33   0.001% *  0.4922% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  18.75 +/- 0.50   0.001% *  0.2843% (0.57   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.73 +/- 0.43   0.000% *  0.4751% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.44 +/- 0.89   0.000% *  0.1713% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  24.31 +/- 1.40   0.000% *  0.0879% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.3:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.29 +/- 0.05  99.993% * 97.0228% (1.00   3.87 127.33) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  12.13 +/- 1.03   0.005% *  0.1252% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  16.08 +/- 0.40   0.001% *  0.3836% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  20.78 +/- 0.93   0.000% *  0.4748% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  22.39 +/- 0.40   0.000% *  0.4748% (0.95   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  27.74 +/- 1.06   0.000% *  0.4193% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  27.82 +/- 0.39   0.000% *  0.3045% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  29.62 +/- 0.38   0.000% *  0.3448% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  31.13 +/- 0.55   0.000% *  0.4502% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.3:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.1364% (1.00   3.31 127.33) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  18.51 +/- 1.49   0.000% *  0.2684% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  23.65 +/- 0.52   0.000% *  0.2042% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  35.90 +/- 0.57   0.000% *  0.2246% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  34.88 +/- 0.49   0.000% *  0.1664% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 0.02, residual support = 28.4:
    * O T HB    THR   26 - HA    THR   26   3.03 +/- 0.01 100.000% * 36.7127% (1.00   0.02  28.40) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  24.44 +/- 0.57   0.000% * 33.8901% (0.92   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  31.96 +/- 0.51   0.000% * 29.3972% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 20 structures by 0.41 A, eliminated.
    Peak unassigned.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.05, residual support = 28.4:
    * O T QG2   THR   26 - HA    THR   26   2.60 +/- 0.03  99.991% * 97.1661% (1.00   3.05  28.40) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.95 +/- 0.45   0.007% *  0.5718% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  22.05 +/- 1.23   0.000% *  0.6320% (0.99   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  18.89 +/- 0.54   0.001% *  0.1773% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  24.11 +/- 0.64   0.000% *  0.4125% (0.65   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.38 +/- 0.67   0.000% *  0.1262% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  28.24 +/- 1.09   0.000% *  0.6153% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  27.27 +/- 0.68   0.000% *  0.1262% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  26.86 +/- 0.45   0.000% *  0.0863% (0.14   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  28.40 +/- 0.89   0.000% *  0.0863% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.999, support = 0.02, residual support = 28.4:
    * O T HA    THR   26 - HB    THR   26   3.03 +/- 0.01  99.556% * 22.7542% (1.00   0.02  28.40) =  99.865%  kept
          HA    ASN   28 - HB    THR   26   7.74 +/- 0.07   0.361% *  7.0230% (0.31   0.02   0.02) =   0.112%
          HA    ILE   19 - HB    THR   26  10.12 +/- 0.26   0.073% *  5.6738% (0.25   0.02   0.02) =   0.018%
          HA    ALA   34 - HB    THR   26  15.03 +/- 0.44   0.007% * 11.0757% (0.49   0.02   0.02) =   0.003%
          HA1   GLY  101 - HB    THR   26  19.84 +/- 1.91   0.001% * 15.6300% (0.69   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    THR   26  21.15 +/- 0.70   0.001% * 11.0757% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  29.53 +/- 0.76   0.000% * 19.0059% (0.84   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  25.68 +/- 0.58   0.000% *  7.7616% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 20 structures by 0.26 A, eliminated.
    Peak unassigned.
 
    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 = 2.96, residual support = 28.4:
    * O T QG2   THR   26 - HB    THR   26   2.14 +/- 0.01  99.994% * 97.0818% (1.00   2.96  28.40) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26  11.12 +/- 0.50   0.005% *  0.5889% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  20.85 +/- 1.26   0.000% *  0.6508% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  19.40 +/- 0.67   0.000% *  0.1826% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  23.47 +/- 0.71   0.000% *  0.4248% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  28.00 +/- 0.95   0.000% *  0.6337% (0.97   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  22.02 +/- 0.69   0.000% *  0.1299% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  26.94 +/- 0.75   0.000% *  0.1299% (0.20   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  26.31 +/- 0.54   0.000% *  0.0889% (0.14   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  26.99 +/- 0.92   0.000% *  0.0889% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 1.0, support = 3.05, residual support = 28.4:
    * O T HA    THR   26 - QG2   THR   26   2.60 +/- 0.03  99.297% * 97.8208% (1.00   3.05  28.40) =  99.999%  kept
          HA    ASN   28 - QG2   THR   26   6.46 +/- 0.08   0.426% *  0.1981% (0.31   0.02   0.02) =   0.001%
          HA    ILE   19 - QG2   THR   26   7.07 +/- 0.24   0.257% *  0.1601% (0.25   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  11.20 +/- 0.41   0.016% *  0.3125% (0.49   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  16.16 +/- 1.54   0.002% *  0.4409% (0.69   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  17.93 +/- 0.56   0.001% *  0.3125% (0.49   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  24.61 +/- 0.63   0.000% *  0.5362% (0.84   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  21.24 +/- 0.48   0.000% *  0.2190% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 2.96, residual support = 28.4:
    * O T HB    THR   26 - QG2   THR   26   2.14 +/- 0.01 100.000% * 98.8475% (1.00   2.96  28.40) = 100.000%  kept
          HA    ASP-  62 - QG2   THR   26  18.39 +/- 0.52   0.000% *  0.6171% (0.92   0.02   0.02) =   0.000%
        T HA    SER  117 - QG2   THR   26  25.61 +/- 0.45   0.000% *  0.5353% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 95.9:
    * O T HB2   TRP   27 - HA    TRP   27   2.83 +/- 0.01  99.987% * 99.3514% (1.00   4.44  95.94) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  12.70 +/- 0.28   0.012% *  0.2008% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  19.70 +/- 0.18   0.001% *  0.4478% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 95.9:
    * O T HB3   TRP   27 - HA    TRP   27   2.20 +/- 0.00  99.997% * 98.7361% (1.00   4.44  95.94) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  16.50 +/- 0.47   0.001% *  0.4437% (1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  15.12 +/- 0.68   0.001% *  0.1994% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  15.60 +/- 0.56   0.001% *  0.2164% (0.49   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  18.60 +/- 0.69   0.000% *  0.3054% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.96 +/- 0.95   0.001% *  0.0990% (0.22   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 = 95.9:
    * O T HA    TRP   27 - HB2   TRP   27   2.83 +/- 0.01  99.996% * 98.9961% (1.00   4.44  95.94) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  16.56 +/- 1.54   0.003% *  0.4119% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  19.71 +/- 0.63   0.001% *  0.3573% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  22.80 +/- 0.53   0.000% *  0.2348% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 95.9:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 98.8702% (1.00   4.97  95.94) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  16.83 +/- 0.59   0.000% *  0.3966% (1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  15.84 +/- 0.50   0.000% *  0.1935% (0.49   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  16.58 +/- 0.68   0.000% *  0.1782% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  18.04 +/- 0.80   0.000% *  0.2730% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  18.54 +/- 0.88   0.000% *  0.0885% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 95.9:
    * O T HA    TRP   27 - HB3   TRP   27   2.20 +/- 0.00  99.999% * 98.9969% (1.00   4.44  95.94) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  16.43 +/- 1.55   0.001% *  0.4115% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.72 +/- 0.58   0.000% *  0.3570% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  21.98 +/- 0.51   0.000% *  0.2346% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 95.9:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.998% * 99.4211% (1.00   4.97  95.94) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  10.58 +/- 0.30   0.002% *  0.1792% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  17.62 +/- 0.18   0.000% *  0.3997% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 4.22, residual support = 102.4:
    * O T HB2   ASN   28 - HA    ASN   28   2.88 +/- 0.01  99.611% * 98.1955% (1.00   4.22 102.44) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   7.78 +/- 0.61   0.287% *  0.2088% (0.45   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28   9.58 +/- 0.92   0.092% *  0.4565% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  14.24 +/- 0.47   0.007% *  0.0719% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  18.04 +/- 0.38   0.002% *  0.2450% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  20.32 +/- 1.25   0.001% *  0.4494% (0.97   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28  19.96 +/- 0.82   0.001% *  0.3729% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 1.0, support = 4.2, residual support = 102.4:
    * O T HB3   ASN   28 - HA    ASN   28   2.91 +/- 0.01  98.908% * 99.2690% (1.00   4.20 102.44) =  99.995%  kept
          HG2   GLN   30 - HA    ASN   28   6.42 +/- 0.63   1.091% *  0.4363% (0.92   0.02   6.85) =   0.005%
          QE    LYS+ 121 - HA    ASN   28  21.44 +/- 1.05   0.001% *  0.2119% (0.45   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  22.56 +/- 0.87   0.000% *  0.0828% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 1.0, support = 4.22, residual support = 102.4:
    * O T HA    ASN   28 - HB2   ASN   28   2.88 +/- 0.01  93.609% * 96.8181% (1.00   4.22 102.44) =  99.990%  kept
          HA    THR   26 - HB2   ASN   28   4.94 +/- 0.14   3.739% *  0.1417% (0.31   0.02   0.02) =   0.006%
          HA    ALA   34 - HB2   ASN   35   5.67 +/- 0.28   1.671% *  0.1351% (0.29   0.02  17.54) =   0.002%
          HA1   GLY  101 - HB2   ASN   35   7.39 +/- 1.53   0.675% *  0.1144% (0.25   0.02   0.02) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   7.78 +/- 0.61   0.270% *  0.1428% (0.31   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.68 +/- 0.17   0.013% *  0.4344% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  14.84 +/- 1.91   0.006% *  0.3677% (0.80   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  12.65 +/- 0.54   0.013% *  0.0441% (0.10   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  17.20 +/- 0.38   0.002% *  0.0804% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  25.19 +/- 0.56   0.000% *  0.4582% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  25.22 +/- 0.38   0.000% *  0.2970% (0.65   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  23.60 +/- 0.90   0.000% *  0.1425% (0.31   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.44 +/- 0.96   0.000% *  0.2970% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  26.58 +/- 1.33   0.000% *  0.0924% (0.20   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  26.51 +/- 0.77   0.000% *  0.0751% (0.16   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  32.27 +/- 0.66   0.000% *  0.2416% (0.53   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  28.06 +/- 0.61   0.000% *  0.0924% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  25.53 +/- 0.90   0.000% *  0.0250% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 5.15, residual support = 102.4:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.973% * 99.0995% (1.00   5.15 102.44) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.50 +/- 0.55   0.018% *  0.3554% (0.92   0.02   6.85) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35   8.93 +/- 0.60   0.006% *  0.1198% (0.31   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  10.20 +/- 0.61   0.003% *  0.1106% (0.29   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  19.15 +/- 1.46   0.000% *  0.0537% (0.14   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  23.78 +/- 1.02   0.000% *  0.1726% (0.45   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  25.17 +/- 0.84   0.000% *  0.0674% (0.18   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  20.90 +/- 1.00   0.000% *  0.0210% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 102.4:
    * O T HA    ASN   28 - HB3   ASN   28   2.91 +/- 0.01  97.384% * 97.6527% (1.00   4.20 102.44) =  99.996%  kept
          HA    THR   26 - HB3   ASN   28   5.35 +/- 0.12   2.584% *  0.1435% (0.31   0.02   0.02) =   0.004%
          HA    ALA   34 - HB3   ASN   28  11.84 +/- 0.17   0.022% *  0.4399% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  14.21 +/- 1.85   0.009% *  0.3723% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  18.94 +/- 0.39   0.001% *  0.0814% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  25.93 +/- 0.57   0.000% *  0.4640% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  26.46 +/- 0.40   0.000% *  0.3008% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  29.18 +/- 1.00   0.000% *  0.3008% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  32.30 +/- 0.66   0.000% *  0.2446% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 5.15, residual support = 102.4:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.990% * 98.5169% (1.00   5.15 102.44) = 100.000%  kept
          QE    LYS+  33 - HB3   ASN   28  10.29 +/- 1.07   0.003% *  0.3752% (0.98   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HB3   ASN   28   8.93 +/- 0.60   0.006% *  0.1716% (0.45   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  20.22 +/- 0.83   0.000% *  0.3065% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  15.49 +/- 0.41   0.000% *  0.0591% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  19.09 +/- 0.40   0.000% *  0.2014% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  22.35 +/- 1.31   0.000% *  0.3694% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 0.998, support = 5.0, residual support = 83.7:
    * O T HB2   GLU-  29 - HA    GLU-  29   3.03 +/- 0.07  99.160% * 96.9596% (1.00   5.00  83.75) =  99.999%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.55 +/- 0.60   0.219% *  0.1064% (0.27   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HA    GLN   32   8.65 +/- 0.13   0.186% *  0.0869% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33   9.88 +/- 1.70   0.181% *  0.0211% (0.05   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  11.28 +/- 1.40   0.065% *  0.0326% (0.08   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  14.66 +/- 2.09   0.013% *  0.1197% (0.31   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  11.72 +/- 1.30   0.040% *  0.0399% (0.10   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  12.29 +/- 2.19   0.046% *  0.0328% (0.08   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  13.57 +/- 1.45   0.015% *  0.0768% (0.20   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    GLU-  29  15.03 +/- 0.36   0.007% *  0.1456% (0.37   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  17.18 +/- 1.33   0.004% *  0.1456% (0.37   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  13.91 +/- 0.40   0.011% *  0.0399% (0.10   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  17.85 +/- 0.76   0.002% *  0.1739% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  13.23 +/- 1.74   0.020% *  0.0172% (0.04   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  17.13 +/- 0.44   0.003% *  0.1078% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  14.87 +/- 0.34   0.007% *  0.0326% (0.08   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.91 +/- 2.18   0.007% *  0.0268% (0.07   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  23.11 +/- 0.42   0.001% *  0.2664% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  25.25 +/- 1.99   0.000% *  0.3802% (0.98   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  19.69 +/- 0.66   0.001% *  0.0597% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  17.98 +/- 0.58   0.002% *  0.0296% (0.08   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  20.99 +/- 0.47   0.001% *  0.0731% (0.19   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  26.73 +/- 0.55   0.000% *  0.3106% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  17.55 +/- 0.54   0.003% *  0.0242% (0.06   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  24.44 +/- 0.62   0.000% *  0.1739% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.02 +/- 0.65   0.001% *  0.0389% (0.10   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.13 +/- 0.70   0.001% *  0.0477% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  24.92 +/- 0.45   0.000% *  0.0852% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  25.78 +/- 2.03   0.000% *  0.0851% (0.22   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  24.85 +/- 0.52   0.000% *  0.0696% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  28.11 +/- 1.82   0.000% *  0.1043% (0.27   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  26.24 +/- 0.77   0.000% *  0.0389% (0.10   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  28.21 +/- 0.70   0.000% *  0.0477% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.856, support = 5.1, residual support = 83.7:
      O   HB3   GLU-  29 - HA    GLU-  29   2.49 +/- 0.06  60.424% * 41.9036% (0.80   4.97  83.75) =  71.239%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.09 +/- 0.22  17.893% * 57.0976% (1.00   5.43  83.75) =  28.744%  kept
          QB    GLU-  36 - HA    LYS+  33   3.11 +/- 0.34  18.952% *  0.0281% (0.13   0.02   0.02) =   0.015%
          QB    GLU-  36 - HA    GLN   32   4.26 +/- 0.15   2.488% *  0.0229% (0.11   0.02   0.02) =   0.002%
          QB    GLU-  36 - HA    GLU-  29   8.20 +/- 0.30   0.048% *  0.1024% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.86 +/- 0.57   0.066% *  0.0462% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   8.27 +/- 0.17   0.045% *  0.0377% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   9.13 +/- 0.26   0.025% *  0.0471% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   9.24 +/- 0.55   0.026% *  0.0419% (0.20   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.98 +/- 0.28   0.015% *  0.0577% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.11 +/- 0.51   0.015% *  0.0342% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  15.61 +/- 0.82   0.001% *  0.1528% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  15.43 +/- 0.24   0.001% *  0.0865% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  27.45 +/- 0.55   0.000% *  0.1990% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  18.75 +/- 0.41   0.000% *  0.0194% (0.09   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  20.58 +/- 0.32   0.000% *  0.0237% (0.11   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  29.38 +/- 0.68   0.000% *  0.0446% (0.21   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  31.53 +/- 0.65   0.000% *  0.0546% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 4.48, residual support = 83.7:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.56 +/- 0.19  99.840% * 97.6027% (1.00   4.48  83.75) = 100.000%  kept
        T HG2   GLU-  29 - HA    GLN   32   8.76 +/- 0.35   0.093% *  0.0977% (0.22   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    LYS+  33   9.38 +/- 0.36   0.057% *  0.1196% (0.27   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.58 +/- 0.19   0.001% *  0.2820% (0.65   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  16.83 +/- 0.82   0.002% *  0.0971% (0.22   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  14.02 +/- 0.96   0.004% *  0.0217% (0.05   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  24.39 +/- 0.92   0.000% *  0.4208% (0.96   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  16.45 +/- 0.88   0.002% *  0.0266% (0.06   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.27 +/- 0.52   0.001% *  0.0632% (0.14   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  25.91 +/- 0.61   0.000% *  0.2644% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.24 +/- 0.39   0.000% *  0.0774% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.80 +/- 0.45   0.000% *  0.2820% (0.65   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.36 +/- 0.72   0.000% *  0.1087% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  23.85 +/- 0.62   0.000% *  0.0725% (0.17   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  26.56 +/- 1.16   0.000% *  0.0942% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  24.84 +/- 0.49   0.000% *  0.0592% (0.14   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.43 +/- 0.79   0.000% *  0.0243% (0.06   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.68 +/- 0.46   0.000% *  0.0774% (0.18   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.01 +/- 0.71   0.000% *  0.0298% (0.07   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.26 +/- 0.43   0.000% *  0.0632% (0.14   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  29.98 +/- 0.94   0.000% *  0.1154% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 1 structures by 0.01 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.0, residual support = 83.7:
    * O T HA    GLU-  29 - HB2   GLU-  29   3.03 +/- 0.07  99.570% * 97.5556% (1.00   5.00  83.75) =  99.999%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.55 +/- 0.60   0.220% *  0.3700% (0.95   0.02   0.02) =   0.001%
        T HA    GLN   32 - HB2   GLU-  29   8.65 +/- 0.13   0.187% *  0.1753% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLU-  29  13.38 +/- 0.43   0.014% *  0.3911% (1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  15.21 +/- 0.37   0.006% *  0.2686% (0.69   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  19.54 +/- 0.69   0.001% *  0.3876% (0.99   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  19.88 +/- 0.61   0.001% *  0.2840% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  26.18 +/- 0.89   0.000% *  0.1904% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  29.61 +/- 0.44   0.000% *  0.2686% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  26.28 +/- 0.61   0.000% *  0.1087% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.833, support = 3.99, residual support = 83.7:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  89.430% * 37.9659% (0.80   3.81  83.75) =  83.958%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.50 +/- 0.04  10.567% * 61.3945% (1.00   4.93  83.75) =  16.042%  kept
          QB    GLU-  36 - HB2   GLU-  29   9.98 +/- 0.43   0.003% *  0.1211% (0.49   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  13.92 +/- 0.33   0.000% *  0.1023% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.96 +/- 1.06   0.000% *  0.1807% (0.73   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  26.13 +/- 0.66   0.000% *  0.2354% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 4.24, residual support = 83.7:
    * O T HG2   GLU-  29 - HB2   GLU-  29   3.05 +/- 0.01  99.992% * 98.4505% (1.00   4.24  83.75) = 100.000%  kept
          HB3   PHE   45 - HB2   GLU-  29  17.56 +/- 0.21   0.003% *  0.3004% (0.65   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.15 +/- 0.80   0.003% *  0.1034% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   GLU-  29  24.12 +/- 0.97   0.000% *  0.4481% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  24.49 +/- 0.65   0.000% *  0.2816% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  25.58 +/- 0.53   0.000% *  0.3004% (0.65   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  22.90 +/- 0.78   0.001% *  0.1158% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.998, support = 4.48, residual support = 83.7:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.56 +/- 0.19  99.844% * 97.2780% (1.00   4.48  83.75) = 100.000%  kept
        T HA    LYS+  33 - HG2   GLU-  29   9.38 +/- 0.36   0.057% *  0.4120% (0.95   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   GLU-  29   8.76 +/- 0.35   0.093% *  0.1952% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLU-  29  16.13 +/- 0.87   0.003% *  0.4355% (1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.41 +/- 0.80   0.002% *  0.2992% (0.69   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  19.38 +/- 0.71   0.001% *  0.4316% (0.99   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  21.76 +/- 0.68   0.000% *  0.3162% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  26.78 +/- 0.77   0.000% *  0.2120% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  31.94 +/- 0.86   0.000% *  0.2992% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.23 +/- 0.73   0.000% *  0.1211% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 0.02, residual support = 83.7:
    * O T HB2   GLU-  29 - HG2   GLU-  29   3.05 +/- 0.01  99.958% * 16.9500% (1.00   0.02  83.75) =  99.988%  kept
          QG    GLU-  14 - HG2   GLU-  29  15.08 +/- 2.23   0.012% *  5.2316% (0.31   0.02   0.02) =   0.004%
          QG    GLU-  15 - HG2   GLU-  29  14.63 +/- 1.81   0.017% *  3.3544% (0.20   0.02   0.02) =   0.003%
          HB3   PHE   72 - HG2   GLU-  29  16.21 +/- 0.90   0.005% *  6.3615% (0.38   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HG2   GLU-  29  17.48 +/- 0.85   0.003% *  7.5992% (0.45   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HG2   GLU-  29  18.00 +/- 0.74   0.002% *  4.7127% (0.28   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   GLU-  29  19.59 +/- 1.42   0.002% *  6.3615% (0.38   0.02   0.02) =   0.001%
          HG3   MET   92 - HG2   GLU-  29  25.75 +/- 2.04   0.000% * 16.6143% (0.98   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  24.98 +/- 0.68   0.000% * 11.6431% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  24.31 +/- 0.57   0.000% *  7.5992% (0.45   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  28.18 +/- 1.04   0.000% * 13.5725% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 20 structures by 0.29 A, eliminated.
    Peak unassigned.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.984, support = 4.6, residual support = 83.7:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  89.479% * 56.8477% (1.00   4.63  83.75) =  91.918%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.51 +/- 0.05  10.519% * 42.5206% (0.80   4.32  83.75) =   8.082%  kept
        T QB    GLU-  36 - HG2   GLU-  29  10.13 +/- 0.29   0.002% *  0.1196% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  14.99 +/- 0.24   0.000% *  0.1010% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  17.94 +/- 0.94   0.000% *  0.1785% (0.73   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  27.36 +/- 0.61   0.000% *  0.2325% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.971, support = 4.83, residual support = 157.9:
    * O T HB2   GLN   30 - HA    GLN   30   2.41 +/- 0.07  75.868% * 53.0566% (1.00   4.84 157.94) =  78.488%  kept
      O T HG3   GLN   30 - HA    GLN   30   3.01 +/- 0.35  24.111% * 45.7571% (0.87   4.81 157.94) =  21.512%  kept
          QB    GLU-  15 - HA    GLN   30  10.41 +/- 1.26   0.016% *  0.0384% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   30  15.53 +/- 1.31   0.001% *  0.2174% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  13.65 +/- 0.73   0.002% *  0.0384% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  16.54 +/- 0.57   0.001% *  0.1068% (0.49   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  21.53 +/- 0.79   0.000% *  0.1242% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  25.33 +/- 0.49   0.000% *  0.2194% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  25.11 +/- 0.76   0.000% *  0.2025% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  27.27 +/- 0.57   0.000% *  0.1903% (0.87   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  27.50 +/- 0.64   0.000% *  0.0488% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.9, support = 4.41, residual support = 136.9:
    * O T HB3   GLN   30 - HA    GLN   30   3.03 +/- 0.02  19.614% * 94.4768% (1.00   4.97 157.94) =  86.643%  kept
          QB    LYS+  33 - HA    GLN   30   2.33 +/- 0.60  80.382% *  3.5540% (0.25   0.75   0.10) =  13.357%  kept
          HB3   LYS+  38 - HA    GLN   30  13.39 +/- 0.84   0.003% *  0.3595% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.75 +/- 0.51   0.000% *  0.1563% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  23.04 +/- 1.73   0.000% *  0.3668% (0.97   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  19.53 +/- 3.51   0.001% *  0.0666% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  20.90 +/- 0.35   0.000% *  0.1426% (0.38   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  23.91 +/- 0.41   0.000% *  0.3175% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  24.73 +/- 0.58   0.000% *  0.3175% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  18.92 +/- 0.37   0.000% *  0.0666% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  27.38 +/- 0.39   0.000% *  0.1173% (0.31   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  25.67 +/- 0.71   0.000% *  0.0586% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 5.78, residual support = 157.9:
    * O T HG2   GLN   30 - HA    GLN   30   2.92 +/- 0.25  99.516% * 99.3294% (1.00   5.78 157.94) =  99.998%  kept
          HB3   ASN   28 - HA    GLN   30   7.26 +/- 0.04   0.482% *  0.3173% (0.92   0.02   6.85) =   0.002%
          QE    LYS+ 121 - HA    GLN   30  21.72 +/- 1.19   0.001% *  0.2361% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  21.21 +/- 0.79   0.001% *  0.1172% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 4.84, residual support = 157.9:
    * O T HA    GLN   30 - HB2   GLN   30   2.41 +/- 0.07  99.881% * 98.6407% (1.00   4.84 157.94) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   8.83 +/- 1.13   0.054% *  0.1017% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   8.75 +/- 0.75   0.054% *  0.0629% (0.15   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  13.42 +/- 2.37   0.011% *  0.1134% (0.28   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  20.74 +/- 0.82   0.000% *  0.3117% (0.76   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  21.64 +/- 0.40   0.000% *  0.2309% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  26.25 +/- 0.67   0.000% *  0.4043% (0.99   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.86 +/- 0.52   0.000% *  0.0714% (0.18   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  24.25 +/- 0.91   0.000% *  0.0629% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 3.85, residual support = 157.9:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  98.227% * 97.2550% (1.00   3.85 157.94) =  99.998%  kept
          QB    LYS+  33 - HB2   GLN   30   3.50 +/- 0.33   1.772% *  0.1260% (0.25   0.02   0.10) =   0.002%
          HB3   LYS+  38 - HB2   GLN   30  13.53 +/- 1.00   0.001% *  0.4782% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  16.64 +/- 0.54   0.000% *  0.2078% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  21.50 +/- 1.63   0.000% *  0.4878% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.72 +/- 0.44   0.000% *  0.4222% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  22.34 +/- 0.60   0.000% *  0.4222% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.32 +/- 0.48   0.000% *  0.0885% (0.18   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  19.31 +/- 3.03   0.000% *  0.0885% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  20.25 +/- 0.43   0.000% *  0.1897% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  25.97 +/- 0.45   0.000% *  0.1560% (0.31   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  23.45 +/- 0.69   0.000% *  0.0780% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 5.95, residual support = 157.9:
    * O T HG2   GLN   30 - HB2   GLN   30   2.82 +/- 0.28  99.849% * 99.3482% (1.00   5.95 157.94) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   8.51 +/- 0.08   0.149% *  0.3084% (0.92   0.02   6.85) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  20.36 +/- 1.12   0.001% *  0.2295% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  19.25 +/- 0.82   0.001% *  0.1140% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 4.97, residual support = 157.9:
    * O T HA    GLN   30 - HB3   GLN   30   3.03 +/- 0.02  99.762% * 98.6770% (1.00   4.97 157.94) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30   9.71 +/- 1.14   0.116% *  0.0990% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30   9.79 +/- 0.67   0.097% *  0.0613% (0.15   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  14.72 +/- 2.45   0.021% *  0.1104% (0.28   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  19.92 +/- 0.76   0.001% *  0.3034% (0.76   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  20.05 +/- 0.45   0.001% *  0.2247% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.25 +/- 0.68   0.000% *  0.3935% (0.99   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  21.51 +/- 0.50   0.001% *  0.0695% (0.18   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  22.71 +/- 0.96   0.001% *  0.0613% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.993, support = 3.9, residual support = 157.9:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  94.891% * 47.0548% (1.00   3.85 157.94) =  94.426%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.88 +/- 0.16   5.105% * 51.6228% (0.87   4.87 157.94) =   5.574%  kept
          QB    GLU-  15 - HB3   GLN   30  10.60 +/- 1.21   0.003% *  0.0428% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  15.81 +/- 1.18   0.000% *  0.2424% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  12.31 +/- 0.56   0.001% *  0.0428% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  15.88 +/- 0.55   0.000% *  0.1190% (0.49   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  18.53 +/- 0.81   0.000% *  0.1385% (0.57   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  22.48 +/- 0.75   0.000% *  0.2258% (0.92   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  23.04 +/- 0.53   0.000% *  0.2446% (1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  24.47 +/- 0.51   0.000% *  0.2121% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  24.79 +/- 0.58   0.000% *  0.0544% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 5.72, residual support = 157.9:
    * O T HG2   GLN   30 - HB3   GLN   30   2.77 +/- 0.20  99.681% * 99.3219% (1.00   5.72 157.94) =  99.999%  kept
          HB3   ASN   28 - HB3   GLN   30   7.32 +/- 0.14   0.317% *  0.3208% (0.92   0.02   6.85) =   0.001%
          QE    LYS+ 121 - HB3   GLN   30  20.21 +/- 1.16   0.001% *  0.2387% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  19.47 +/- 0.79   0.001% *  0.1185% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 157.9:
    * O T HA    GLN   30 - HG2   GLN   30   2.92 +/- 0.25  99.861% * 98.8600% (1.00   5.78 157.94) = 100.000%  kept
          QB    SER   13 - HG2   GLN   30  14.13 +/- 2.70   0.050% *  0.0951% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HG2   GLN   30  11.43 +/- 1.04   0.041% *  0.0853% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  11.00 +/- 0.87   0.045% *  0.0528% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  21.05 +/- 0.83   0.001% *  0.2614% (0.76   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  20.12 +/- 0.61   0.001% *  0.1937% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  26.45 +/- 0.70   0.000% *  0.3391% (0.99   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.85 +/- 0.65   0.001% *  0.0599% (0.18   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  23.88 +/- 1.10   0.000% *  0.0528% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 0.877, support = 6.35, residual support = 157.9:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  93.331% * 47.7335% (0.87   6.38 157.94) =  92.868%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.82 +/- 0.28   6.665% * 51.3331% (1.00   5.95 157.94) =   7.132%  kept
          QB    GLU-  15 - HG2   GLN   30  10.81 +/- 0.99   0.002% *  0.0302% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.50 +/- 0.65   0.001% *  0.0302% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  17.88 +/- 1.29   0.000% *  0.1711% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  16.81 +/- 0.44   0.000% *  0.0840% (0.49   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HG2   GLN   30  20.16 +/- 0.84   0.000% *  0.0977% (0.57   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  24.81 +/- 0.95   0.000% *  0.1593% (0.92   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  25.21 +/- 0.72   0.000% *  0.1726% (1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.55 +/- 0.73   0.000% *  0.1497% (0.87   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  27.06 +/- 0.75   0.000% *  0.0384% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 5.72, residual support = 157.9:
    * O T HB3   GLN   30 - HG2   GLN   30   2.77 +/- 0.20  95.483% * 98.1352% (1.00   5.72 157.94) =  99.996%  kept
          QB    LYS+  33 - HG2   GLN   30   4.90 +/- 0.60   4.506% *  0.0856% (0.25   0.02   0.10) =   0.004%
          HB3   LYS+  38 - HG2   GLN   30  15.83 +/- 1.07   0.004% *  0.3248% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  18.09 +/- 0.74   0.001% *  0.1412% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  21.77 +/- 1.94   0.000% *  0.3314% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  18.95 +/- 0.49   0.001% *  0.1289% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  19.74 +/- 3.67   0.002% *  0.0601% (0.18   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.81 +/- 0.57   0.000% *  0.2868% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  23.73 +/- 0.68   0.000% *  0.2868% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.45 +/- 0.69   0.001% *  0.0601% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  25.56 +/- 0.66   0.000% *  0.1060% (0.31   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  23.78 +/- 0.83   0.000% *  0.0530% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 226.8:
    * O T HB2   LEU   31 - HA    LEU   31   2.98 +/- 0.02  99.606% * 97.5451% (1.00   6.00 226.85) =  99.999%  kept
          HG    LEU   98 - HA    LEU   31   8.36 +/- 1.00   0.268% *  0.1711% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31  10.57 +/- 0.58   0.053% *  0.2361% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  10.91 +/- 0.70   0.044% *  0.2716% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  13.05 +/- 0.64   0.015% *  0.2604% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  16.16 +/- 0.64   0.004% *  0.3138% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  15.99 +/- 0.47   0.004% *  0.2916% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  17.20 +/- 0.46   0.003% *  0.1337% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  19.20 +/- 0.90   0.001% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  23.64 +/- 0.95   0.000% *  0.3223% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  22.08 +/- 0.90   0.001% *  0.2103% (0.65   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  22.72 +/- 0.82   0.001% *  0.1220% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 226.9:
    * O T HB3   LEU   31 - HA    LEU   31   2.66 +/- 0.04  99.940% * 98.9290% (1.00   6.00 226.85) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31   9.85 +/- 0.40   0.040% *  0.1478% (0.45   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  11.68 +/- 0.20   0.014% *  0.2133% (0.65   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  14.88 +/- 0.31   0.003% *  0.0578% (0.18   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  20.49 +/- 0.54   0.000% *  0.3290% (1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.29 +/- 0.47   0.002% *  0.0446% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  21.33 +/- 0.54   0.000% *  0.0917% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  26.60 +/- 0.85   0.000% *  0.1867% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.81, support = 5.37, residual support = 210.0:
    * O T HG    LEU   31 - HA    LEU   31   3.21 +/- 0.60  67.920% * 70.5047% (0.80   5.65 226.85) =  92.420%  kept
          QD2   LEU   73 - HA    LEU   31   4.34 +/- 0.24  13.527% * 28.9297% (0.92   2.01   5.09) =   7.552%  kept
          QG1   VAL   41 - HA    LEU   31   4.16 +/- 0.39  18.548% *  0.0778% (0.25   0.02   0.02) =   0.028%
          QD1   ILE   56 - HA    LEU   31  16.81 +/- 0.30   0.004% *  0.3112% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  19.90 +/- 0.59   0.002% *  0.1766% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 226.9:
    *   T QD1   LEU   31 - HA    LEU   31   3.17 +/- 0.23 100.000% *100.0000% (1.00   4.85 226.85) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 226.9:
    *   T QD2   LEU   31 - HA    LEU   31   2.12 +/- 0.51  99.898% * 99.5058% (1.00   5.73 226.85) = 100.000%  kept
        T QG2   VAL   43 - HA    LEU   31   7.55 +/- 0.18   0.100% *  0.0865% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   83 - HA    LEU   31  15.60 +/- 0.80   0.001% *  0.2520% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  17.62 +/- 1.39   0.001% *  0.1556% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 226.9:
    * O T HA    LEU   31 - HB2   LEU   31   2.98 +/- 0.02 100.000% *100.0000% (1.00   6.00 226.85) = 100.000%  kept
    Distance limit 3.99 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 = 226.9:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.990% * 98.9290% (1.00   6.00 226.85) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   8.38 +/- 0.17   0.008% *  0.1478% (0.45   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.18 +/- 0.23   0.001% *  0.2133% (0.65   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  16.30 +/- 0.38   0.000% *  0.0578% (0.18   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  22.81 +/- 0.66   0.000% *  0.3290% (1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.47 +/- 0.54   0.000% *  0.0446% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  23.71 +/- 0.59   0.000% *  0.0917% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  28.25 +/- 0.96   0.000% *  0.1867% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 5.67, residual support = 226.8:
    * O T HG    LEU   31 - HB2   LEU   31   2.41 +/- 0.33  98.534% * 98.8100% (0.80   5.68 226.85) =  99.996%  kept
          QD2   LEU   73 - HB2   LEU   31   5.87 +/- 0.33   0.873% *  0.4014% (0.92   0.02   5.09) =   0.004%
          QG1   VAL   41 - HB2   LEU   31   6.26 +/- 0.45   0.592% *  0.1084% (0.25   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB2   LEU   31  18.17 +/- 0.36   0.001% *  0.4339% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  22.25 +/- 0.62   0.000% *  0.2462% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 226.9:
    * O T QD1   LEU   31 - HB2   LEU   31   2.93 +/- 0.13 100.000% *100.0000% (1.00   4.87 226.85) = 100.000%  kept
    Distance limit 3.70 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 = 5.76, residual support = 226.8:
    * O T QD2   LEU   31 - HB2   LEU   31   2.71 +/- 0.29  99.834% * 99.5083% (1.00   5.76 226.85) = 100.000%  kept
        T QG2   VAL   43 - HB2   LEU   31   8.05 +/- 0.20   0.159% *  0.0861% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB2   LEU   31  14.22 +/- 0.83   0.006% *  0.2508% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  16.98 +/- 1.49   0.002% *  0.1548% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 226.9:
    * O T HA    LEU   31 - HB3   LEU   31   2.66 +/- 0.04 100.000% *100.0000% (1.00   6.00 226.85) = 100.000%  kept
    Distance limit 3.66 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 = 226.9:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.988% * 97.5451% (1.00   6.00 226.85) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   8.72 +/- 0.98   0.008% *  0.1711% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  11.06 +/- 0.63   0.002% *  0.2361% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  12.00 +/- 0.69   0.001% *  0.2716% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  14.59 +/- 0.64   0.000% *  0.2604% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  15.49 +/- 0.69   0.000% *  0.3138% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  18.01 +/- 0.43   0.000% *  0.2916% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  16.77 +/- 0.52   0.000% *  0.1337% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.07 +/- 0.83   0.000% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  24.13 +/- 1.04   0.000% *  0.3223% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  23.47 +/- 0.95   0.000% *  0.2103% (0.65   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  22.12 +/- 0.89   0.000% *  0.1220% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 5.67, residual support = 226.8:
    * O T HG    LEU   31 - HB3   LEU   31   2.76 +/- 0.07  96.476% * 98.8098% (0.80   5.67 226.85) =  99.994%  kept
          QG1   VAL   41 - HB3   LEU   31   5.18 +/- 0.41   2.819% *  0.1085% (0.25   0.02   0.02) =   0.003%
        T QD2   LEU   73 - HB3   LEU   31   6.31 +/- 0.21   0.703% *  0.4015% (0.92   0.02   5.09) =   0.003%
          QD1   ILE   56 - HB3   LEU   31  17.92 +/- 0.31   0.001% *  0.4340% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   31  21.09 +/- 0.65   0.001% *  0.2462% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 4.87, residual support = 226.9:
    * O T QD1   LEU   31 - HB3   LEU   31   2.00 +/- 0.05 100.000% *100.0000% (1.00   4.87 226.85) = 100.000%  kept
    Distance limit 3.58 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 = 5.76, residual support = 226.8:
    * O T QD2   LEU   31 - HB3   LEU   31   3.07 +/- 0.08  99.667% * 99.5082% (1.00   5.76 226.85) = 100.000%  kept
        T QG2   VAL   43 - HB3   LEU   31   8.01 +/- 0.11   0.319% *  0.0861% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB3   LEU   31  14.58 +/- 0.88   0.009% *  0.2508% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  17.09 +/- 1.43   0.004% *  0.1549% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.65, residual support = 226.9:
    * O T HA    LEU   31 - HG    LEU   31   3.21 +/- 0.60 100.000% *100.0000% (0.80   5.65 226.85) = 100.000%  kept
    Distance limit 4.42 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 = 5.68, residual support = 226.8:
    * O T HB2   LEU   31 - HG    LEU   31   2.41 +/- 0.33  99.735% * 97.4082% (0.80   5.68 226.85) =  99.999%  kept
          HG    LEU   98 - HG    LEU   31   8.76 +/- 1.50   0.223% *  0.1806% (0.42   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  13.11 +/- 1.56   0.014% *  0.2867% (0.67   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  13.10 +/- 1.22   0.010% *  0.2493% (0.58   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  12.69 +/- 0.83   0.009% *  0.2749% (0.64   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  13.36 +/- 1.25   0.004% *  0.3313% (0.77   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  16.78 +/- 1.12   0.002% *  0.3079% (0.72   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  14.94 +/- 0.81   0.002% *  0.1411% (0.33   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  18.10 +/- 0.89   0.001% *  0.1288% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  22.72 +/- 1.03   0.000% *  0.3402% (0.79   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  23.27 +/- 1.48   0.000% *  0.2221% (0.52   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  20.47 +/- 1.02   0.000% *  0.1288% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 5.67, residual support = 226.8:
    * O T HB3   LEU   31 - HG    LEU   31   2.76 +/- 0.07  99.647% * 98.8683% (0.80   5.67 226.85) =  99.999%  kept
          QG1   VAL   24 - HG    LEU   31   7.49 +/- 0.83   0.325% *  0.1562% (0.36   0.02   0.02) =   0.001%
          QB    ALA   20 - HG    LEU   31  11.48 +/- 0.22   0.020% *  0.2254% (0.52   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  14.73 +/- 0.69   0.005% *  0.0610% (0.14   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  21.15 +/- 1.18   0.001% *  0.3477% (0.80   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.81 +/- 0.71   0.003% *  0.0472% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  22.32 +/- 1.19   0.000% *  0.0969% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  26.29 +/- 1.15   0.000% *  0.1973% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 4.65, residual support = 226.9:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.01 100.000% *100.0000% (0.80   4.65 226.85) = 100.000%  kept
    Distance limit 3.62 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 = 5.55, residual support = 226.8:
    * O T QD2   LEU   31 - HG    LEU   31   2.13 +/- 0.00  99.855% * 99.4891% (0.80   5.55 226.85) = 100.000%  kept
        T QG2   VAL   43 - HG    LEU   31   6.36 +/- 0.15   0.142% *  0.0895% (0.20   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG    LEU   31  13.14 +/- 1.11   0.002% *  0.2606% (0.58   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  15.50 +/- 1.51   0.001% *  0.1609% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 226.9:
    *   T HA    LEU   31 - QD1   LEU   31   3.17 +/- 0.23 100.000% *100.0000% (1.00   4.85 226.85) = 100.000%  kept
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 226.8:
    * O T HB2   LEU   31 - QD1   LEU   31   2.93 +/- 0.13  97.562% * 96.9947% (1.00   4.87 226.85) =  99.994%  kept
          HG    LEU   98 - QD1   LEU   31   5.87 +/- 0.84   2.195% *  0.2094% (0.53   0.02   0.02) =   0.005%
          HG2   LYS+  99 - QD1   LEU   31   9.98 +/- 0.69   0.070% *  0.3325% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.28 +/- 0.65   0.057% *  0.2891% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  10.58 +/- 0.47   0.047% *  0.3187% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD1   LEU   31  11.48 +/- 0.70   0.030% *  0.3842% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  13.79 +/- 0.33   0.009% *  0.3570% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31  12.54 +/- 0.42   0.017% *  0.1636% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  14.71 +/- 0.70   0.007% *  0.1494% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  17.98 +/- 0.88   0.002% *  0.3945% (0.99   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  16.82 +/- 0.71   0.003% *  0.1494% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  18.74 +/- 0.79   0.002% *  0.2575% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 4.87, residual support = 226.8:
    * O T HB3   LEU   31 - QD1   LEU   31   2.00 +/- 0.05  99.913% * 98.6845% (1.00   4.87 226.85) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   6.74 +/- 0.48   0.078% *  0.1816% (0.45   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  10.58 +/- 0.18   0.005% *  0.2620% (0.65   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  11.43 +/- 0.34   0.003% *  0.0709% (0.18   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  17.18 +/- 0.44   0.000% *  0.4042% (1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.42 +/- 0.47   0.002% *  0.0548% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  17.54 +/- 0.52   0.000% *  0.1126% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  21.44 +/- 0.77   0.000% *  0.2293% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.65, residual support = 226.8:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.01  96.405% * 98.5518% (0.80   4.65 226.85) =  99.993%  kept
          QG1   VAL   41 - QD1   LEU   31   4.00 +/- 0.45   3.142% *  0.1320% (0.25   0.02   0.02) =   0.004%
          QD2   LEU   73 - QD1   LEU   31   5.15 +/- 0.16   0.451% *  0.4885% (0.92   0.02   5.09) =   0.002%
          QD1   ILE   56 - QD1   LEU   31  13.41 +/- 0.27   0.001% *  0.5281% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  16.30 +/- 0.59   0.000% *  0.2996% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 226.8:
    * O T QD2   LEU   31 - QD1   LEU   31   2.10 +/- 0.02  99.370% * 99.3876% (1.00   4.62 226.85) =  99.999%  kept
        T QG2   VAL   43 - QD1   LEU   31   4.89 +/- 0.11   0.621% *  0.1072% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   83 - QD1   LEU   31  10.77 +/- 0.73   0.006% *  0.3123% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31  12.52 +/- 1.14   0.003% *  0.1928% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 226.9:
    *   T HA    LEU   31 - QD2   LEU   31   2.12 +/- 0.51  99.900% * 99.9764% (1.00   5.73 226.85) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.55 +/- 0.18   0.100% *  0.0236% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 226.8:
    * O T HB2   LEU   31 - QD2   LEU   31   2.71 +/- 0.29  95.688% * 97.2562% (1.00   5.76 226.85) =  99.997%  kept
          HG    LEU   98 - QD2   LEU   31   6.83 +/- 0.95   0.746% *  0.1776% (0.53   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QG2   VAL   43   5.20 +/- 0.29   2.266% *  0.0183% (0.05   0.02  15.18) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31   9.36 +/- 0.52   0.068% *  0.2703% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  10.39 +/- 0.67   0.039% *  0.2819% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.81 +/- 0.56   0.031% *  0.2451% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.80 +/- 1.21   0.629% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD2   LEU   31  11.25 +/- 0.49   0.021% *  0.3258% (0.97   0.02   0.02) =   0.000%
        T HB2   LEU   31 - QG2   VAL   43   8.05 +/- 0.20   0.150% *  0.0228% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  12.70 +/- 0.30   0.010% *  0.3027% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   9.36 +/- 0.75   0.071% *  0.0220% (0.07   0.02   0.02) =   0.000%
        T QB    ALA   84 - QD2   LEU   31  12.42 +/- 0.43   0.011% *  0.1388% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   8.55 +/- 0.72   0.123% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43   9.89 +/- 0.25   0.045% *  0.0205% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  14.22 +/- 0.71   0.005% *  0.1267% (0.38   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   9.54 +/- 0.19   0.057% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  18.31 +/- 0.75   0.001% *  0.3346% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  18.57 +/- 0.74   0.001% *  0.2184% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  12.93 +/- 0.81   0.010% *  0.0226% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.40 +/- 0.44   0.012% *  0.0191% (0.06   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  17.10 +/- 0.70   0.002% *  0.1267% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.85 +/- 0.58   0.004% *  0.0166% (0.05   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43  13.58 +/- 0.47   0.007% *  0.0086% (0.03   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.86 +/- 0.55   0.002% *  0.0148% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.76, residual support = 226.8:
    * O T HB3   LEU   31 - QD2   LEU   31   3.07 +/- 0.08  94.866% * 98.7878% (1.00   5.76 226.85) =  99.997%  kept
          QG1   VAL   24 - QD2   LEU   31   6.44 +/- 0.61   1.363% *  0.1537% (0.45   0.02   0.02) =   0.002%
          QB    ALA   20 - QD2   LEU   31   8.63 +/- 0.14   0.196% *  0.2218% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   6.29 +/- 1.12   2.337% *  0.0104% (0.03   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG2   VAL   43   8.01 +/- 0.11   0.304% *  0.0232% (0.07   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.30 +/- 0.25   0.251% *  0.0150% (0.04   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  11.62 +/- 0.28   0.033% *  0.0601% (0.18   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  16.45 +/- 0.45   0.004% *  0.3421% (1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   7.98 +/- 0.31   0.320% *  0.0041% (0.01   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.54 +/- 0.40   0.021% *  0.0464% (0.14   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.29 +/- 0.52   0.273% *  0.0031% (0.01   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.97 +/- 0.36   0.017% *  0.0232% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.76 +/- 0.53   0.003% *  0.0953% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  20.87 +/- 0.70   0.001% *  0.1941% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  15.82 +/- 0.84   0.006% *  0.0131% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.38 +/- 0.36   0.006% *  0.0065% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.8, support = 5.54, residual support = 226.7:
    * O T HG    LEU   31 - QD2   LEU   31   2.13 +/- 0.00  87.528% * 98.6774% (0.80   5.55 226.85) =  99.955%  kept
          QD2   LEU   73 - QD2   LEU   31   3.16 +/- 0.12   8.438% *  0.4103% (0.92   0.02   5.09) =   0.040%
          QG1   VAL   41 - QD2   LEU   31   4.19 +/- 0.60   3.368% *  0.1108% (0.25   0.02   0.02) =   0.004%
          QD2   LEU   73 - QG2   VAL   43   5.22 +/- 0.17   0.408% *  0.0278% (0.06   0.02   9.21) =   0.000%
        T HG    LEU   31 - QG2   VAL   43   6.36 +/- 0.15   0.125% *  0.0241% (0.05   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.53 +/- 0.36   0.112% *  0.0075% (0.02   0.02   3.09) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  12.91 +/- 0.21   0.002% *  0.4435% (1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43   8.74 +/- 0.31   0.019% *  0.0300% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.55 +/- 0.64   0.000% *  0.2516% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.23 +/- 0.51   0.001% *  0.0170% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 226.8:
    * O T QD1   LEU   31 - QD2   LEU   31   2.10 +/- 0.02  99.379% * 99.9707% (1.00   4.62 226.85) = 100.000%  kept
        T QD1   LEU   31 - QG2   VAL   43   4.89 +/- 0.11   0.621% *  0.0293% (0.07   0.02   0.02) =   0.000%
    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 = 0.688, support = 3.07, residual support = 43.1:
    * O T QB    GLN   32 - HA    GLN   32   2.35 +/- 0.12  90.614% * 36.4702% (0.69   2.96  44.89) =  94.124%  kept
        T QB    GLN   32 - HA    LYS+  33   4.22 +/- 0.29   3.355% * 61.2110% (0.71   4.82  14.34) =   5.849%  kept
        T QB    GLN   32 - HA    GLU-  29   3.74 +/- 0.19   5.996% *  0.1605% (0.45   0.02   0.02) =   0.027%
          HB    VAL   24 - HA    GLU-  29  10.81 +/- 0.29   0.010% *  0.1591% (0.44   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLN   32  11.57 +/- 0.92   0.008% *  0.1975% (0.55   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  12.15 +/- 0.96   0.006% *  0.2033% (0.57   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.26 +/- 0.24   0.002% *  0.2445% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  16.26 +/- 0.75   0.001% *  0.2343% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  13.05 +/- 1.68   0.005% *  0.0392% (0.11   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.74 +/- 0.27   0.001% *  0.2516% (0.70   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  17.33 +/- 0.82   0.001% *  0.1285% (0.36   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  19.43 +/- 0.68   0.000% *  0.2277% (0.63   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  15.90 +/- 1.86   0.002% *  0.0248% (0.07   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  17.11 +/- 1.80   0.001% *  0.0381% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  20.84 +/- 0.60   0.000% *  0.1482% (0.41   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  28.06 +/- 0.40   0.000% *  0.0502% (0.14   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  28.34 +/- 0.34   0.000% *  0.0488% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  29.20 +/- 0.89   0.000% *  0.0488% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  30.48 +/- 0.83   0.000% *  0.0502% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.42 +/- 0.75   0.000% *  0.0318% (0.09   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  28.56 +/- 0.49   0.000% *  0.0318% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.691, support = 3.34, residual support = 38.9:
    * O T QG    GLN   32 - HA    GLN   32   2.50 +/- 0.23  83.878% * 40.0085% (0.69   3.09  44.89) =  80.343%  kept
        T QG    GLN   32 - HA    LYS+  33   4.08 +/- 1.01  14.111% * 58.1609% (0.71   4.37  14.34) =  19.649%  kept
        T QG    GLN   32 - HA    GLU-  29   5.09 +/- 0.73   1.988% *  0.1685% (0.45   0.02   0.02) =   0.008%
        T HB2   GLU- 100 - HA    GLN   32  11.90 +/- 1.12   0.010% *  0.0720% (0.19   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  12.88 +/- 0.39   0.005% *  0.1462% (0.39   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  13.28 +/- 1.06   0.004% *  0.0741% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  16.47 +/- 0.48   0.001% *  0.2246% (0.60   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  17.82 +/- 0.37   0.001% *  0.2311% (0.61   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.43 +/- 0.79   0.000% *  0.1571% (0.42   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  17.90 +/- 0.92   0.001% *  0.0469% (0.12   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.27 +/- 0.52   0.000% *  0.0576% (0.15   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.01 +/- 0.71   0.000% *  0.1616% (0.43   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.58 +/- 0.19   0.001% *  0.0375% (0.10   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.24 +/- 0.39   0.000% *  0.0593% (0.16   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.36 +/- 0.72   0.000% *  0.1022% (0.27   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.26 +/- 0.43   0.000% *  0.0576% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.68 +/- 0.46   0.000% *  0.0593% (0.16   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.80 +/- 0.45   0.000% *  0.0375% (0.10   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  30.23 +/- 0.65   0.000% *  0.0512% (0.14   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  30.82 +/- 0.48   0.000% *  0.0527% (0.14   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  32.27 +/- 0.43   0.000% *  0.0334% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.691, support = 3.07, residual support = 42.9:
    * O T HA    GLN   32 - QB    GLN   32   2.35 +/- 0.12  90.640% * 34.8208% (0.69   2.96  44.89) =  93.653%  kept
        T HA    LYS+  33 - QB    GLN   32   4.22 +/- 0.29   3.356% * 63.1846% (0.76   4.82  14.34) =   6.292%  kept
        T HA    GLU-  29 - QB    GLN   32   3.74 +/- 0.19   5.997% *  0.3075% (0.90   0.02   0.02) =   0.055%
          HA    VAL   70 - QB    GLN   32  12.63 +/- 0.37   0.004% *  0.1537% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    GLN   32  14.51 +/- 0.44   0.002% *  0.3165% (0.92   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  20.75 +/- 0.91   0.000% *  0.3309% (0.97   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  22.28 +/- 0.47   0.000% *  0.3165% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  26.16 +/- 0.82   0.000% *  0.2490% (0.73   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  26.65 +/- 0.55   0.000% *  0.1669% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  26.91 +/- 0.36   0.000% *  0.1537% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.22, residual support = 44.9:
    * O T QG    GLN   32 - QB    GLN   32   2.11 +/- 0.02  99.996% * 98.5326% (1.00   3.22  44.89) = 100.000%  kept
          QG    GLU-  79 - QB    GLN   32  14.20 +/- 0.38   0.001% *  0.5314% (0.87   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  12.78 +/- 1.03   0.002% *  0.1703% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.65 +/- 0.63   0.000% *  0.3716% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  17.89 +/- 0.40   0.000% *  0.1364% (0.22   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  24.45 +/- 0.34   0.000% *  0.1364% (0.22   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  28.53 +/- 0.44   0.000% *  0.1212% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 0.703, support = 3.36, residual support = 38.5:
    * O T HA    GLN   32 - QG    GLN   32   2.50 +/- 0.23  83.891% * 38.0738% (0.69   3.09  44.89) =  79.075%  kept
        T HA    LYS+  33 - QG    GLN   32   4.08 +/- 1.01  14.114% * 59.8392% (0.76   4.37  14.34) =  20.909%  kept
        T HA    GLU-  29 - QG    GLN   32   5.09 +/- 0.73   1.988% *  0.3217% (0.90   0.02   0.02) =   0.016%
          HA    VAL   70 - QG    GLN   32  12.73 +/- 0.46   0.006% *  0.1608% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  15.23 +/- 0.53   0.002% *  0.3312% (0.92   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  21.86 +/- 1.55   0.000% *  0.3462% (0.97   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  23.41 +/- 1.00   0.000% *  0.3312% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  27.24 +/- 1.66   0.000% *  0.2605% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.64 +/- 1.10   0.000% *  0.1746% (0.49   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  27.34 +/- 0.54   0.000% *  0.1608% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.22, residual support = 44.9:
    * O T QB    GLN   32 - QG    GLN   32   2.11 +/- 0.02  99.993% * 98.0102% (1.00   3.22  44.89) = 100.000%  kept
          HG3   GLU- 100 - QG    GLN   32  11.93 +/- 0.94   0.004% *  0.4880% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - QG    GLN   32  13.42 +/- 1.17   0.002% *  0.6040% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  18.20 +/- 0.71   0.000% *  0.5626% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  15.08 +/- 1.37   0.001% *  0.0940% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  26.95 +/- 0.56   0.000% *  0.1206% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  27.73 +/- 1.16   0.000% *  0.1206% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 1.0, support = 6.54, residual support = 157.6:
    * O T QB    LYS+  33 - HA    LYS+  33   2.35 +/- 0.16  98.103% * 95.9653% (1.00   6.54 157.63) =  99.999%  kept
        T QB    LYS+  33 - HA    GLN   32   5.28 +/- 0.13   0.811% *  0.0755% (0.26   0.02  14.34) =   0.001%
        T QB    LYS+  33 - HA    GLU-  29   5.84 +/- 0.67   0.498% *  0.0820% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.33 +/- 0.17   0.113% *  0.0732% (0.25   0.02   0.10) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   6.09 +/- 0.11   0.343% *  0.0204% (0.07   0.02  26.05) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.96 +/- 0.49   0.019% *  0.1207% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.62 +/- 0.10   0.089% *  0.0188% (0.06   0.02   1.05) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.17 +/- 0.38   0.016% *  0.0310% (0.11   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  17.45 +/- 0.56   0.001% *  0.2710% (0.92   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.41 +/- 0.66   0.000% *  0.2777% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  18.64 +/- 0.56   0.000% *  0.2777% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  19.52 +/- 0.41   0.000% *  0.2878% (0.98   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  15.61 +/- 0.87   0.001% *  0.0714% (0.24   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  16.36 +/- 0.72   0.001% *  0.0714% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.90 +/- 0.56   0.001% *  0.0337% (0.11   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  18.27 +/- 0.52   0.000% *  0.0740% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.10 +/- 0.57   0.000% *  0.0775% (0.26   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  19.62 +/- 0.38   0.000% *  0.0791% (0.27   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  20.01 +/- 0.71   0.000% *  0.0775% (0.26   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  24.89 +/- 0.40   0.000% *  0.2833% (0.97   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  20.39 +/- 0.49   0.000% *  0.0697% (0.24   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  21.61 +/- 0.39   0.000% *  0.0803% (0.27   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  22.35 +/- 0.46   0.000% *  0.0757% (0.26   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  22.98 +/- 0.49   0.000% *  0.0729% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  26.82 +/- 0.40   0.000% *  0.1662% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  29.52 +/- 0.67   0.000% *  0.2833% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  31.40 +/- 0.46   0.000% *  0.2910% (0.99   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  26.15 +/- 0.79   0.000% *  0.0732% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  27.34 +/- 0.41   0.000% *  0.0812% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  27.98 +/- 0.79   0.000% *  0.0791% (0.27   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.38 +/- 0.37   0.000% *  0.0464% (0.16   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.10 +/- 0.54   0.000% *  0.0427% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  26.43 +/- 1.60   0.000% *  0.0453% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  29.19 +/- 0.61   0.000% *  0.0748% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  29.56 +/- 0.60   0.000% *  0.0729% (0.25   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  30.84 +/- 0.80   0.000% *  0.0732% (0.25   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  23.62 +/- 2.02   0.000% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  24.12 +/- 1.73   0.000% *  0.0116% (0.04   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  27.00 +/- 0.71   0.000% *  0.0188% (0.06   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.28 +/- 0.72   0.000% *  0.0204% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  29.60 +/- 0.73   0.000% *  0.0204% (0.07   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  29.79 +/- 0.85   0.000% *  0.0188% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 1.0, support = 6.31, residual support = 157.6:
    * O T HG3   LYS+  33 - HA    LYS+  33   2.74 +/- 0.42  97.701% * 95.9898% (1.00   6.31 157.63) =  99.998%  kept
        T HG3   LYS+  33 - HA    GLN   32   6.28 +/- 0.73   1.045% *  0.0783% (0.26   0.02  14.34) =   0.001%
        T HG3   LYS+  33 - HA    GLU-  29   7.10 +/- 1.43   0.859% *  0.0850% (0.28   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+  33  13.69 +/- 2.95   0.034% *  0.2437% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  12.06 +/- 0.36   0.019% *  0.2938% (0.97   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.35 +/- 0.62   0.027% *  0.1602% (0.53   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32   9.17 +/- 0.75   0.103% *  0.0412% (0.14   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  10.60 +/- 0.26   0.038% *  0.0820% (0.27   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  13.85 +/- 0.50   0.008% *  0.3017% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  11.23 +/- 0.24   0.028% *  0.0755% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  16.23 +/- 3.37   0.015% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  13.21 +/- 1.20   0.014% *  0.0470% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  33  17.24 +/- 1.34   0.002% *  0.2880% (0.95   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  13.95 +/- 0.48   0.008% *  0.0776% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  10.95 +/- 1.07   0.043% *  0.0121% (0.04   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  13.04 +/- 0.53   0.011% *  0.0447% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  14.68 +/- 1.38   0.006% *  0.0741% (0.24   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.62 +/- 0.42   0.004% *  0.0842% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.36 +/- 3.06   0.005% *  0.0627% (0.21   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  20.25 +/- 0.81   0.001% *  0.3017% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.36 +/- 0.38   0.003% *  0.0846% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.08 +/- 0.56   0.001% *  0.2437% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  14.27 +/- 0.41   0.006% *  0.0236% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  18.74 +/- 0.82   0.001% *  0.0627% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.75 +/- 1.01   0.006% *  0.0131% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  20.38 +/- 1.33   0.001% *  0.0804% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  16.56 +/- 0.37   0.003% *  0.0218% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  22.48 +/- 0.93   0.000% *  0.0842% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  22.40 +/- 0.74   0.000% *  0.0776% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  22.13 +/- 0.43   0.000% *  0.0678% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  23.17 +/- 1.60   0.000% *  0.0759% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  17.87 +/- 0.51   0.002% *  0.0189% (0.06   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  22.40 +/- 0.65   0.000% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  17.35 +/- 0.40   0.002% *  0.0131% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  23.00 +/- 0.59   0.000% *  0.0470% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.01 +/- 0.85   0.000% *  0.0759% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  20.01 +/- 0.51   0.001% *  0.0174% (0.06   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  32.17 +/- 0.46   0.000% *  0.2730% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  20.30 +/- 0.68   0.001% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  22.45 +/- 1.67   0.000% *  0.0195% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  23.69 +/- 0.85   0.000% *  0.0212% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  23.69 +/- 0.91   0.000% *  0.0195% (0.06   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  31.26 +/- 0.58   0.000% *  0.0702% (0.23   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  26.27 +/- 1.32   0.000% *  0.0212% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.29 +/- 0.44   0.000% *  0.0762% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 157.6:
    *   T QD    LYS+  33 - HA    LYS+  33   3.23 +/- 0.67  97.795% * 97.6999% (1.00   5.06 157.63) =  99.998%  kept
        T QD    LYS+  33 - HA    GLU-  29   7.34 +/- 0.70   1.127% *  0.1078% (0.28   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HA    GLN   32   7.11 +/- 0.57   1.053% *  0.0993% (0.26   0.02  14.34) =   0.001%
          HD2   LYS+  74 - HA    LYS+  33  18.45 +/- 0.42   0.004% *  0.2186% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  21.50 +/- 0.43   0.002% *  0.3349% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  16.57 +/- 0.32   0.008% *  0.0610% (0.16   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.05 +/- 0.43   0.005% *  0.0562% (0.15   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  20.91 +/- 0.54   0.002% *  0.0935% (0.24   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  27.11 +/- 0.65   0.000% *  0.3861% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  21.72 +/- 0.40   0.002% *  0.0861% (0.22   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  31.31 +/- 0.93   0.000% *  0.3463% (0.90   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  28.08 +/- 0.45   0.000% *  0.0993% (0.26   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  29.39 +/- 1.22   0.000% *  0.0891% (0.23   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  31.05 +/- 0.56   0.000% *  0.1078% (0.28   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  31.21 +/- 0.83   0.000% *  0.0967% (0.25   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  30.29 +/- 0.90   0.000% *  0.0764% (0.20   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  28.85 +/- 0.86   0.000% *  0.0213% (0.06   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  30.40 +/- 0.82   0.000% *  0.0197% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 5.24, residual support = 135.9:
    *   T QE    LYS+  33 - HA    LYS+  33   3.61 +/- 0.78  17.002% * 94.4942% (1.00   5.74 157.63) =  85.466%  kept
        T HB2   ASN   35 - HA    GLN   32   2.38 +/- 0.40  81.013% *  3.3701% (0.09   2.33   8.38) =  14.524%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.96 +/- 0.02   1.158% *  0.0901% (0.27   0.02  32.51) =   0.006%
        T HB2   ASN   35 - HA    LYS+  33   5.72 +/- 0.23   0.444% *  0.1123% (0.34   0.02   0.37) =   0.003%
        T QE    LYS+  33 - HA    GLU-  29   7.61 +/- 1.16   0.137% *  0.0919% (0.28   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    GLN   32   7.21 +/- 0.91   0.145% *  0.0847% (0.26   0.02  14.34) =   0.001%
        T HB2   ASN   28 - HA    GLN   32   8.48 +/- 0.26   0.047% *  0.0830% (0.25   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  33  11.15 +/- 0.20   0.009% *  0.3228% (0.98   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  29   8.54 +/- 0.47   0.038% *  0.0314% (0.10   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  13.62 +/- 0.91   0.003% *  0.0508% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  19.34 +/- 1.37   0.000% *  0.2954% (0.90   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  21.16 +/- 1.46   0.000% *  0.0825% (0.25   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  16.92 +/- 0.43   0.001% *  0.0205% (0.06   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  21.38 +/- 1.17   0.000% *  0.0760% (0.23   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  21.38 +/- 0.53   0.000% *  0.0733% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.71 +/- 0.45   0.000% *  0.2131% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  20.91 +/- 0.45   0.000% *  0.0595% (0.18   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  16.50 +/- 0.84   0.001% *  0.0131% (0.04   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  23.55 +/- 0.79   0.000% *  0.0632% (0.19   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  29.10 +/- 0.86   0.000% *  0.2262% (0.69   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.41 +/- 0.65   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  20.25 +/- 0.48   0.000% *  0.0189% (0.06   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.22 +/- 0.36   0.000% *  0.0548% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  25.72 +/- 1.05   0.000% *  0.0582% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.54, residual support = 157.6:
    * O T HA    LYS+  33 - QB    LYS+  33   2.35 +/- 0.16  97.752% * 98.1880% (1.00   6.54 157.63) =  99.997%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.84 +/- 0.67   0.495% *  0.2899% (0.97   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  33   5.28 +/- 0.13   0.807% *  0.0835% (0.28   0.02  14.34) =   0.001%
          HB2   SER   37 - QB    LYS+  33   5.73 +/- 0.88   0.882% *  0.0669% (0.22   0.02   0.02) =   0.001%
          HA    VAL   70 - QB    LYS+  33   8.74 +/- 0.76   0.049% *  0.2606% (0.87   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  10.69 +/- 0.43   0.013% *  0.2841% (0.95   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  22.55 +/- 0.74   0.000% *  0.2694% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  20.80 +/- 0.56   0.000% *  0.1580% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  24.34 +/- 0.64   0.000% *  0.2606% (0.87   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  27.18 +/- 0.85   0.000% *  0.0927% (0.31   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  25.22 +/- 0.69   0.000% *  0.0463% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 6.23, residual support = 157.6:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.49 +/- 0.11  99.764% * 97.4265% (1.00   6.23 157.63) =  99.999%  kept
          QB    ALA   12 - QB    LYS+  33  11.33 +/- 2.64   0.125% *  0.2505% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33   8.97 +/- 0.38   0.047% *  0.3019% (0.97   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  10.93 +/- 0.61   0.015% *  0.3101% (0.99   0.02   0.02) =   0.000%
        T QB    LEU   98 - QB    LYS+  33  10.00 +/- 0.54   0.026% *  0.1646% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  12.46 +/- 0.39   0.007% *  0.0870% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  11.43 +/- 0.96   0.012% *  0.0483% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  16.14 +/- 1.10   0.002% *  0.2960% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  16.27 +/- 0.93   0.001% *  0.3101% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.39 +/- 0.51   0.001% *  0.2505% (0.80   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  18.52 +/- 0.49   0.001% *  0.0697% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  20.11 +/- 1.36   0.000% *  0.0780% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  20.69 +/- 0.90   0.000% *  0.0780% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  19.20 +/- 0.64   0.000% *  0.0483% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  27.22 +/- 0.55   0.000% *  0.2806% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.09, residual support = 157.6:
    * O T QD    LYS+  33 - QB    LYS+  33   2.29 +/- 0.24  99.997% * 98.6330% (1.00   5.09 157.63) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  14.47 +/- 0.44   0.002% *  0.2193% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  17.52 +/- 0.54   0.001% *  0.3361% (0.87   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  23.24 +/- 0.94   0.000% *  0.3874% (1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  26.83 +/- 0.79   0.000% *  0.3475% (0.90   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  24.95 +/- 0.94   0.000% *  0.0767% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 1.0, support = 5.67, residual support = 157.6:
    *   T QE    LYS+  33 - QB    LYS+  33   2.58 +/- 0.70  98.592% * 98.6322% (1.00   5.67 157.63) =  99.998%  kept
          HB2   ASN   35 - QB    LYS+  33   6.20 +/- 0.36   1.243% *  0.1188% (0.34   0.02   0.37) =   0.002%
          HB2   ASN   28 - QB    LYS+  33   9.10 +/- 0.49   0.120% *  0.3412% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  11.53 +/- 1.11   0.036% *  0.0537% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  15.60 +/- 1.43   0.005% *  0.3122% (0.90   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  17.16 +/- 0.61   0.002% *  0.0775% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.10 +/- 0.53   0.001% *  0.2252% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  24.92 +/- 0.78   0.000% *  0.2391% (0.69   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 = 1.0, support = 6.31, residual support = 157.6:
    * O T HA    LYS+  33 - HG3   LYS+  33   2.74 +/- 0.42  92.021% * 94.0169% (1.00   6.31 157.63) =  99.990%  kept
          HB2   SER   37 - HG3   LYS+  33   6.33 +/- 1.66   5.605% *  0.0664% (0.22   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+  33   7.10 +/- 1.43   0.842% *  0.2877% (0.97   0.02   0.02) =   0.003%
          HA    VAL   18 - HG3   LYS+  65   7.69 +/- 0.94   0.374% *  0.2436% (0.82   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+  33   6.28 +/- 0.73   1.005% *  0.0829% (0.28   0.02  14.34) =   0.001%
          HA    VAL   70 - HG3   LYS+  33  10.36 +/- 1.62   0.081% *  0.2586% (0.87   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  11.79 +/- 0.54   0.020% *  0.2233% (0.75   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  12.85 +/- 1.14   0.015% *  0.2820% (0.95   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  14.88 +/- 0.42   0.005% *  0.1643% (0.55   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  16.13 +/- 0.66   0.003% *  0.2233% (0.75   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  15.87 +/- 0.35   0.003% *  0.1643% (0.55   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.69 +/- 0.70   0.003% *  0.1285% (0.43   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  17.24 +/- 1.34   0.002% *  0.1481% (0.50   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.68 +/- 1.38   0.006% *  0.0412% (0.14   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  18.48 +/- 0.30   0.001% *  0.1792% (0.60   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  20.25 +/- 0.81   0.001% *  0.2575% (0.86   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  18.82 +/- 1.60   0.001% *  0.1355% (0.45   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  15.77 +/- 1.71   0.004% *  0.0330% (0.11   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.08 +/- 0.56   0.001% *  0.1895% (0.64   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  20.38 +/- 1.33   0.001% *  0.1429% (0.48   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  22.48 +/- 0.93   0.000% *  0.2485% (0.83   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  18.75 +/- 1.02   0.001% *  0.0573% (0.19   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  22.40 +/- 0.65   0.000% *  0.1828% (0.61   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  18.74 +/- 0.82   0.001% *  0.0527% (0.18   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.77 +/- 0.78   0.000% *  0.1401% (0.47   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  26.13 +/- 1.15   0.000% *  0.2674% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.39 +/- 0.87   0.000% *  0.1569% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  23.49 +/- 1.15   0.000% *  0.1285% (0.43   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.18 +/- 0.74   0.001% *  0.0422% (0.14   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  22.40 +/- 0.74   0.000% *  0.0716% (0.24   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  28.16 +/- 1.35   0.000% *  0.2586% (0.87   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  23.60 +/- 0.32   0.000% *  0.0997% (0.33   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.68 +/- 1.13   0.001% *  0.0397% (0.13   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  26.77 +/- 1.87   0.000% *  0.1699% (0.57   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  21.21 +/- 0.50   0.001% *  0.0292% (0.10   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  24.78 +/- 0.60   0.000% *  0.0585% (0.20   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  31.16 +/- 1.11   0.000% *  0.2309% (0.77   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  30.66 +/- 2.29   0.000% *  0.1328% (0.45   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  31.49 +/- 1.04   0.000% *  0.0920% (0.31   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.48 +/- 0.81   0.000% *  0.0779% (0.26   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  31.44 +/- 1.02   0.000% *  0.0795% (0.27   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.37 +/- 1.00   0.000% *  0.0460% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  31.69 +/- 1.10   0.000% *  0.0457% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  30.33 +/- 1.22   0.000% *  0.0229% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.841, support = 6.07, residual support = 147.1:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.49 +/- 0.11  44.718% * 60.6116% (1.00   6.23 157.63) =  60.127%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.42 +/- 0.08  52.695% * 34.1045% (0.60   5.83 131.31) =  39.867%  kept
          HB    ILE  103 - HG3   LYS+ 106   4.53 +/- 0.33   1.319% *  0.1170% (0.60   0.02   0.11) =   0.003%
          HB3   ASP- 105 - HG3   LYS+ 106   5.08 +/- 0.24   0.634% *  0.1212% (0.62   0.02  20.35) =   0.002%
          HB    ILE  103 - HG3   LYS+ 102   6.52 +/- 0.84   0.376% *  0.0915% (0.47   0.02  22.37) =   0.001%
          HB3   GLN   30 - HG3   LYS+  33   6.45 +/- 0.57   0.171% *  0.0485% (0.25   0.02   0.10) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65   8.84 +/- 1.14   0.034% *  0.1552% (0.80   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  10.65 +/- 0.91   0.009% *  0.0915% (0.47   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  10.10 +/- 2.44   0.019% *  0.0397% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  11.21 +/- 1.45   0.009% *  0.0800% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.36 +/- 0.97   0.004% *  0.0948% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  15.80 +/- 1.52   0.001% *  0.1622% (0.83   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  12.93 +/- 1.13   0.003% *  0.0419% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  16.59 +/- 1.41   0.001% *  0.1797% (0.92   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  16.27 +/- 0.93   0.001% *  0.1681% (0.86   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  15.52 +/- 0.91   0.001% *  0.0952% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  16.86 +/- 0.44   0.000% *  0.1648% (0.85   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  16.14 +/- 1.10   0.001% *  0.0967% (0.50   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.64 +/- 0.28   0.001% *  0.0700% (0.36   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  18.90 +/- 1.10   0.000% *  0.1841% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  19.18 +/- 1.27   0.000% *  0.1841% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.58 +/- 1.29   0.000% *  0.1908% (0.98   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  19.07 +/- 0.44   0.000% *  0.1590% (0.82   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.39 +/- 0.51   0.000% *  0.1237% (0.64   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  16.52 +/- 0.98   0.001% *  0.0508% (0.26   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  16.63 +/- 0.93   0.001% *  0.0419% (0.22   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  15.65 +/- 0.25   0.001% *  0.0191% (0.10   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  17.19 +/- 0.46   0.000% *  0.0308% (0.16   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  21.33 +/- 1.85   0.000% *  0.0691% (0.36   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  21.66 +/- 0.46   0.000% *  0.1142% (0.59   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.10 +/- 0.33   0.000% *  0.1590% (0.82   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  24.14 +/- 0.77   0.000% *  0.1878% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  23.01 +/- 0.48   0.000% *  0.1226% (0.63   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  18.65 +/- 0.54   0.000% *  0.0308% (0.16   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.92 +/- 1.12   0.000% *  0.0419% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  22.54 +/- 0.72   0.000% *  0.0893% (0.46   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  24.06 +/- 1.28   0.000% *  0.1194% (0.61   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  23.84 +/- 0.47   0.000% *  0.1194% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  18.60 +/- 1.05   0.000% *  0.0241% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  25.67 +/- 1.41   0.000% *  0.1622% (0.83   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.64 +/- 0.70   0.000% *  0.0308% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  27.21 +/- 1.65   0.000% *  0.1666% (0.86   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  28.19 +/- 0.93   0.000% *  0.1878% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  25.99 +/- 0.97   0.000% *  0.1102% (0.57   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  24.95 +/- 1.11   0.000% *  0.0547% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  30.67 +/- 0.71   0.000% *  0.1929% (0.99   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.60 +/- 1.69   0.000% *  0.0485% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  22.75 +/- 1.14   0.000% *  0.0241% (0.12   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  22.89 +/- 0.93   0.000% *  0.0259% (0.13   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  28.79 +/- 1.36   0.000% *  0.0933% (0.48   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  25.96 +/- 1.92   0.000% *  0.0300% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  31.12 +/- 1.07   0.000% *  0.0958% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  32.11 +/- 0.98   0.000% *  0.0933% (0.48   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.09 +/- 1.04   0.000% *  0.0149% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.94 +/- 1.06   0.000% *  0.0485% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.27 +/- 1.47   0.000% *  0.0241% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 4.53, residual support = 157.6:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.36 +/- 0.15  99.954% * 94.7459% (1.00   4.53 157.63) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  65   9.68 +/- 1.01   0.027% *  0.3132% (0.75   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 106  12.79 +/- 1.05   0.005% *  0.2383% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  13.07 +/- 1.36   0.004% *  0.2044% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  14.67 +/- 0.96   0.002% *  0.3611% (0.86   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  16.23 +/- 1.28   0.001% *  0.3611% (0.86   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  17.33 +/- 0.78   0.001% *  0.2367% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  17.07 +/- 0.30   0.001% *  0.2305% (0.55   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  18.29 +/- 0.37   0.001% *  0.2657% (0.64   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  17.75 +/- 1.06   0.001% *  0.2077% (0.50   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.06 +/- 0.41   0.001% *  0.1504% (0.36   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  20.44 +/- 0.76   0.000% *  0.3627% (0.87   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  16.04 +/- 1.65   0.001% *  0.0715% (0.17   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  20.17 +/- 0.85   0.000% *  0.2657% (0.64   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  24.07 +/- 0.63   0.000% *  0.3238% (0.77   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  23.07 +/- 1.11   0.000% *  0.2077% (0.50   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  23.15 +/- 1.57   0.000% *  0.1863% (0.45   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  26.67 +/- 1.59   0.000% *  0.4181% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.57 +/- 0.81   0.000% *  0.1802% (0.43   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.92 +/- 0.84   0.000% *  0.1176% (0.28   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.09 +/- 1.38   0.000% *  0.3750% (0.90   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  24.51 +/- 0.71   0.000% *  0.0526% (0.13   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  28.94 +/- 1.08   0.000% *  0.0827% (0.20   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  32.85 +/- 1.06   0.000% *  0.0411% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.897, support = 4.83, residual support = 159.0:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.79 +/- 0.53  42.690% * 59.6311% (1.00   5.28 157.63) =  54.328%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.62 +/- 0.56  57.164% * 37.4371% (0.77   4.28 160.53) =  45.672%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.31 +/- 0.50   0.113% *  0.0770% (0.34   0.02   0.37) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  11.07 +/- 1.11   0.011% *  0.2212% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.56 +/- 1.38   0.007% *  0.0382% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  15.93 +/- 1.70   0.001% *  0.1949% (0.86   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  12.37 +/- 1.05   0.005% *  0.0301% (0.13   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.07 +/- 1.70   0.001% *  0.2024% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  13.18 +/- 1.69   0.004% *  0.0348% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.57 +/- 1.42   0.001% *  0.1121% (0.50   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.94 +/- 1.12   0.000% *  0.1434% (0.64   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.90 +/- 1.43   0.000% *  0.1099% (0.49   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  17.11 +/- 0.84   0.001% *  0.0489% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.43 +/- 0.74   0.000% *  0.1406% (0.62   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.89 +/- 0.66   0.000% *  0.1286% (0.57   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  23.35 +/- 0.88   0.000% *  0.1910% (0.85   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  23.21 +/- 1.49   0.000% *  0.1261% (0.56   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  19.75 +/- 1.33   0.000% *  0.0434% (0.19   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  20.29 +/- 0.60   0.000% *  0.0502% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  24.69 +/- 0.69   0.000% *  0.1460% (0.65   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.11 +/- 0.92   0.000% *  0.0665% (0.29   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  24.50 +/- 1.81   0.000% *  0.0985% (0.44   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.75 +/- 0.83   0.000% *  0.1005% (0.45   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  23.91 +/- 0.45   0.000% *  0.0928% (0.41   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.74 +/- 0.66   0.000% *  0.0173% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.84 +/- 0.72   0.000% *  0.0221% (0.10   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  21.73 +/- 0.46   0.000% *  0.0319% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  28.86 +/- 1.19   0.000% *  0.1550% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  29.37 +/- 1.95   0.000% *  0.0770% (0.34   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  32.88 +/- 1.06   0.000% *  0.1339% (0.59   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  30.12 +/- 0.91   0.000% *  0.0725% (0.32   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  27.10 +/- 0.95   0.000% *  0.0250% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 1.0, support = 5.06, residual support = 157.6:
    *   T HA    LYS+  33 - QD    LYS+  33   3.23 +/- 0.67  92.003% * 95.3521% (1.00   5.06 157.63) =  99.987%  kept
          HB2   SER   37 - QD    LYS+  33   5.81 +/- 0.92   5.266% *  0.0839% (0.22   0.02   0.02) =   0.005%
        T HA    GLU-  29 - QD    LYS+  33   7.34 +/- 0.70   1.004% *  0.3637% (0.97   0.02   0.02) =   0.004%
          HA    VAL   70 - QD    LYS+  33   9.20 +/- 1.09   0.477% *  0.3269% (0.87   0.02   0.02) =   0.002%
        T HA    GLN   32 - QD    LYS+  33   7.11 +/- 0.57   0.968% *  0.1048% (0.28   0.02  14.34) =   0.001%
          HA    VAL   18 - QD    LYS+  33  11.10 +/- 1.41   0.170% *  0.3565% (0.95   0.02   0.02) =   0.001%
          HA    GLN  116 - HD3   LYS+ 111  11.12 +/- 0.19   0.087% *  0.2929% (0.78   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.77 +/- 0.55   0.015% *  0.0521% (0.14   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  21.88 +/- 1.41   0.002% *  0.1983% (0.53   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  23.21 +/- 0.59   0.001% *  0.3194% (0.85   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  24.15 +/- 0.84   0.001% *  0.3379% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  21.72 +/- 0.55   0.001% *  0.1777% (0.47   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  25.37 +/- 1.09   0.001% *  0.3269% (0.87   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.48 +/- 0.74   0.001% *  0.2929% (0.78   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.93 +/- 0.81   0.002% *  0.1042% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  28.46 +/- 1.40   0.000% *  0.3028% (0.80   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  31.31 +/- 0.93   0.000% *  0.3377% (0.90   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  31.21 +/- 0.83   0.000% *  0.3259% (0.86   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  28.94 +/- 0.74   0.000% *  0.1163% (0.31   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.53 +/- 1.37   0.001% *  0.0581% (0.15   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  29.39 +/- 1.22   0.000% *  0.0939% (0.25   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  30.77 +/- 1.10   0.000% *  0.0752% (0.20   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 = 1.0, support = 5.09, residual support = 157.6:
    * O T QB    LYS+  33 - QD    LYS+  33   2.29 +/- 0.24  99.671% * 93.6729% (1.00   5.09 157.63) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   6.33 +/- 0.82   0.261% *  0.0918% (0.25   0.02   0.10) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  10.41 +/- 0.93   0.016% *  0.3119% (0.85   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  10.54 +/- 0.18   0.012% *  0.1867% (0.51   0.02   1.21) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.79 +/- 0.78   0.012% *  0.1513% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  13.35 +/- 0.96   0.003% *  0.3232% (0.88   0.02   0.02) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  14.11 +/- 1.02   0.002% *  0.3397% (0.92   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  12.57 +/- 2.01   0.012% *  0.0509% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  11.90 +/- 0.70   0.006% *  0.0822% (0.22   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  17.13 +/- 1.14   0.001% *  0.3119% (0.85   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.77 +/- 0.82   0.001% *  0.3481% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.18 +/- 0.93   0.000% *  0.3607% (0.98   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  18.28 +/- 0.78   0.000% *  0.3481% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  18.31 +/- 0.61   0.000% *  0.3268% (0.89   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  18.92 +/- 0.82   0.000% *  0.3182% (0.86   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  22.09 +/- 0.88   0.000% *  0.3551% (0.97   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.33 +/- 0.70   0.000% *  0.0822% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  23.82 +/- 1.21   0.000% *  0.3182% (0.86   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  25.10 +/- 1.15   0.000% *  0.3551% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  23.49 +/- 1.13   0.000% *  0.2083% (0.57   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  26.83 +/- 0.79   0.000% *  0.3297% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  28.00 +/- 1.09   0.000% *  0.3647% (0.99   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  27.71 +/- 0.63   0.000% *  0.3044% (0.83   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  22.80 +/- 1.25   0.000% *  0.0918% (0.25   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  23.88 +/- 1.89   0.000% *  0.0568% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  28.35 +/- 1.18   0.000% *  0.1356% (0.37   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  26.66 +/- 0.73   0.000% *  0.0822% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  27.04 +/- 1.30   0.000% *  0.0918% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 1.0, support = 4.53, residual support = 157.6:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.36 +/- 0.15  98.911% * 93.2152% (1.00   4.53 157.63) =  99.996%  kept
          QB    ALA   12 - QD    LYS+  33   9.82 +/- 2.58   0.934% *  0.3294% (0.80   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HD3   LYS+ 111   7.73 +/- 0.22   0.086% *  0.3306% (0.80   0.02  25.73) =   0.000%
          HB3   LEU   73 - QD    LYS+  33  10.68 +/- 1.07   0.017% *  0.3970% (0.97   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  12.13 +/- 1.21   0.008% *  0.4077% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.70 +/- 0.70   0.008% *  0.2164% (0.53   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  12.79 +/- 1.05   0.005% *  0.2952% (0.72   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.68 +/- 0.77   0.014% *  0.0919% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.41 +/- 1.19   0.004% *  0.1144% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  16.23 +/- 1.28   0.001% *  0.4077% (0.99   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.32 +/- 1.28   0.004% *  0.0635% (0.15   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  14.21 +/- 1.26   0.003% *  0.0919% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  17.75 +/- 1.06   0.001% *  0.3891% (0.95   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  18.86 +/- 0.88   0.000% *  0.3654% (0.89   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  17.83 +/- 0.89   0.001% *  0.1939% (0.47   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  20.17 +/- 0.85   0.000% *  0.3294% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  21.53 +/- 0.66   0.000% *  0.3558% (0.86   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.10 +/- 0.94   0.001% *  0.0821% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  23.15 +/- 1.57   0.000% *  0.3487% (0.85   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  24.07 +/- 0.63   0.000% *  0.3654% (0.89   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  19.94 +/- 0.55   0.000% *  0.0916% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  21.32 +/- 1.69   0.000% *  0.1026% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  19.15 +/- 1.75   0.000% *  0.0569% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.17 +/- 1.17   0.000% *  0.1026% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  22.39 +/- 0.41   0.000% *  0.1025% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  20.94 +/- 0.93   0.000% *  0.0635% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  28.48 +/- 1.21   0.000% *  0.3689% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.09 +/- 1.38   0.000% *  0.3686% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.10 +/- 1.27   0.000% *  0.0569% (0.14   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  32.45 +/- 1.85   0.000% *  0.2952% (0.72   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 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 = 4.28, residual support = 157.6:
    * O T QE    LYS+  33 - QD    LYS+  33   2.11 +/- 0.03  99.952% * 96.2473% (1.00   4.28 157.63) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  33   7.97 +/- 0.43   0.036% *  0.1534% (0.34   0.02   0.37) =   0.000%
          HB2   ASN   28 - QD    LYS+  33  11.00 +/- 0.59   0.005% *  0.4407% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  11.28 +/- 1.10   0.005% *  0.0694% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  15.47 +/- 1.67   0.001% *  0.4033% (0.90   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.53 +/- 1.01   0.000% *  0.3614% (0.80   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  18.46 +/- 1.03   0.000% *  0.1001% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  22.44 +/- 1.11   0.000% *  0.2909% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  22.97 +/- 0.56   0.000% *  0.2607% (0.58   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  25.03 +/- 1.75   0.000% *  0.2768% (0.62   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  26.78 +/- 0.67   0.000% *  0.3089% (0.69   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.19 +/- 1.41   0.000% *  0.4029% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  28.36 +/- 0.86   0.000% *  0.3950% (0.88   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  22.79 +/- 0.48   0.000% *  0.0897% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  28.25 +/- 1.40   0.000% *  0.1374% (0.31   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  28.05 +/- 0.92   0.000% *  0.0622% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 1.0, support = 5.74, residual support = 157.6:
    *   T HA    LYS+  33 - QE    LYS+  33   3.61 +/- 0.78  71.255% * 96.4059% (1.00   5.74 157.63) =  99.961%  kept
          HB2   SER   37 - QE    LYS+  33   5.62 +/- 1.59  17.115% *  0.0748% (0.22   0.02   0.02) =   0.019%
        T HA    GLU-  29 - QE    LYS+  33   7.61 +/- 1.16   1.994% *  0.3243% (0.97   0.02   0.02) =   0.009%
          HA    VAL   70 - QE    LYS+  33   8.88 +/- 1.50   0.749% *  0.2915% (0.87   0.02   0.02) =   0.003%
          HA    VAL   18 - QE    LYS+  65   8.07 +/- 1.25   1.160% *  0.1634% (0.49   0.02   0.02) =   0.003%
          HA    SER   48 - HB2   ASP-  76   6.05 +/- 0.79   5.807% *  0.0264% (0.08   0.02   0.02) =   0.002%
        T HA    GLN   32 - QE    LYS+  33   7.21 +/- 0.91   1.376% *  0.0934% (0.28   0.02  14.34) =   0.002%
          HA    VAL   18 - QE    LYS+  33  10.90 +/- 1.62   0.228% *  0.3178% (0.95   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  65  12.17 +/- 0.88   0.073% *  0.1498% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  12.07 +/- 0.67   0.073% *  0.0449% (0.13   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  15.28 +/- 1.20   0.016% *  0.1498% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  14.12 +/- 0.63   0.027% *  0.0474% (0.14   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  17.00 +/- 1.56   0.010% *  0.0909% (0.27   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  19.34 +/- 1.37   0.004% *  0.1727% (0.51   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  16.92 +/- 0.43   0.009% *  0.0484% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.11 +/- 1.01   0.028% *  0.0155% (0.05   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  21.16 +/- 1.46   0.003% *  0.1667% (0.50   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  21.81 +/- 1.42   0.002% *  0.1768% (0.53   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  24.22 +/- 1.31   0.001% *  0.3013% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  13.11 +/- 0.72   0.041% *  0.0077% (0.02   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  25.02 +/- 1.36   0.001% *  0.2915% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.14 +/- 1.08   0.007% *  0.0385% (0.11   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.79 +/- 1.09   0.005% *  0.0267% (0.08   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  21.38 +/- 0.53   0.002% *  0.0501% (0.15   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  21.38 +/- 1.17   0.002% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.90 +/- 0.45   0.003% *  0.0435% (0.13   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  28.50 +/- 1.24   0.000% *  0.1549% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  24.13 +/- 0.47   0.001% *  0.0435% (0.13   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  20.25 +/- 0.48   0.003% *  0.0139% (0.04   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  28.90 +/- 1.21   0.000% *  0.1037% (0.31   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.37 +/- 1.46   0.001% *  0.0518% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  28.72 +/- 0.95   0.000% *  0.0533% (0.16   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  24.44 +/- 0.91   0.001% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 157.6:
    *   T QB    LYS+  33 - QE    LYS+  33   2.58 +/- 0.70  98.464% * 94.9842% (1.00   5.67 157.63) =  99.999%  kept
          HB3   GLN   30 - QE    LYS+  33   6.35 +/- 1.18   0.701% *  0.0836% (0.25   0.02   0.10) =   0.001%
          HG3   PRO   68 - QE    LYS+  65   8.97 +/- 1.04   0.223% *  0.1591% (0.47   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.15 +/- 0.71   0.341% *  0.0483% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  10.59 +/- 1.19   0.078% *  0.1378% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  13.76 +/- 1.43   0.012% *  0.3095% (0.92   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  13.90 +/- 1.49   0.009% *  0.1663% (0.50   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  12.40 +/- 1.36   0.029% *  0.0496% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  12.52 +/- 1.38   0.026% *  0.0430% (0.13   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  15.60 +/- 1.43   0.005% *  0.1723% (0.51   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  14.56 +/- 1.06   0.007% *  0.0976% (0.29   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.58 +/- 1.03   0.002% *  0.3171% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  17.91 +/- 1.23   0.002% *  0.3286% (0.98   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.09 +/- 1.10   0.002% *  0.3171% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  16.68 +/- 0.73   0.003% *  0.1689% (0.50   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  11.77 +/- 2.24   0.054% *  0.0077% (0.02   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  14.41 +/- 0.82   0.007% *  0.0483% (0.14   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  18.41 +/- 0.62   0.002% *  0.1630% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  16.05 +/- 1.39   0.004% *  0.0430% (0.13   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  22.13 +/- 1.18   0.001% *  0.3236% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  17.42 +/- 0.49   0.003% *  0.0473% (0.14   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  15.85 +/- 0.44   0.004% *  0.0283% (0.08   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  17.16 +/- 0.61   0.002% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  14.13 +/- 0.52   0.008% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  20.66 +/- 1.50   0.001% *  0.0709% (0.21   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.30 +/- 0.65   0.001% *  0.1630% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  24.90 +/- 1.40   0.000% *  0.3236% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  18.19 +/- 1.14   0.002% *  0.0430% (0.13   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.24 +/- 1.39   0.000% *  0.1898% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  23.34 +/- 1.36   0.000% *  0.1663% (0.50   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.85 +/- 0.71   0.005% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  24.84 +/- 1.45   0.000% *  0.1708% (0.51   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  20.65 +/- 0.61   0.001% *  0.0490% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  22.41 +/- 1.69   0.001% *  0.0836% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  27.92 +/- 1.15   0.000% *  0.3323% (0.99   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  22.54 +/- 0.50   0.001% *  0.0473% (0.14   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  23.74 +/- 1.69   0.000% *  0.0517% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  21.34 +/- 0.89   0.001% *  0.0266% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.84 +/- 1.49   0.000% *  0.0836% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  25.54 +/- 0.73   0.000% *  0.0462% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  26.41 +/- 0.89   0.000% *  0.0206% (0.06   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.93 +/- 0.73   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.40 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 = 0.825, support = 4.93, residual support = 158.7:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.79 +/- 0.53  42.465% * 68.2409% (1.00   5.28 157.63) =  64.347%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.62 +/- 0.56  56.964% * 28.1861% (0.51   4.28 160.53) =  35.652%  kept
          QB    ALA   12 - QE    LYS+  33  10.01 +/- 2.68   0.180% *  0.2068% (0.80   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  33  10.57 +/- 1.18   0.016% *  0.2492% (0.97   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  11.87 +/- 1.44   0.009% *  0.2560% (0.99   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  11.56 +/- 0.66   0.011% *  0.1316% (0.51   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.26 +/- 0.64   0.158% *  0.0086% (0.03   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.57 +/- 1.00   0.009% *  0.1359% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.76 +/- 0.52   0.085% *  0.0107% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.73 +/- 0.89   0.015% *  0.0372% (0.14   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  15.93 +/- 1.70   0.001% *  0.2560% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  13.42 +/- 1.44   0.003% *  0.1063% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   8.37 +/- 0.30   0.052% *  0.0059% (0.02   0.02   0.64) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  14.60 +/- 1.01   0.002% *  0.1281% (0.50   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.32 +/- 1.46   0.004% *  0.0718% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  12.10 +/- 1.27   0.006% *  0.0369% (0.14   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.57 +/- 1.42   0.001% *  0.2443% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.10 +/- 1.33   0.005% *  0.0398% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  18.07 +/- 1.70   0.001% *  0.1328% (0.51   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  19.94 +/- 1.12   0.000% *  0.2068% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  18.49 +/- 1.39   0.001% *  0.1191% (0.46   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.25 +/- 0.62   0.001% *  0.0698% (0.27   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  15.72 +/- 0.40   0.001% *  0.0382% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  12.75 +/- 0.88   0.004% *  0.0096% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  16.25 +/- 0.98   0.001% *  0.0331% (0.13   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  20.89 +/- 0.66   0.000% *  0.1063% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.86 +/- 0.90   0.001% *  0.0331% (0.13   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  19.92 +/- 0.96   0.000% *  0.0575% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  20.96 +/- 2.15   0.000% *  0.0644% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  17.41 +/- 0.37   0.001% *  0.0203% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  19.75 +/- 1.33   0.000% *  0.0382% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  24.75 +/- 0.83   0.000% *  0.1256% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  21.94 +/- 1.56   0.000% *  0.0644% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  22.36 +/- 2.50   0.000% *  0.0308% (0.12   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  18.51 +/- 1.00   0.000% *  0.0205% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  20.29 +/- 0.60   0.000% *  0.0385% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  20.97 +/- 1.34   0.000% *  0.0398% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  28.19 +/- 1.37   0.000% *  0.2316% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  20.65 +/- 0.87   0.000% *  0.0296% (0.11   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  21.73 +/- 0.46   0.000% *  0.0308% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  22.09 +/- 0.59   0.000% *  0.0345% (0.13   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  18.45 +/- 1.37   0.001% *  0.0059% (0.02   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  27.10 +/- 0.95   0.000% *  0.0364% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  24.59 +/- 1.11   0.000% *  0.0205% (0.08   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  25.52 +/- 0.80   0.000% *  0.0096% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.69 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 = 4.28, residual support = 157.6:
    * O T QD    LYS+  33 - QE    LYS+  33   2.11 +/- 0.03  99.902% * 97.0389% (1.00   4.28 157.63) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.72 +/- 1.04   0.025% *  0.2022% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.48 +/- 0.76   0.060% *  0.0383% (0.08   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  12.56 +/- 1.32   0.003% *  0.1319% (0.29   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  14.02 +/- 1.24   0.001% *  0.2331% (0.51   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  11.54 +/- 0.59   0.004% *  0.0587% (0.13   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.54 +/- 1.42   0.001% *  0.2567% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  15.47 +/- 1.67   0.001% *  0.2331% (0.51   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  17.98 +/- 1.19   0.000% *  0.3932% (0.87   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.04 +/- 1.51   0.001% *  0.0461% (0.10   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  23.35 +/- 1.48   0.000% *  0.4533% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  18.46 +/- 1.03   0.000% *  0.0676% (0.15   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.53 +/- 1.01   0.000% *  0.2090% (0.46   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  15.32 +/- 0.70   0.001% *  0.0134% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.19 +/- 1.41   0.000% *  0.4066% (0.90   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  22.79 +/- 0.48   0.000% *  0.0606% (0.13   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  25.53 +/- 1.64   0.000% *  0.0897% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  29.28 +/- 0.73   0.000% *  0.0676% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.804, support = 1.93, residual support = 25.5:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.02  91.177% * 95.6714% (0.80   1.93  25.47) =  99.968%  kept
          QG2   THR   39 - HA    ALA   34   3.90 +/- 1.04   8.360% *  0.3069% (0.25   0.02   6.24) =   0.029%
          HG3   LYS+  38 - HA    ALA   34   6.84 +/- 0.89   0.461% *  0.5807% (0.47   0.02   0.02) =   0.003%
          QG2   THR   23 - HA    ALA   34  16.33 +/- 0.62   0.000% *  1.0940% (0.89   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  18.92 +/- 0.53   0.000% *  0.8015% (0.65   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.68 +/- 0.35   0.000% *  0.2457% (0.20   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  18.75 +/- 0.52   0.000% *  0.2272% (0.18   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  15.70 +/- 0.83   0.001% *  0.0704% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  18.41 +/- 0.30   0.000% *  0.1840% (0.15   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.81 +/- 0.64   0.000% *  0.3069% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  23.68 +/- 0.75   0.000% *  0.1333% (0.11   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  30.30 +/- 0.73   0.000% *  0.2511% (0.20   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  23.62 +/- 0.47   0.000% *  0.0564% (0.05   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  25.22 +/- 0.33   0.000% *  0.0704% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 25.5:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.02  99.701% * 94.3172% (0.80   1.93  25.47) =  99.998%  kept
          HA    ASN   28 - QB    ALA   34   6.91 +/- 0.26   0.088% *  1.0785% (0.89   0.02   0.02) =   0.001%
          HA1   GLY  101 - QB    ALA   34   7.28 +/- 1.29   0.103% *  0.7901% (0.65   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   34   6.73 +/- 0.08   0.099% *  0.1679% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34  10.38 +/- 0.30   0.008% *  0.2713% (0.22   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  16.46 +/- 0.48   0.000% *  1.0666% (0.88   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  18.75 +/- 0.52   0.000% *  0.6600% (0.54   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  19.78 +/- 0.32   0.000% *  0.7901% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.39 +/- 0.80   0.000% *  0.6160% (0.51   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  20.45 +/- 0.41   0.000% *  0.2423% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 54.4:
    * O T HB2   ASN   35 - HA    ASN   35   2.80 +/- 0.04  99.148% * 97.7527% (1.00   4.04  54.36) =  99.999%  kept
          QE    LYS+  33 - HA    ASN   35   8.40 +/- 0.64   0.159% *  0.1651% (0.34   0.02   0.37) =   0.000%
        T HB2   ASN   35 - HA    LEU   40   9.25 +/- 0.58   0.087% *  0.1815% (0.37   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15   8.04 +/- 1.81   0.432% *  0.0306% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15   9.79 +/- 1.42   0.080% *  0.0544% (0.11   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.48 +/- 0.55   0.013% *  0.2170% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.62 +/- 1.28   0.044% *  0.0619% (0.13   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.09 +/- 0.74   0.003% *  0.1101% (0.23   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  15.88 +/- 1.36   0.004% *  0.0898% (0.19   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.77 +/- 0.92   0.013% *  0.0246% (0.05   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  16.08 +/- 0.60   0.003% *  0.0814% (0.17   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  15.93 +/- 1.19   0.003% *  0.0655% (0.14   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  20.52 +/- 1.01   0.001% *  0.2936% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.26 +/- 0.36   0.004% *  0.0453% (0.09   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  15.45 +/- 0.61   0.004% *  0.0224% (0.05   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  20.42 +/- 0.49   0.001% *  0.1207% (0.25   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  17.93 +/- 1.02   0.002% *  0.0402% (0.08   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  27.96 +/- 1.09   0.000% *  0.4044% (0.84   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  28.78 +/- 0.96   0.000% *  0.1516% (0.31   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  22.74 +/- 1.30   0.000% *  0.0121% (0.03   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  32.49 +/- 0.98   0.000% *  0.0750% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 4.89, residual support = 82.6:
    * O T QB    GLU-  36 - HA    GLU-  36   2.41 +/- 0.18  99.960% * 98.7042% (1.00   4.89  82.59) = 100.000%  kept
          HG3   GLU- 100 - HA    GLU-  36   9.70 +/- 0.79   0.031% *  0.0708% (0.18   0.02   0.02) =   0.000%
        T HB3   GLU-  29 - HA    GLU-  36  12.39 +/- 0.32   0.006% *  0.3504% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.02 +/- 0.21   0.003% *  0.1966% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  24.15 +/- 0.39   0.000% *  0.4004% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  34.40 +/- 0.61   0.000% *  0.2775% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 3.31, residual support = 82.6:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.71 +/- 0.87  99.995% * 99.0288% (1.00   3.31  82.59) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  17.02 +/- 0.79   0.005% *  0.5519% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  26.47 +/- 0.72   0.000% *  0.3146% (0.53   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  31.92 +/- 1.26   0.000% *  0.1047% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 3.31, residual support = 82.6:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.44 +/- 0.12  99.991% * 97.3968% (1.00   3.31  82.59) = 100.000%  kept
          HG3   GLU-  25 - HA    GLU-  36  18.94 +/- 0.44   0.004% *  0.2636% (0.45   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  36  20.81 +/- 3.68   0.004% *  0.2207% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  24.52 +/- 0.40   0.001% *  0.5675% (0.97   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  25.40 +/- 0.50   0.001% *  0.5829% (0.99   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  30.56 +/- 1.34   0.000% *  0.5881% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  35.06 +/- 0.86   0.000% *  0.3804% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 82.6:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.71 +/- 0.87  99.998% * 98.5858% (1.00   3.31  82.59) = 100.000%  kept
          HA    LYS+  66 - HG2   GLU-  36  23.27 +/- 1.87   0.001% *  0.1325% (0.22   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   GLU-  36  28.51 +/- 1.41   0.000% *  0.3851% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  29.91 +/- 0.92   0.000% *  0.5835% (0.98   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  31.61 +/- 1.69   0.000% *  0.3132% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 82.6:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.49 +/- 0.07  99.968% * 98.5303% (1.00   4.30  82.59) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.16 +/- 0.96   0.014% *  0.3975% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.97 +/- 0.82   0.005% *  0.2230% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  11.35 +/- 0.96   0.013% *  0.0802% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  23.74 +/- 1.03   0.000% *  0.4542% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  34.39 +/- 0.88   0.000% *  0.3148% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 82.6:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00 100.000% * 97.1334% (1.00   3.00  82.59) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  19.72 +/- 3.89   0.000% *  0.2430% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  18.15 +/- 0.48   0.000% *  0.2903% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  24.05 +/- 1.16   0.000% *  0.6249% (0.97   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  26.15 +/- 0.99   0.000% *  0.6418% (0.99   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  30.90 +/- 1.91   0.000% *  0.6476% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  35.20 +/- 1.56   0.000% *  0.4189% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 3.31, residual support = 82.6:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.44 +/- 0.12  99.989% * 98.3396% (1.00   3.31  82.59) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  20.81 +/- 3.68   0.004% *  0.0740% (0.12   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  23.64 +/- 1.62   0.001% *  0.1322% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  30.16 +/- 0.68   0.000% *  0.5820% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  29.17 +/- 1.62   0.000% *  0.3841% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  19.57 +/- 2.36   0.004% *  0.0165% (0.03   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  31.99 +/- 0.84   0.000% *  0.3124% (0.53   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  28.79 +/- 2.39   0.000% *  0.0479% (0.08   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  28.40 +/- 2.58   0.000% *  0.0389% (0.07   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  33.76 +/- 3.00   0.000% *  0.0725% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 4.3, residual support = 82.6:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.26 +/- 0.10  99.978% * 98.2942% (1.00   4.30  82.59) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.85 +/- 0.78   0.009% *  0.3965% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  12.78 +/- 0.69   0.003% *  0.2225% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  12.21 +/- 1.18   0.006% *  0.0801% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  18.82 +/- 4.05   0.003% *  0.0494% (0.11   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  17.11 +/- 3.40   0.001% *  0.0570% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  23.95 +/- 0.50   0.000% *  0.4531% (0.99   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  20.99 +/- 4.10   0.001% *  0.0277% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  34.83 +/- 0.66   0.000% *  0.3140% (0.69   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  27.98 +/- 2.97   0.000% *  0.0565% (0.12   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.93 +/- 2.91   0.000% *  0.0100% (0.02   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  36.77 +/- 2.72   0.000% *  0.0391% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 82.6:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00 100.000% * 98.7158% (1.00   3.00  82.59) = 100.000%  kept
          HG3   MET   96 - HG3   GLU-  36  18.69 +/- 0.92   0.000% *  0.6075% (0.92   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - QB    MET   11  19.72 +/- 3.89   0.000% *  0.0820% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  27.14 +/- 1.49   0.000% *  0.3462% (0.53   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  23.87 +/- 2.39   0.000% *  0.0431% (0.07   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  27.67 +/- 2.49   0.000% *  0.0757% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  32.26 +/- 1.54   0.000% *  0.1153% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  38.91 +/- 3.33   0.000% *  0.0144% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.55 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 = 2.31, residual support = 25.9:
    * O T HB2   SER   37 - HA    SER   37   2.54 +/- 0.13  99.289% * 94.5539% (1.00   2.31  25.86) =  99.998%  kept
          HA    LYS+  33 - HA    SER   37   6.01 +/- 0.39   0.619% *  0.1822% (0.22   0.02   0.02) =   0.001%
          HA1   GLY   16 - HA    SER   13   9.80 +/- 1.00   0.037% *  0.3653% (0.45   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  10.01 +/- 0.56   0.028% *  0.3983% (0.49   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  14.45 +/- 2.68   0.009% *  0.4373% (0.53   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  14.98 +/- 1.27   0.003% *  0.6836% (0.84   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  14.07 +/- 1.14   0.004% *  0.2129% (0.26   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  15.32 +/- 2.91   0.008% *  0.0974% (0.12   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  17.17 +/- 0.32   0.001% *  0.3947% (0.48   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  20.11 +/- 0.53   0.000% *  0.6773% (0.83   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  19.73 +/- 0.37   0.000% *  0.3947% (0.48   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  25.18 +/- 0.68   0.000% *  0.8109% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  23.61 +/- 0.38   0.000% *  0.1805% (0.22   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  28.34 +/- 0.45   0.000% *  0.3983% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  29.06 +/- 1.50   0.000% *  0.2129% (0.26   0.02   0.02) =   0.000%
    Distance limit 5.36 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 = 0.594, support = 2.12, residual support = 16.6:
    * O T HB3   SER   37 - HA    SER   37   2.97 +/- 0.17  26.157% * 69.0799% (0.84   2.31  25.86) =  50.816%  kept
      O T QB    SER   13 - HA    SER   13   2.48 +/- 0.10  73.114% * 23.9149% (0.35   1.93   7.07) =  49.174%  kept
          HB    THR   39 - HA    SER   37   5.64 +/- 0.63   0.700% *  0.4917% (0.69   0.02   3.45) =   0.010%
          HA    ILE   89 - HA    THR   46  10.34 +/- 0.58   0.015% *  0.5924% (0.83   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  15.52 +/- 3.21   0.005% *  0.4631% (0.65   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  15.05 +/- 0.28   0.001% *  0.7077% (0.99   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.79 +/- 2.64   0.003% *  0.3195% (0.45   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  15.01 +/- 2.19   0.002% *  0.2627% (0.37   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.46 +/- 0.64   0.001% *  0.2419% (0.34   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  22.27 +/- 0.71   0.000% *  0.4872% (0.68   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.28 +/- 0.59   0.000% *  0.7142% (1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.76 +/- 2.10   0.000% *  0.4588% (0.64   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.11 +/- 0.80   0.000% *  0.5924% (0.83   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.40 +/- 1.26   0.000% *  0.3816% (0.53   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  32.79 +/- 1.00   0.000% *  0.5979% (0.84   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  30.85 +/- 0.65   0.000% *  0.2442% (0.34   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  35.50 +/- 1.91   0.000% *  0.3195% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  33.65 +/- 2.35   0.000% *  0.1305% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 25.9:
    * O T HA    SER   37 - HB2   SER   37   2.54 +/- 0.13  99.886% * 96.1460% (1.00   2.31  25.86) = 100.000%  kept
          HA    LEU   40 - HB2   SER   37   8.70 +/- 0.85   0.079% *  0.3123% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  11.37 +/- 1.41   0.018% *  0.4711% (0.57   0.02   0.02) =   0.000%
        T HA    SER   13 - HB2   SER   37  14.45 +/- 2.68   0.009% *  0.4711% (0.57   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  13.60 +/- 0.57   0.005% *  0.5047% (0.61   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  15.53 +/- 0.94   0.002% *  0.8321% (1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  25.18 +/- 0.68   0.000% *  0.8248% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  24.46 +/- 0.71   0.000% *  0.4378% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.835, support = 2.0, residual support = 25.9:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  97.517% * 95.9695% (0.84   2.00  25.86) =  99.979%  kept
          HB    THR   39 - HB2   SER   37   4.06 +/- 1.34   2.481% *  0.7892% (0.69   0.02   3.45) =   0.021%
        T QB    SER   13 - HB2   SER   37  13.93 +/- 2.90   0.002% *  0.7433% (0.65   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  22.88 +/- 0.94   0.000% *  1.1464% (1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  31.70 +/- 1.17   0.000% *  0.9597% (0.84   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  30.08 +/- 0.82   0.000% *  0.3919% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.597, support = 2.12, residual support = 16.4:
      O T HA    SER   13 - QB    SER   13   2.48 +/- 0.10  73.427% * 25.2368% (0.36   1.93   7.07) =  50.325%  kept
    * O T HA    SER   37 - HB3   SER   37   2.97 +/- 0.17  26.266% * 69.6357% (0.84   2.31  25.86) =  49.673%  kept
          HA    GLU-  15 - QB    SER   13   7.04 +/- 0.47   0.163% *  0.2611% (0.36   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   SER   37   7.88 +/- 0.75   0.085% *  0.2262% (0.31   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13   9.87 +/- 1.44   0.029% *  0.4612% (0.64   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.24 +/- 1.46   0.013% *  0.3412% (0.47   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  15.52 +/- 3.21   0.005% *  0.4612% (0.64   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  12.56 +/- 0.66   0.005% *  0.3656% (0.51   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.79 +/- 2.64   0.003% *  0.3412% (0.47   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.14 +/- 0.96   0.002% *  0.6027% (0.84   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.33 +/- 1.77   0.001% *  0.1731% (0.24   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.28 +/- 1.37   0.001% *  0.2797% (0.39   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.32 +/- 2.01   0.000% *  0.2427% (0.34   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.76 +/- 2.10   0.000% *  0.4571% (0.63   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.11 +/- 0.80   0.000% *  0.5974% (0.83   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.83 +/- 0.75   0.000% *  0.3171% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 25.9:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.725% * 95.8303% (0.84   2.00  25.86) =  99.999%  kept
          HA    LYS+  33 - HB3   SER   37   4.99 +/- 0.59   0.246% *  0.2134% (0.19   0.02   0.02) =   0.001%
        T HA    VAL   70 - HB3   SER   37   7.58 +/- 0.57   0.017% *  0.4665% (0.41   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   8.82 +/- 0.89   0.008% *  0.6125% (0.53   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  13.93 +/- 2.90   0.002% *  0.7333% (0.64   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  12.59 +/- 1.24   0.001% *  0.8004% (0.70   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  13.06 +/- 1.30   0.001% *  0.3569% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  14.76 +/- 2.85   0.001% *  0.1633% (0.14   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  26.10 +/- 0.62   0.000% *  0.4665% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  25.66 +/- 1.35   0.000% *  0.3569% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 6.31, residual support = 214.5:
    * O T HB2   LYS+  38 - HA    LYS+  38   3.00 +/- 0.13  86.509% * 99.1872% (1.00   6.31 214.56) =  99.997%  kept
        T HB2   LYS+  38 - HA    GLU- 100   4.98 +/- 1.78  13.423% *  0.0190% (0.06   0.02   0.02) =   0.003%
          HB    VAL   70 - HA    LYS+  38  11.60 +/- 0.78   0.033% *  0.0622% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.25 +/- 0.50   0.004% *  0.2282% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.97 +/- 0.32   0.006% *  0.1072% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.46 +/- 1.38   0.004% *  0.0784% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.58 +/- 0.54   0.001% *  0.1072% (0.34   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  13.04 +/- 0.44   0.014% *  0.0038% (0.01   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.92 +/- 0.79   0.002% *  0.0138% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  17.04 +/- 0.59   0.003% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  32.39 +/- 0.72   0.000% *  0.1654% (0.53   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.66 +/- 0.87   0.002% *  0.0047% (0.02   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.77 +/- 0.87   0.001% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  32.16 +/- 0.97   0.000% *  0.0100% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 5.62, residual support = 214.5:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.49 +/- 0.14  57.129% * 97.5776% (1.00   5.62 214.56) =  99.984%  kept
        T HB3   LYS+  38 - HA    GLU- 100   3.65 +/- 2.34  42.773% *  0.0210% (0.06   0.02   0.02) =   0.016%
          QB    LYS+  33 - HA    LYS+  38   8.31 +/- 0.49   0.053% *  0.1427% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  11.94 +/- 0.48   0.005% *  0.3284% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  14.93 +/- 0.97   0.001% *  0.2106% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  12.98 +/- 1.33   0.003% *  0.0866% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  14.95 +/- 0.62   0.001% *  0.1072% (0.31   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  16.30 +/- 1.41   0.002% *  0.0773% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.66 +/- 0.77   0.011% *  0.0086% (0.02   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.59 +/- 0.27   0.013% *  0.0052% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  13.81 +/- 0.61   0.002% *  0.0198% (0.06   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.40 +/- 0.39   0.003% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  25.50 +/- 0.47   0.000% *  0.3351% (0.97   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.83 +/- 0.23   0.002% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  25.95 +/- 1.32   0.000% *  0.2900% (0.84   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  26.21 +/- 0.63   0.000% *  0.2246% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  27.69 +/- 0.80   0.000% *  0.1966% (0.57   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  32.18 +/- 0.68   0.000% *  0.1690% (0.49   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  30.42 +/- 0.53   0.000% *  0.0965% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  18.28 +/- 0.61   0.000% *  0.0047% (0.01   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.41 +/- 0.48   0.000% *  0.0202% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.39 +/- 0.95   0.000% *  0.0175% (0.05   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  26.81 +/- 0.29   0.000% *  0.0136% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  28.01 +/- 0.79   0.000% *  0.0119% (0.03   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  31.88 +/- 0.94   0.000% *  0.0102% (0.03   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  31.10 +/- 0.54   0.000% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 1.0, support = 6.62, residual support = 214.5:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.70 +/- 0.33  82.559% * 98.2445% (1.00   6.62 214.56) =  99.987%  kept
        T HG2   LYS+  99 - HA    LYS+  38   5.03 +/- 0.78   2.698% *  0.2908% (0.98   0.02   0.02) =   0.010%
        T HG2   LYS+  38 - HA    GLU- 100   4.81 +/- 1.93   8.471% *  0.0179% (0.06   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - HA    GLU- 100   4.48 +/- 0.43   5.606% *  0.0176% (0.06   0.02  40.05) =   0.001%
          HG    LEU   98 - HA    LYS+  38   9.47 +/- 1.72   0.191% *  0.0458% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+  38  10.97 +/- 0.67   0.024% *  0.2154% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.48 +/- 1.67   0.430% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  12.01 +/- 0.78   0.013% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  17.96 +/- 0.61   0.001% *  0.1330% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.26 +/- 0.60   0.001% *  0.1012% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  19.88 +/- 0.48   0.001% *  0.1330% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  19.44 +/- 0.90   0.001% *  0.0660% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  24.40 +/- 1.02   0.000% *  0.1680% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  26.23 +/- 1.02   0.000% *  0.2375% (0.80   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  28.44 +/- 0.95   0.000% *  0.2478% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.55 +/- 0.46   0.001% *  0.0080% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.86 +/- 0.69   0.001% *  0.0061% (0.02   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.89 +/- 0.60   0.001% *  0.0080% (0.03   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  18.98 +/- 0.92   0.001% *  0.0040% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  25.01 +/- 0.96   0.000% *  0.0144% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  24.62 +/- 1.11   0.000% *  0.0101% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  27.87 +/- 1.05   0.000% *  0.0150% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 214.5:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.00 +/- 0.57  63.772% * 98.1927% (1.00   6.50 214.56) =  99.962%  kept
          QB    ALA   34 - HA    LYS+  38   4.92 +/- 0.34   4.926% *  0.2421% (0.80   0.02   0.02) =   0.019%
          QG2   THR   39 - HA    LYS+  38   5.74 +/- 0.48   1.852% *  0.2712% (0.90   0.02  30.23) =   0.008%
        T HG3   LYS+  99 - HA    LYS+  38   5.65 +/- 1.13   2.533% *  0.1135% (0.38   0.02   0.02) =   0.005%
        T HG3   LYS+  38 - HA    GLU- 100   4.95 +/- 2.50  15.586% *  0.0183% (0.06   0.02   0.02) =   0.005%
          QG2   THR   39 - HA    GLU- 100   7.19 +/- 1.07   3.616% *  0.0164% (0.05   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    GLU- 100   4.76 +/- 0.34   6.415% *  0.0069% (0.02   0.02  40.05) =   0.001%
          QB    ALA   34 - HA    GLU- 100   6.50 +/- 0.72   1.121% *  0.0146% (0.05   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38   9.94 +/- 1.39   0.145% *  0.0933% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  14.33 +/- 1.13   0.009% *  0.1712% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  20.93 +/- 0.51   0.001% *  0.2860% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  19.66 +/- 0.76   0.001% *  0.1356% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.73 +/- 1.06   0.000% *  0.2712% (0.90   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  12.48 +/- 0.88   0.017% *  0.0056% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  20.45 +/- 0.80   0.001% *  0.1031% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  16.69 +/- 0.83   0.003% *  0.0103% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  21.00 +/- 0.56   0.001% *  0.0173% (0.06   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  23.52 +/- 1.60   0.000% *  0.0164% (0.05   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  20.73 +/- 0.76   0.001% *  0.0082% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  21.52 +/- 0.78   0.001% *  0.0062% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 214.5:
    *   T QD    LYS+  38 - HA    LYS+  38   3.69 +/- 0.21  44.527% * 97.9420% (1.00   5.74 214.56) =  99.973%  kept
        T QD    LYS+  38 - HA    GLU- 100   4.17 +/- 2.04  54.856% *  0.0206% (0.06   0.02   0.02) =   0.026%
          QD    LYS+ 102 - HA    LYS+  38  10.56 +/- 1.60   0.081% *  0.2732% (0.80   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   7.68 +/- 0.55   0.519% *  0.0165% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  18.60 +/- 1.04   0.003% *  0.3060% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.11 +/- 1.14   0.002% *  0.3150% (0.92   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  20.03 +/- 0.38   0.002% *  0.1164% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  22.31 +/- 0.54   0.001% *  0.1932% (0.57   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  26.19 +/- 1.31   0.000% *  0.3293% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  17.75 +/- 0.81   0.004% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.62 +/- 0.60   0.000% *  0.2069% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  25.49 +/- 1.12   0.000% *  0.0760% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  28.11 +/- 1.11   0.000% *  0.1053% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.71 +/- 0.49   0.001% *  0.0190% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.90 +/- 0.73   0.002% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  22.15 +/- 0.44   0.001% *  0.0117% (0.03   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  25.99 +/- 1.33   0.000% *  0.0199% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  26.46 +/- 0.70   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  24.88 +/- 0.89   0.001% *  0.0046% (0.01   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  26.92 +/- 1.03   0.000% *  0.0064% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 214.5:
    * O T HA    LYS+  38 - HB2   LYS+  38   3.00 +/- 0.13  86.569% * 99.6143% (1.00   6.31 214.56) =  99.989%  kept
        T HA    GLU- 100 - HB2   LYS+  38   4.98 +/- 1.78  13.430% *  0.0703% (0.22   0.02   0.02) =   0.011%
          HA    VAL   24 - HB2   LYS+  38  20.62 +/- 1.17   0.001% *  0.2042% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  28.12 +/- 1.24   0.000% *  0.0487% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  31.31 +/- 1.01   0.000% *  0.0625% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 5.44, residual support = 214.6:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.994% * 97.6592% (1.00   5.44 214.56) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.39 +/- 0.68   0.005% *  0.1475% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.77 +/- 1.19   0.001% *  0.3395% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  16.57 +/- 0.53   0.000% *  0.2177% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  14.73 +/- 0.84   0.000% *  0.0895% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.60 +/- 1.31   0.000% *  0.0799% (0.22   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  16.17 +/- 0.51   0.000% *  0.1108% (0.31   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  26.94 +/- 1.11   0.000% *  0.3463% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  27.01 +/- 1.22   0.000% *  0.2322% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  28.13 +/- 1.33   0.000% *  0.2998% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  29.84 +/- 1.33   0.000% *  0.2032% (0.57   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  34.45 +/- 1.05   0.000% *  0.1747% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  31.83 +/- 1.14   0.000% *  0.0998% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 6.08, residual support = 214.5:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.75 +/- 0.28  97.693% * 98.2152% (1.00   6.08 214.56) =  99.992%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   5.47 +/- 0.71   2.263% *  0.3167% (0.98   0.02   0.02) =   0.007%
          HB2   LEU   31 - HB2   LYS+  38  13.36 +/- 0.88   0.010% *  0.2347% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  11.63 +/- 1.55   0.031% *  0.0499% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  18.80 +/- 1.13   0.001% *  0.1449% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  19.90 +/- 1.37   0.001% *  0.1102% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  19.08 +/- 0.97   0.001% *  0.0719% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  21.71 +/- 0.91   0.000% *  0.1449% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  27.82 +/- 0.91   0.000% *  0.2588% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  26.88 +/- 1.11   0.000% *  0.1829% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  30.50 +/- 0.71   0.000% *  0.2699% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 1.0, support = 6.0, residual support = 214.5:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.66 +/- 0.35  96.125% * 98.1751% (1.00   6.00 214.56) =  99.991%  kept
          QB    ALA   34 - HB2   LYS+  38   6.54 +/- 0.87   1.418% *  0.2619% (0.80   0.02   0.02) =   0.004%
          QG2   THR   39 - HB2   LYS+  38   5.89 +/- 0.19   1.039% *  0.2933% (0.90   0.02  30.23) =   0.003%
        T HG3   LYS+  99 - HB2   LYS+  38   6.00 +/- 0.91   1.207% *  0.1227% (0.38   0.02   0.02) =   0.002%
          HG    LEU   71 - HB2   LYS+  38  10.94 +/- 1.95   0.205% *  0.1009% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  15.43 +/- 1.73   0.004% *  0.1852% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  22.24 +/- 1.10   0.000% *  0.3094% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  21.42 +/- 1.11   0.000% *  0.1466% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.51 +/- 1.21   0.000% *  0.2933% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.22 +/- 1.47   0.000% *  0.1116% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.999, support = 5.62, residual support = 214.4:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.49 +/- 0.14  57.207% * 99.5672% (1.00   5.62 214.56) =  99.941%  kept
        T HA    GLU- 100 - HB3   LYS+  38   3.65 +/- 2.34  42.792% *  0.0789% (0.22   0.02   0.02) =   0.059%
          HA    VAL   24 - HB3   LYS+  38  20.46 +/- 0.97   0.000% *  0.2292% (0.65   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  27.91 +/- 1.24   0.000% *  0.0547% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  30.70 +/- 1.21   0.000% *  0.0701% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 5.44, residual support = 214.6:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.997% * 99.1323% (1.00   5.44 214.56) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  12.11 +/- 1.42   0.003% *  0.0721% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.48 +/- 0.74   0.000% *  0.2645% (0.73   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  17.40 +/- 1.78   0.000% *  0.0908% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  17.12 +/- 0.67   0.000% *  0.1243% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.85 +/- 0.86   0.000% *  0.1243% (0.34   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  34.06 +/- 0.94   0.000% *  0.1917% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 214.5:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.86 +/- 0.18  92.325% * 98.0735% (1.00   5.62 214.56) =  99.971%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   4.72 +/- 0.88   7.574% *  0.3419% (0.98   0.02   0.02) =   0.029%
          HG    LEU   98 - HB3   LYS+  38  10.73 +/- 1.79   0.086% *  0.0538% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  38  13.26 +/- 0.70   0.010% *  0.2533% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  18.60 +/- 1.19   0.002% *  0.1564% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  19.64 +/- 1.23   0.001% *  0.1190% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  18.73 +/- 1.02   0.001% *  0.0777% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  21.30 +/- 0.80   0.001% *  0.1564% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  26.92 +/- 1.00   0.000% *  0.2793% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  26.48 +/- 1.09   0.000% *  0.1975% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  29.88 +/- 0.73   0.000% *  0.2913% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 1.0, support = 5.45, residual support = 214.5:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.81 +/- 0.23  94.188% * 97.9924% (1.00   5.45 214.56) =  99.989%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   5.20 +/- 1.08   3.721% *  0.1350% (0.38   0.02   0.02) =   0.005%
          QB    ALA   34 - HB3   LYS+  38   6.61 +/- 0.63   0.892% *  0.2881% (0.80   0.02   0.02) =   0.003%
          QG2   THR   39 - HB3   LYS+  38   6.35 +/- 0.38   0.791% *  0.3227% (0.90   0.02  30.23) =   0.003%
          HG    LEU   71 - HB3   LYS+  38  11.48 +/- 1.98   0.401% *  0.1110% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  15.95 +/- 1.70   0.005% *  0.2037% (0.57   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  21.88 +/- 1.00   0.000% *  0.3403% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  21.49 +/- 0.98   0.001% *  0.1613% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  25.04 +/- 1.14   0.000% *  0.3227% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.16 +/- 1.33   0.000% *  0.1227% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 214.6:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.24 +/- 0.10  99.983% * 97.6267% (1.00   4.63 214.56) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  10.29 +/- 1.96   0.016% *  0.3375% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  18.38 +/- 1.03   0.000% *  0.3780% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.62 +/- 1.60   0.000% *  0.3891% (0.92   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  21.84 +/- 0.81   0.000% *  0.2386% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  21.66 +/- 1.15   0.000% *  0.1438% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  28.19 +/- 1.14   0.000% *  0.4068% (0.97   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  27.90 +/- 0.94   0.000% *  0.2556% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  26.89 +/- 1.33   0.000% *  0.0938% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  28.66 +/- 1.01   0.000% *  0.1301% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 1.0, support = 6.62, residual support = 214.5:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.70 +/- 0.33  83.092% * 99.4513% (1.00   6.62 214.56) =  99.989%  kept
        T HA    GLU- 100 - HG2   LYS+  38   4.81 +/- 1.93   8.529% *  0.0669% (0.22   0.02   0.02) =   0.007%
        T HA    LYS+  38 - HG2   LYS+  99   5.03 +/- 0.78   2.724% *  0.0818% (0.27   0.02   0.02) =   0.003%
        T HA    GLU- 100 - HG2   LYS+  99   4.48 +/- 0.43   5.653% *  0.0182% (0.06   0.02  40.05) =   0.001%
          HA    VAL   24 - HG2   LYS+  38  19.88 +/- 0.73   0.001% *  0.1943% (0.65   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  19.60 +/- 0.79   0.001% *  0.0529% (0.18   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  30.38 +/- 1.05   0.000% *  0.0594% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  29.37 +/- 1.29   0.000% *  0.0463% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.40 +/- 0.44   0.000% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  29.26 +/- 1.09   0.000% *  0.0162% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 6.08, residual support = 214.6:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.75 +/- 0.28  97.622% * 98.9248% (1.00   6.08 214.56) =  99.998%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   5.47 +/- 0.71   2.261% *  0.0887% (0.27   0.02   0.02) =   0.002%
          HB    VAL   70 - HG2   LYS+  99   9.36 +/- 0.59   0.087% *  0.0176% (0.05   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.71 +/- 1.34   0.014% *  0.0644% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.09 +/- 0.55   0.002% *  0.2363% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.63 +/- 0.59   0.004% *  0.1110% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  17.82 +/- 2.09   0.004% *  0.0812% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  19.11 +/- 0.81   0.001% *  0.0644% (0.20   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  16.29 +/- 0.78   0.003% *  0.0221% (0.07   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.62 +/- 0.73   0.001% *  0.1110% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.10 +/- 0.60   0.001% *  0.0303% (0.09   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  22.99 +/- 0.79   0.000% *  0.0303% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  34.60 +/- 0.94   0.000% *  0.1712% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  31.33 +/- 0.59   0.000% *  0.0467% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 5.62, residual support = 214.5:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.86 +/- 0.18  92.170% * 97.0414% (1.00   5.62 214.56) =  99.992%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   4.72 +/- 0.88   7.564% *  0.0941% (0.27   0.02   0.02) =   0.008%
          QB    LYS+  33 - HG2   LYS+  38   9.01 +/- 0.51   0.110% *  0.1419% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  13.45 +/- 0.83   0.011% *  0.3265% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  10.96 +/- 0.82   0.033% *  0.0387% (0.11   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.43 +/- 0.19   0.041% *  0.0235% (0.07   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  11.08 +/- 0.29   0.028% *  0.0290% (0.08   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.41 +/- 0.24   0.014% *  0.0570% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  13.73 +/- 0.72   0.008% *  0.0890% (0.26   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  16.97 +/- 0.73   0.002% *  0.2093% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  14.95 +/- 1.20   0.005% *  0.0861% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  17.72 +/- 1.83   0.004% *  0.0768% (0.22   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  17.36 +/- 0.50   0.002% *  0.1065% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  14.44 +/- 0.57   0.006% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  27.99 +/- 1.04   0.000% *  0.3331% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.68 +/- 0.44   0.000% *  0.0908% (0.26   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  28.26 +/- 1.31   0.000% *  0.2883% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  28.56 +/- 1.36   0.000% *  0.2233% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  23.22 +/- 0.36   0.000% *  0.0608% (0.18   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.36 +/- 0.70   0.000% *  0.0786% (0.23   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  29.28 +/- 1.02   0.000% *  0.1954% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  28.14 +/- 0.81   0.000% *  0.0533% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  34.38 +/- 0.90   0.000% *  0.1680% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  32.77 +/- 1.06   0.000% *  0.0960% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  31.09 +/- 0.41   0.000% *  0.0458% (0.13   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  28.46 +/- 0.57   0.000% *  0.0262% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.915, support = 6.49, residual support = 210.3:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.416% * 88.7354% (1.00   6.48 214.56) =  90.538%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.416% *  9.2718% (0.10   6.61 169.85) =   9.460%  kept
          QG2   THR   39 - HG2   LYS+  99   5.05 +/- 0.81   1.054% *  0.0670% (0.24   0.02   0.02) =   0.001%
          QB    ALA   34 - HG2   LYS+  38   6.63 +/- 0.56   0.022% *  0.2195% (0.80   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   7.29 +/- 0.38   0.010% *  0.2458% (0.90   0.02  30.23) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.49 +/- 2.08   0.026% *  0.0846% (0.31   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   6.22 +/- 0.68   0.031% *  0.0598% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HG2   LYS+  99   7.06 +/- 0.90   0.015% *  0.0747% (0.27   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   7.58 +/- 1.01   0.009% *  0.1029% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  15.90 +/- 1.82   0.000% *  0.1552% (0.57   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  11.03 +/- 0.88   0.001% *  0.0231% (0.08   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  15.16 +/- 0.85   0.000% *  0.0423% (0.15   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.99 +/- 1.03   0.000% *  0.2593% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  20.78 +/- 0.86   0.000% *  0.1229% (0.45   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  18.92 +/- 0.52   0.000% *  0.0707% (0.26   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.64 +/- 1.30   0.000% *  0.2458% (0.90   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.59 +/- 1.33   0.000% *  0.0935% (0.34   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  22.56 +/- 1.10   0.000% *  0.0670% (0.24   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  19.92 +/- 0.94   0.000% *  0.0255% (0.09   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  21.08 +/- 0.83   0.000% *  0.0335% (0.12   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 = 214.6:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.42 +/- 0.14  99.431% * 97.4771% (1.00   5.75 214.56) =  99.999%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.14 +/- 0.65   0.498% *  0.0924% (0.27   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  99   8.83 +/- 0.64   0.053% *  0.0740% (0.22   0.02   0.43) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  11.51 +/- 1.75   0.012% *  0.2716% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  14.08 +/- 1.00   0.003% *  0.0829% (0.24   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.79 +/- 1.81   0.000% *  0.3131% (0.92   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  20.83 +/- 1.02   0.000% *  0.3042% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  18.45 +/- 0.55   0.001% *  0.0853% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  17.93 +/- 0.46   0.001% *  0.0523% (0.15   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  22.26 +/- 1.15   0.000% *  0.1157% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  24.33 +/- 0.87   0.000% *  0.1920% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  27.90 +/- 0.95   0.000% *  0.3273% (0.97   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.15 +/- 0.70   0.000% *  0.0315% (0.09   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.07 +/- 0.98   0.000% *  0.2057% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.48 +/- 0.55   0.000% *  0.0561% (0.17   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  26.71 +/- 1.08   0.000% *  0.0892% (0.26   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  27.84 +/- 1.17   0.000% *  0.0755% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  24.58 +/- 0.98   0.000% *  0.0285% (0.08   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  30.52 +/- 1.05   0.000% *  0.1047% (0.31   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  23.71 +/- 0.74   0.000% *  0.0206% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 1.0, support = 6.49, residual support = 214.5:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.00 +/- 0.57  72.512% * 99.5544% (1.00   6.50 214.56) =  99.983%  kept
        T HA    GLU- 100 - HG3   LYS+  38   4.95 +/- 2.50  16.232% *  0.0682% (0.22   0.02   0.02) =   0.015%
        T HA    LYS+  38 - HG3   LYS+  99   5.65 +/- 1.13   2.894% *  0.0320% (0.10   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HG3   LYS+  99   4.76 +/- 0.34   8.358% *  0.0071% (0.02   0.02  40.05) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  20.11 +/- 1.19   0.001% *  0.1983% (0.65   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  20.07 +/- 0.75   0.001% *  0.0207% (0.07   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  29.29 +/- 1.67   0.000% *  0.0473% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  30.61 +/- 1.44   0.000% *  0.0607% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  24.57 +/- 0.78   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  29.50 +/- 1.18   0.000% *  0.0063% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 214.6:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.66 +/- 0.35  98.663% * 99.0973% (1.00   6.00 214.56) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   6.00 +/- 0.91   1.233% *  0.0344% (0.10   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.60 +/- 1.57   0.011% *  0.0653% (0.20   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99   9.75 +/- 0.95   0.080% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  17.38 +/- 0.81   0.002% *  0.2397% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  15.90 +/- 0.76   0.003% *  0.1126% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  17.74 +/- 2.28   0.003% *  0.0823% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.89 +/- 0.97   0.000% *  0.1126% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  16.79 +/- 1.22   0.003% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  19.73 +/- 0.85   0.001% *  0.0250% (0.08   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  18.76 +/- 0.90   0.001% *  0.0118% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  34.70 +/- 1.38   0.000% *  0.1737% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.53 +/- 0.65   0.000% *  0.0118% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  31.51 +/- 0.69   0.000% *  0.0181% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 5.45, residual support = 214.6:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.81 +/- 0.23  95.980% * 97.3871% (1.00   5.45 214.56) =  99.998%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   5.20 +/- 1.08   3.767% *  0.0373% (0.10   0.02   0.02) =   0.002%
          QB    LYS+  33 - HG3   LYS+  38   9.21 +/- 0.61   0.095% *  0.1470% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  13.63 +/- 1.17   0.012% *  0.3382% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.14 +/- 0.53   0.050% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  17.01 +/- 1.24   0.002% *  0.2169% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  15.01 +/- 1.75   0.005% *  0.0892% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  11.59 +/- 1.12   0.024% *  0.0153% (0.04   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.91 +/- 0.37   0.031% *  0.0115% (0.03   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.22 +/- 0.20   0.016% *  0.0226% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  17.50 +/- 1.91   0.004% *  0.0796% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  14.36 +/- 0.89   0.006% *  0.0353% (0.10   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  17.31 +/- 1.00   0.002% *  0.1104% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  14.80 +/- 0.93   0.005% *  0.0083% (0.02   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  27.94 +/- 1.48   0.000% *  0.3451% (0.97   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  28.35 +/- 1.75   0.000% *  0.2987% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  28.43 +/- 1.66   0.000% *  0.2313% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  29.44 +/- 1.45   0.000% *  0.2024% (0.57   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  22.73 +/- 0.61   0.000% *  0.0360% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  23.35 +/- 0.73   0.000% *  0.0241% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.46 +/- 0.74   0.000% *  0.0312% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  34.50 +/- 1.38   0.000% *  0.1740% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  32.74 +/- 1.53   0.000% *  0.0994% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  28.45 +/- 0.92   0.000% *  0.0211% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  31.26 +/- 0.55   0.000% *  0.0182% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  28.69 +/- 1.03   0.000% *  0.0104% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.915, support = 6.49, residual support = 210.3:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.982% * 89.0207% (1.00   6.48 214.56) =  90.540%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.982% *  9.3016% (0.10   6.61 169.85) =   9.460%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   7.06 +/- 0.90   0.015% *  0.2695% (0.98   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   7.58 +/- 1.01   0.009% *  0.0287% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.60 +/- 0.82   0.000% *  0.1997% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  11.91 +/- 1.99   0.001% *  0.0424% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.20 +/- 1.16   0.009% *  0.0044% (0.02   0.02  16.31) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.94 +/- 0.67   0.000% *  0.0208% (0.08   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.22 +/- 1.49   0.000% *  0.1233% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.65 +/- 1.69   0.000% *  0.0938% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.84 +/- 1.17   0.000% *  0.1233% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.17 +/- 0.79   0.000% *  0.0129% (0.05   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  20.74 +/- 1.01   0.000% *  0.0612% (0.22   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  15.33 +/- 0.93   0.000% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  26.36 +/- 1.28   0.000% *  0.1557% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.91 +/- 0.91   0.000% *  0.0098% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  28.63 +/- 1.20   0.000% *  0.2202% (0.80   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  30.25 +/- 1.12   0.000% *  0.2297% (0.84   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.28 +/- 0.48   0.000% *  0.0129% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  22.76 +/- 0.71   0.000% *  0.0230% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  25.39 +/- 1.07   0.000% *  0.0162% (0.06   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  27.97 +/- 0.59   0.000% *  0.0240% (0.09   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 = 5.46, residual support = 214.6:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.34 +/- 0.13  99.646% * 97.7377% (1.00   5.46 214.56) = 100.000%  kept
        T QD    LYS+  38 - HG3   LYS+  99   6.42 +/- 0.79   0.279% *  0.0373% (0.10   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  11.57 +/- 2.26   0.011% *  0.2865% (0.80   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   8.41 +/- 0.88   0.059% *  0.0299% (0.08   0.02   0.43) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  13.81 +/- 0.95   0.003% *  0.0335% (0.09   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  21.64 +/- 1.98   0.000% *  0.3303% (0.92   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  20.67 +/- 1.07   0.000% *  0.3209% (0.90   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  22.33 +/- 1.59   0.000% *  0.1220% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  24.12 +/- 0.95   0.000% *  0.2026% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  18.77 +/- 0.84   0.000% *  0.0345% (0.10   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  17.74 +/- 0.47   0.001% *  0.0211% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  28.12 +/- 1.37   0.000% *  0.3453% (0.97   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.08 +/- 1.43   0.000% *  0.2170% (0.61   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.52 +/- 0.85   0.000% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  27.91 +/- 1.69   0.000% *  0.0797% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  30.49 +/- 1.15   0.000% *  0.1104% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  24.58 +/- 0.64   0.000% *  0.0226% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  26.98 +/- 1.19   0.000% *  0.0360% (0.10   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.34 +/- 0.84   0.000% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  23.77 +/- 0.84   0.000% *  0.0083% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 5.74, residual support = 214.4:
    *   T HA    LYS+  38 - QD    LYS+  38   3.69 +/- 0.21  44.761% * 99.2113% (1.00   5.74 214.56) =  99.905%  kept
        T HA    GLU- 100 - QD    LYS+  38   4.17 +/- 2.04  55.010% *  0.0769% (0.22   0.02   0.02) =   0.095%
          HA    VAL   24 - HD2   LYS+  74  10.52 +/- 0.59   0.089% *  0.0490% (0.14   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  11.29 +/- 0.64   0.057% *  0.0117% (0.03   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  65  11.01 +/- 0.47   0.057% *  0.0097% (0.03   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  19.46 +/- 0.95   0.002% *  0.2236% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  20.03 +/- 0.38   0.002% *  0.0758% (0.22   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.11 +/- 1.14   0.002% *  0.0631% (0.18   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  20.54 +/- 0.71   0.001% *  0.0408% (0.12   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  18.15 +/- 0.80   0.003% *  0.0150% (0.04   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.86 +/- 0.43   0.010% *  0.0040% (0.01   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  20.90 +/- 0.73   0.002% *  0.0169% (0.05   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  26.92 +/- 1.73   0.000% *  0.0533% (0.15   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.71 +/- 0.49   0.001% *  0.0141% (0.04   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  28.36 +/- 1.11   0.000% *  0.0684% (0.20   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  25.41 +/- 0.54   0.000% *  0.0168% (0.05   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  28.11 +/- 1.11   0.000% *  0.0260% (0.08   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  29.12 +/- 0.59   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  25.59 +/- 1.78   0.000% *  0.0051% (0.01   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  26.92 +/- 1.03   0.000% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 5.44 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 = 5.07, residual support = 214.6:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.72 +/- 0.22  98.477% * 98.4496% (1.00   5.07 214.56) = 100.000%  kept
          QG    GLN   17 - QD    LYS+  65   6.34 +/- 1.14   1.163% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  12.88 +/- 1.84   0.242% *  0.0768% (0.20   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  17.12 +/- 2.25   0.018% *  0.0968% (0.25   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  11.53 +/- 1.20   0.028% *  0.0212% (0.05   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.19 +/- 0.37   0.041% *  0.0140% (0.04   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.33 +/- 0.64   0.002% *  0.2818% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  16.12 +/- 0.62   0.003% *  0.1324% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  15.49 +/- 0.60   0.003% *  0.0618% (0.16   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  15.55 +/- 1.21   0.004% *  0.0448% (0.12   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  13.42 +/- 0.51   0.008% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  15.56 +/- 0.53   0.003% *  0.0290% (0.07   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  21.24 +/- 0.81   0.001% *  0.1324% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.29 +/- 1.47   0.001% *  0.0709% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.37 +/- 0.41   0.002% *  0.0290% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  21.81 +/- 1.34   0.001% *  0.0851% (0.22   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  21.68 +/- 1.27   0.000% *  0.0515% (0.13   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  18.62 +/- 0.94   0.001% *  0.0154% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  20.87 +/- 0.89   0.001% *  0.0242% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  31.89 +/- 1.16   0.000% *  0.2041% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  25.24 +/- 0.83   0.000% *  0.0373% (0.10   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  23.85 +/- 0.77   0.000% *  0.0242% (0.06   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.14 +/- 0.84   0.000% *  0.0058% (0.01   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  29.53 +/- 0.92   0.000% *  0.0292% (0.08   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  24.54 +/- 0.79   0.000% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  31.30 +/- 0.56   0.000% *  0.0212% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  31.20 +/- 0.51   0.000% *  0.0100% (0.03   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.31 +/- 0.60   0.000% *  0.0100% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 214.6:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.24 +/- 0.10  99.834% * 95.8167% (1.00   4.63 214.56) = 100.000%  kept
          QB    LYS+  33 - QD    LYS+  38   9.97 +/- 0.50   0.014% *  0.1701% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   9.18 +/- 0.41   0.023% *  0.0489% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  13.95 +/- 1.00   0.002% *  0.3913% (0.95   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  10.93 +/- 0.41   0.008% *  0.0875% (0.21   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   8.47 +/- 0.48   0.039% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111   9.56 +/- 0.32   0.018% *  0.0300% (0.07   0.02   1.21) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.57 +/- 0.31   0.006% *  0.0858% (0.21   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  11.77 +/- 1.45   0.006% *  0.0758% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  16.22 +/- 2.22   0.004% *  0.0921% (0.22   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  13.05 +/- 1.27   0.003% *  0.1032% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  15.17 +/- 0.77   0.001% *  0.2509% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  12.83 +/- 2.00   0.006% *  0.0260% (0.06   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.16 +/- 0.80   0.008% *  0.0189% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  13.51 +/- 0.75   0.002% *  0.0587% (0.14   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  11.73 +/- 0.70   0.005% *  0.0252% (0.06   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.42 +/- 0.71   0.001% *  0.1277% (0.31   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  13.70 +/- 0.42   0.002% *  0.0550% (0.13   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  14.63 +/- 0.41   0.001% *  0.0729% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.45 +/- 1.07   0.002% *  0.0514% (0.12   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  14.47 +/- 0.44   0.002% *  0.0373% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  16.53 +/- 0.80   0.001% *  0.0715% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  15.54 +/- 1.23   0.001% *  0.0442% (0.11   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  14.66 +/- 0.53   0.001% *  0.0280% (0.07   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  14.23 +/- 0.91   0.002% *  0.0210% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  15.93 +/- 0.96   0.001% *  0.0311% (0.08   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  13.54 +/- 0.98   0.002% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  25.52 +/- 1.42   0.000% *  0.3992% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  15.52 +/- 0.49   0.001% *  0.0201% (0.05   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.62 +/- 1.60   0.000% *  0.0756% (0.18   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  18.45 +/- 0.34   0.000% *  0.0458% (0.11   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  16.57 +/- 0.37   0.001% *  0.0233% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  26.02 +/- 1.33   0.000% *  0.3455% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  26.00 +/- 1.80   0.000% *  0.2676% (0.65   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  21.66 +/- 1.15   0.000% *  0.0907% (0.22   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  21.65 +/- 0.52   0.000% *  0.0631% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  18.39 +/- 0.56   0.000% *  0.0226% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  27.45 +/- 1.25   0.000% *  0.2342% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  18.76 +/- 0.75   0.000% *  0.0202% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  18.39 +/- 0.99   0.000% *  0.0152% (0.04   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  17.87 +/- 0.83   0.000% *  0.0087% (0.02   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  17.95 +/- 1.05   0.000% *  0.0078% (0.02   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  23.92 +/- 1.17   0.000% *  0.0428% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  31.69 +/- 1.17   0.000% *  0.2014% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  30.22 +/- 1.55   0.000% *  0.1150% (0.28   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.32 +/- 0.37   0.000% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  25.28 +/- 1.19   0.000% *  0.0368% (0.09   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  23.98 +/- 1.49   0.000% *  0.0176% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.72 +/- 0.55   0.000% *  0.0295% (0.07   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  28.66 +/- 1.01   0.000% *  0.0311% (0.08   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  26.90 +/- 0.72   0.000% *  0.0128% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  27.12 +/- 0.85   0.000% *  0.0069% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.978, support = 5.62, residual support = 209.9:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.42 +/- 0.14  66.146% * 91.3310% (1.00   5.75 214.56) =  97.845%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.89 +/- 0.09  22.321% *  5.9435% (0.06   6.21 312.26) =   2.149%
          HB3   ASP-  44 - HD2   LYS+  74   3.94 +/- 0.89  10.872% *  0.0238% (0.07   0.02   5.98) =   0.004%
        T HG2   LYS+  99 - QD    LYS+  38   6.14 +/- 0.65   0.319% *  0.3115% (0.98   0.02   0.02) =   0.002%
          QG2   THR   77 - HD2   LYS+  74   6.24 +/- 0.62   0.255% *  0.0312% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.64 +/- 0.21   0.032% *  0.0260% (0.08   0.02   1.22) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.08 +/- 1.53   0.015% *  0.0490% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.82 +/- 0.57   0.003% *  0.2308% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  10.39 +/- 0.75   0.012% *  0.0312% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  12.51 +/- 0.90   0.004% *  0.0395% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.04 +/- 0.49   0.005% *  0.0198% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  14.26 +/- 0.47   0.002% *  0.0506% (0.16   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.66 +/- 1.62   0.000% *  0.1425% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  16.89 +/- 0.75   0.001% *  0.0582% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.45 +/- 1.54   0.000% *  0.1084% (0.34   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  16.86 +/- 0.49   0.001% *  0.0558% (0.18   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  18.02 +/- 1.02   0.000% *  0.0708% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.34 +/- 0.96   0.000% *  0.1425% (0.45   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  13.56 +/- 0.43   0.002% *  0.0107% (0.03   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.02 +/- 1.54   0.002% *  0.0108% (0.03   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.98 +/- 0.47   0.001% *  0.0260% (0.08   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.35 +/- 0.63   0.002% *  0.0129% (0.04   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.45 +/- 0.55   0.000% *  0.0569% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.15 +/- 0.70   0.000% *  0.0683% (0.21   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  25.63 +/- 0.99   0.000% *  0.2545% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  24.82 +/- 1.01   0.000% *  0.1799% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  15.96 +/- 0.78   0.001% *  0.0107% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.79 +/- 1.81   0.000% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  18.07 +/- 1.15   0.000% *  0.0200% (0.06   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  27.67 +/- 0.85   0.000% *  0.2655% (0.84   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  22.26 +/- 1.15   0.000% *  0.0697% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.43 +/- 0.82   0.000% *  0.0422% (0.13   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.23 +/- 0.43   0.000% *  0.0465% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.14 +/- 0.98   0.001% *  0.0082% (0.03   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.39 +/- 0.98   0.001% *  0.0053% (0.02   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.65 +/- 0.96   0.000% *  0.0090% (0.03   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.79 +/- 0.82   0.000% *  0.0155% (0.05   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  25.27 +/- 0.49   0.000% *  0.0485% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  23.94 +/- 0.61   0.000% *  0.0329% (0.10   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.58 +/- 0.98   0.000% *  0.0234% (0.07   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  19.61 +/- 1.69   0.000% *  0.0037% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.18 +/- 1.31   0.000% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.12 +/- 0.83   0.000% *  0.0174% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  30.52 +/- 1.05   0.000% *  0.0239% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 0.953, support = 5.47, residual support = 212.6:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.34 +/- 0.13  57.794% * 90.2900% (1.00   5.46 214.56) =  94.926%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.49 +/- 0.16  40.680% *  6.8525% (0.07   5.54 176.28) =   5.071%  kept
          HG    LEU   71 - QD    LYS+  38  11.92 +/- 2.33   1.094% *  0.1020% (0.31   0.02   0.02) =   0.002%
          QB    ALA   34 - QD    LYS+  38   7.32 +/- 0.67   0.089% *  0.2647% (0.80   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   6.42 +/- 0.79   0.157% *  0.1241% (0.38   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  38   7.37 +/- 0.40   0.061% *  0.2964% (0.90   0.02  30.23) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   7.40 +/- 0.44   0.060% *  0.0686% (0.21   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74   9.90 +/- 1.16   0.012% *  0.0650% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.91 +/- 2.03   0.002% *  0.1871% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.36 +/- 0.25   0.014% *  0.0235% (0.07   0.02   1.21) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  10.66 +/- 0.38   0.007% *  0.0410% (0.12   0.02   5.27) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  12.01 +/- 0.42   0.003% *  0.0571% (0.17   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.11 +/- 0.38   0.003% *  0.0580% (0.18   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.24 +/- 0.93   0.003% *  0.0542% (0.16   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  11.15 +/- 0.58   0.005% *  0.0325% (0.10   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.99 +/- 0.85   0.004% *  0.0342% (0.10   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.83 +/- 0.98   0.001% *  0.0650% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  13.99 +/- 0.59   0.001% *  0.0484% (0.15   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  12.62 +/- 0.63   0.002% *  0.0223% (0.07   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  13.19 +/- 0.99   0.002% *  0.0224% (0.07   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.32 +/- 1.01   0.002% *  0.0206% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.11 +/- 1.29   0.000% *  0.3127% (0.95   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.48 +/- 0.94   0.002% *  0.0186% (0.06   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  20.13 +/- 0.98   0.000% *  0.1482% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.65 +/- 1.36   0.000% *  0.2964% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  18.01 +/- 1.18   0.000% *  0.0542% (0.16   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.57 +/- 1.60   0.000% *  0.1127% (0.34   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  21.64 +/- 1.98   0.000% *  0.0604% (0.18   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  18.56 +/- 0.76   0.000% *  0.0271% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.33 +/- 1.59   0.000% *  0.0725% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.77 +/- 0.84   0.000% *  0.0227% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.52 +/- 0.85   0.000% *  0.0272% (0.08   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  21.77 +/- 0.86   0.000% *  0.0223% (0.07   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  21.36 +/- 0.72   0.000% *  0.0199% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.34 +/- 0.75   0.000% *  0.0085% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.34 +/- 0.84   0.000% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.07 +/- 0.60   0.000% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.74 +/- 0.40   0.000% *  0.0141% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  30.49 +/- 1.15   0.000% *  0.0249% (0.08   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.76 +/- 0.98   0.000% *  0.0077% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.5:
    * O T HB    THR   39 - HA    THR   39   2.98 +/- 0.16  94.363% * 95.5780% (1.00   3.00  38.48) =  99.962%  kept
          HB3   SER   37 - HA    THR   39   5.06 +/- 0.72   5.544% *  0.6149% (0.97   0.02   3.45) =   0.038%
          QB    SER   13 - HA    THR   39  15.72 +/- 2.39   0.011% *  0.6358% (1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - HA    ILE  103  12.10 +/- 0.46   0.023% *  0.2105% (0.33   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.86 +/- 0.55   0.027% *  0.1589% (0.25   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.84 +/- 0.29   0.016% *  0.1362% (0.21   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  14.08 +/- 0.85   0.009% *  0.2032% (0.32   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.36 +/- 0.69   0.002% *  0.4122% (0.65   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.33 +/- 0.51   0.004% *  0.0525% (0.08   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.27 +/- 1.71   0.001% *  0.2100% (0.33   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  22.71 +/- 0.57   0.000% *  0.2032% (0.32   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  29.93 +/- 0.65   0.000% *  0.6149% (0.97   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  30.23 +/- 0.96   0.000% *  0.5322% (0.84   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  25.62 +/- 1.49   0.000% *  0.1758% (0.28   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  25.49 +/- 0.63   0.000% *  0.0650% (0.10   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  30.77 +/- 0.55   0.000% *  0.1967% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.867, support = 3.0, residual support = 38.5:
    * O T QG2   THR   39 - HA    THR   39   2.54 +/- 0.34  86.559% * 94.3820% (0.87   3.00  38.48) =  99.952%  kept
          HG3   LYS+  99 - HA    THR   39   4.68 +/- 1.14  11.342% *  0.2474% (0.34   0.02   0.02) =   0.034%
          QB    ALA   34 - HA    THR   39   5.10 +/- 0.27   1.422% *  0.6059% (0.84   0.02   6.24) =   0.011%
          HG3   LYS+  38 - HA    THR   39   6.53 +/- 0.19   0.314% *  0.7238% (1.00   0.02  30.23) =   0.003%
          HG    LEU   71 - HA    THR   39   8.37 +/- 1.06   0.121% *  0.2017% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   7.65 +/- 0.42   0.134% *  0.0817% (0.11   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   8.76 +/- 0.58   0.052% *  0.2002% (0.28   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ILE  103   9.90 +/- 0.47   0.033% *  0.2079% (0.29   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  12.69 +/- 0.84   0.006% *  0.3816% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  12.86 +/- 1.46   0.007% *  0.2391% (0.33   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.56 +/- 0.37   0.002% *  0.2313% (0.32   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  19.34 +/- 0.45   0.001% *  0.7000% (0.97   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  18.02 +/- 1.52   0.001% *  0.2079% (0.29   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  14.56 +/- 0.29   0.003% *  0.0666% (0.09   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  20.15 +/- 0.78   0.000% *  0.3531% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  19.15 +/- 0.85   0.001% *  0.2239% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.39 +/- 0.66   0.001% *  0.1261% (0.17   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  23.26 +/- 0.69   0.000% *  0.6292% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.99 +/- 0.74   0.001% *  0.0740% (0.10   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  19.88 +/- 0.75   0.000% *  0.1167% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.5:
    * O T HA    THR   39 - HB    THR   39   2.98 +/- 0.16  99.967% * 96.3467% (1.00   3.00  38.48) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  12.10 +/- 0.46   0.025% *  0.4664% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  16.04 +/- 0.64   0.005% *  0.3379% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  19.85 +/- 3.03   0.002% *  0.3126% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  20.92 +/- 0.67   0.001% *  0.4909% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  24.46 +/- 1.25   0.000% *  0.6366% (0.99   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  24.40 +/- 0.75   0.000% *  0.3896% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  30.61 +/- 0.68   0.000% *  0.6296% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  32.26 +/- 0.93   0.000% *  0.3896% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.865, support = 2.96, residual support = 36.6:
    * O T QG2   THR   39 - HB    THR   39   2.17 +/- 0.01  91.073% * 56.7707% (0.87   3.00  38.48) =  94.026%  kept
        T QB    ALA   34 - HB    THR   39   3.61 +/- 0.84   7.980% * 41.1477% (0.84   2.26   6.24) =   5.971%  kept
          HG    LEU   71 - HB    THR   39   5.93 +/- 1.22   0.685% *  0.1213% (0.28   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HB    THR   39   7.08 +/- 0.31   0.079% *  0.4353% (1.00   0.02  30.23) =   0.001%
        T HG3   LYS+  99 - HB    THR   39   6.88 +/- 1.09   0.173% *  0.1488% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    THR   39  10.37 +/- 1.17   0.009% *  0.2296% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  18.98 +/- 0.49   0.000% *  0.4211% (0.97   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  18.28 +/- 1.13   0.000% *  0.2124% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  17.61 +/- 1.20   0.000% *  0.1347% (0.31   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  22.62 +/- 0.75   0.000% *  0.3785% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.5:
    * O T HA    THR   39 - QG2   THR   39   2.54 +/- 0.34  94.426% * 92.2518% (0.87   3.00  38.48) =  99.986%  kept
          HB    THR   77 - QB    ALA   91   4.64 +/- 0.38   3.404% *  0.1761% (0.25   0.02   0.02) =   0.007%
          HA1   GLY   51 - QB    ALA   91   7.12 +/- 2.64   1.256% *  0.2847% (0.40   0.02   0.02) =   0.004%
          HA    GLU-  79 - QG2   THR   23   6.19 +/- 0.59   0.700% *  0.3421% (0.48   0.02   0.02) =   0.003%
        T HA    ILE  103 - QG2   THR   39   9.90 +/- 0.47   0.042% *  0.4466% (0.63   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91   9.76 +/- 0.48   0.046% *  0.1761% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  10.23 +/- 1.03   0.027% *  0.2879% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91   9.80 +/- 0.22   0.038% *  0.1528% (0.22   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  10.73 +/- 1.47   0.021% *  0.2219% (0.31   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.65 +/- 0.61   0.009% *  0.3236% (0.46   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  11.91 +/- 0.67   0.013% *  0.2093% (0.30   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  14.22 +/- 0.77   0.004% *  0.2093% (0.30   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  16.37 +/- 0.84   0.002% *  0.4700% (0.66   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.05 +/- 0.59   0.004% *  0.1816% (0.26   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  16.47 +/- 2.49   0.002% *  0.2994% (0.42   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  17.04 +/- 0.63   0.001% *  0.2637% (0.37   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  20.36 +/- 0.91   0.001% *  0.6096% (0.86   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  18.02 +/- 1.52   0.001% *  0.2109% (0.30   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  18.97 +/- 0.78   0.001% *  0.3383% (0.48   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.04 +/- 0.68   0.001% *  0.3730% (0.53   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  20.15 +/- 0.78   0.000% *  0.3451% (0.49   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  19.88 +/- 0.75   0.000% *  0.2506% (0.35   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.68 +/- 0.75   0.000% *  0.6028% (0.85   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  23.26 +/- 0.69   0.000% *  0.2904% (0.41   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  23.02 +/- 3.04   0.000% *  0.1680% (0.24   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  26.88 +/- 0.71   0.000% *  0.3730% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  31.66 +/- 2.30   0.000% *  0.1414% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.867, support = 3.0, residual support = 38.5:
    * O T HB    THR   39 - QG2   THR   39   2.17 +/- 0.01  91.745% * 93.0895% (0.87   3.00  38.48) =  99.953%  kept
          HB3   SER   37 - QG2   THR   39   4.23 +/- 1.17   6.090% *  0.5989% (0.84   0.02   3.45) =   0.043%
          HA    ILE   89 - QB    ALA   91   5.50 +/- 0.84   0.614% *  0.2828% (0.40   0.02   7.95) =   0.002%
          HD3   PRO   52 - QB    ALA   91   6.17 +/- 2.29   1.484% *  0.0905% (0.13   0.02   0.02) =   0.002%
          QB    SER   13 - QG2   THR   39  11.43 +/- 2.01   0.011% *  0.6192% (0.87   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23   9.37 +/- 1.03   0.018% *  0.2909% (0.41   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.58 +/- 0.79   0.027% *  0.1547% (0.22   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23  11.32 +/- 0.60   0.005% *  0.0868% (0.12   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.40 +/- 0.63   0.002% *  0.2448% (0.34   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  14.86 +/- 0.61   0.001% *  0.4015% (0.56   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  15.33 +/- 0.89   0.001% *  0.3361% (0.47   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  17.82 +/- 2.39   0.001% *  0.3475% (0.49   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  15.12 +/- 0.37   0.001% *  0.1896% (0.26   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  18.28 +/- 1.13   0.000% *  0.3482% (0.49   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  18.19 +/- 0.73   0.000% *  0.3361% (0.47   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  24.00 +/- 1.04   0.000% *  0.5989% (0.84   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  24.19 +/- 0.75   0.000% *  0.5184% (0.72   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  22.62 +/- 0.75   0.000% *  0.2931% (0.41   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  19.27 +/- 0.79   0.000% *  0.1075% (0.15   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  23.99 +/- 2.08   0.000% *  0.2924% (0.41   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  22.99 +/- 0.65   0.000% *  0.2253% (0.31   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.09 +/- 0.96   0.000% *  0.2828% (0.40   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  20.34 +/- 0.37   0.000% *  0.0731% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.26 +/- 0.77   0.000% *  0.1915% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 1.0, support = 5.36, residual support = 108.9:
    * O T HB2   LEU   40 - HA    LEU   40   2.65 +/- 0.20  95.804% * 97.4276% (1.00   5.36 108.93) =  99.994%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.90 +/- 0.78   3.898% *  0.1431% (0.39   0.02   0.80) =   0.006%
        T HB2   LEU   40 - HA    ASN   35   9.41 +/- 0.60   0.058% *  0.1363% (0.37   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   9.24 +/- 0.33   0.057% *  0.1003% (0.28   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40   8.67 +/- 0.32   0.089% *  0.0561% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.35 +/- 0.15   0.017% *  0.2911% (0.80   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  12.82 +/- 1.27   0.012% *  0.2940% (0.81   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    GLU-  15  10.09 +/- 0.51   0.038% *  0.0454% (0.12   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.34 +/- 1.59   0.008% *  0.0907% (0.25   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  14.25 +/- 1.02   0.004% *  0.1240% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  16.83 +/- 1.83   0.003% *  0.1770% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  14.51 +/- 0.60   0.004% *  0.1092% (0.30   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  19.43 +/- 0.82   0.001% *  0.2354% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  17.64 +/- 1.87   0.002% *  0.0664% (0.18   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  14.85 +/- 0.71   0.004% *  0.0210% (0.06   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  18.12 +/- 1.23   0.001% *  0.0465% (0.13   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  24.32 +/- 0.73   0.000% *  0.1783% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  25.83 +/- 0.31   0.000% *  0.2205% (0.61   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  24.27 +/- 2.56   0.000% *  0.1122% (0.31   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  24.42 +/- 3.30   0.000% *  0.0421% (0.12   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  30.49 +/- 0.54   0.000% *  0.0827% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.864, support = 5.56, residual support = 108.9:
    * O T HB3   LEU   40 - HA    LEU   40   2.83 +/- 0.32  56.072% * 71.7573% (1.00   5.62 108.93) =  78.219%  kept
      O T HG    LEU   40 - HA    LEU   40   3.00 +/- 0.19  43.687% * 25.6459% (0.38   5.35 108.93) =  21.780%  kept
          HG    LEU   67 - HA    LEU   40   9.04 +/- 1.02   0.069% *  0.1243% (0.49   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35   9.52 +/- 0.70   0.042% *  0.0958% (0.37   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  12.19 +/- 1.31   0.011% *  0.2066% (0.81   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35   9.97 +/- 0.53   0.029% *  0.0359% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  10.80 +/- 0.98   0.022% *  0.0460% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  12.11 +/- 0.51   0.009% *  0.1087% (0.43   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU-  15  12.11 +/- 0.53   0.009% *  0.1005% (0.39   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  11.40 +/- 0.53   0.014% *  0.0574% (0.22   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  14.95 +/- 0.40   0.003% *  0.2358% (0.92   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  14.68 +/- 0.24   0.003% *  0.1344% (0.53   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  12.98 +/- 1.73   0.008% *  0.0447% (0.18   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.95 +/- 1.53   0.004% *  0.0775% (0.30   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  14.61 +/- 0.46   0.003% *  0.0710% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  13.01 +/- 0.30   0.006% *  0.0266% (0.10   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  19.24 +/- 0.84   0.001% *  0.2358% (0.92   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  16.77 +/- 0.45   0.001% *  0.0959% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  15.74 +/- 1.01   0.002% *  0.0466% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.18 +/- 0.51   0.002% *  0.0569% (0.22   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  19.90 +/- 0.73   0.000% *  0.1907% (0.75   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  17.34 +/- 0.55   0.001% *  0.0504% (0.20   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  23.39 +/- 1.01   0.000% *  0.1907% (0.75   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  20.81 +/- 0.44   0.000% *  0.0884% (0.35   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  21.55 +/- 0.67   0.000% *  0.0775% (0.30   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  25.49 +/- 0.85   0.000% *  0.0884% (0.35   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  19.56 +/- 1.73   0.001% *  0.0168% (0.07   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  22.22 +/- 1.80   0.000% *  0.0362% (0.14   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  22.85 +/- 0.54   0.000% *  0.0359% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  21.44 +/- 0.90   0.000% *  0.0213% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 1.0, support = 5.36, residual support = 108.9:
    * O T HA    LEU   40 - HB2   LEU   40   2.65 +/- 0.20  97.015% * 97.7287% (1.00   5.36 108.93) =  99.997%  kept
          HA    LYS+  99 - HB2   LEU   40   4.95 +/- 0.42   2.503% *  0.0909% (0.25   0.02  15.55) =   0.002%
        T HA    ASN   35 - HB2   LEU   40   9.41 +/- 0.60   0.059% *  0.1369% (0.38   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  12.82 +/- 1.27   0.012% *  0.3450% (0.95   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.61 +/- 0.32   0.026% *  0.1369% (0.38   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67   8.67 +/- 0.32   0.091% *  0.0336% (0.09   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   7.92 +/- 0.60   0.153% *  0.0126% (0.03   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  13.09 +/- 0.52   0.008% *  0.1919% (0.53   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67  10.09 +/- 0.51   0.038% *  0.0318% (0.09   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  13.33 +/- 0.76   0.008% *  0.1369% (0.38   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  10.12 +/- 0.60   0.038% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  18.02 +/- 1.44   0.001% *  0.3450% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  18.24 +/- 0.58   0.001% *  0.3520% (0.97   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.20 +/- 0.69   0.011% *  0.0324% (0.09   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  11.30 +/- 0.48   0.019% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  18.89 +/- 0.53   0.001% *  0.1499% (0.41   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  15.71 +/- 0.99   0.003% *  0.0318% (0.09   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.34 +/- 0.43   0.001% *  0.1635% (0.45   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  14.44 +/- 0.67   0.004% *  0.0138% (0.04   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  14.85 +/- 0.71   0.004% *  0.0126% (0.03   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.26 +/- 0.87   0.003% *  0.0126% (0.03   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  17.66 +/- 0.58   0.001% *  0.0151% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.955, support = 4.26, residual support = 108.4:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  79.488% * 66.7410% (1.00   4.24 108.93) =  93.001%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.40 +/- 0.21  13.211% * 28.2367% (0.38   4.78 108.93) =   6.540%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.68 +/- 0.25   7.174% *  3.6523% (0.04   5.17  61.51) =   0.459%
          HG    LEU   67 - HB2   LEU   40   6.94 +/- 1.18   0.041% *  0.1532% (0.49   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU   67   6.27 +/- 0.73   0.047% *  0.0290% (0.09   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   7.20 +/- 0.80   0.023% *  0.0109% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  13.60 +/- 0.43   0.000% *  0.2906% (0.92   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  11.96 +/- 1.91   0.001% *  0.0551% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   8.03 +/- 0.56   0.009% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  15.06 +/- 0.54   0.000% *  0.1656% (0.53   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.75 +/- 0.43   0.001% *  0.0268% (0.09   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  18.45 +/- 0.87   0.000% *  0.2906% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  14.75 +/- 0.74   0.000% *  0.0701% (0.22   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  16.17 +/- 0.56   0.000% *  0.1181% (0.38   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  15.73 +/- 0.44   0.000% *  0.0875% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  11.85 +/- 0.40   0.001% *  0.0153% (0.05   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.96 +/- 0.99   0.000% *  0.0268% (0.09   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  13.15 +/- 0.50   0.000% *  0.0109% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  12.47 +/- 1.62   0.001% *  0.0051% (0.02   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  15.48 +/- 0.37   0.000% *  0.0081% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 108.9:
    * O T HA    LEU   40 - HB3   LEU   40   2.83 +/- 0.32  94.688% * 97.7745% (1.00   5.62 108.93) =  99.997%  kept
          HA    LYS+  99 - HB3   LEU   40   5.28 +/- 0.82   2.600% *  0.0868% (0.25   0.02  15.55) =   0.002%
          HA    ILE   56 - HB3   LEU  115   5.43 +/- 0.34   2.426% *  0.0168% (0.05   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU   40   9.52 +/- 0.70   0.084% *  0.1306% (0.38   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU   40  12.19 +/- 1.31   0.024% *  0.3292% (0.95   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.93 +/- 0.28   0.033% *  0.1306% (0.38   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.58 +/- 0.23   0.073% *  0.0394% (0.11   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  12.50 +/- 1.17   0.020% *  0.1306% (0.38   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU   40  13.12 +/- 0.45   0.011% *  0.1831% (0.53   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  17.62 +/- 1.35   0.002% *  0.3292% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  17.46 +/- 0.77   0.002% *  0.3359% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  12.30 +/- 0.30   0.016% *  0.0183% (0.05   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  18.17 +/- 0.67   0.002% *  0.1431% (0.41   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.24 +/- 0.35   0.010% *  0.0215% (0.06   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.48 +/- 0.43   0.001% *  0.1560% (0.45   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  16.77 +/- 0.45   0.003% *  0.0408% (0.12   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  17.01 +/- 0.60   0.002% *  0.0153% (0.04   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  21.55 +/- 0.67   0.001% *  0.0386% (0.11   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.22 +/- 0.34   0.002% *  0.0102% (0.03   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  22.85 +/- 0.54   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  27.36 +/- 1.32   0.000% *  0.0386% (0.11   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  26.03 +/- 0.42   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 4.24, residual support = 108.9:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.935% * 98.5444% (1.00   4.24 108.93) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   6.27 +/- 0.73   0.060% *  0.0717% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  12.11 +/- 0.25   0.001% *  0.3721% (0.80   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.85 +/- 1.59   0.001% *  0.1585% (0.34   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  11.36 +/- 0.39   0.001% *  0.0437% (0.09   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  15.83 +/- 1.35   0.000% *  0.2262% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.24 +/- 0.36   0.001% *  0.0331% (0.07   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  16.17 +/- 0.56   0.000% *  0.0545% (0.12   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.56 +/- 0.77   0.000% *  0.0186% (0.04   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  13.15 +/- 0.50   0.001% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.64 +/- 0.68   0.000% *  0.2819% (0.61   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  23.21 +/- 2.26   0.000% *  0.1434% (0.31   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  25.48 +/- 1.59   0.000% *  0.0265% (0.06   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  33.24 +/- 1.88   0.000% *  0.0168% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 4.0, residual support = 71.8:
    * O T HB    VAL   41 - HA    VAL   41   2.52 +/- 0.37  99.709% * 95.5774% (0.69   4.00  71.80) =  99.999%  kept
          QB    LYS+  33 - HA    VAL   41   7.75 +/- 0.52   0.157% *  0.2147% (0.31   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    VAL   41   9.43 +/- 0.41   0.044% *  0.5811% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  10.15 +/- 0.24   0.033% *  0.2860% (0.41   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.70 +/- 0.20   0.014% *  0.3386% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  11.67 +/- 0.30   0.013% *  0.3386% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  11.17 +/- 0.35   0.020% *  0.1218% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  13.14 +/- 0.38   0.006% *  0.3660% (0.53   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  17.49 +/- 0.64   0.001% *  0.6896% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.28 +/- 0.74   0.000% *  0.6896% (0.99   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.53 +/- 0.64   0.001% *  0.1735% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  22.10 +/- 0.58   0.000% *  0.3119% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  22.24 +/- 0.71   0.000% *  0.1377% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  25.10 +/- 0.35   0.000% *  0.1735% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.17, residual support = 71.8:
    * O T QG1   VAL   41 - HA    VAL   41   2.86 +/- 0.32  88.268% * 98.0524% (1.00   4.17  71.80) =  99.961%  kept
          QG1   VAL   43 - HA    VAL   41   4.86 +/- 0.27   3.868% *  0.4449% (0.95   0.02   3.09) =   0.020%
          QD2   LEU   73 - HA    VAL   41   4.65 +/- 0.34   6.747% *  0.2109% (0.45   0.02   0.23) =   0.016%
          HG    LEU   31 - HA    VAL   41   8.00 +/- 1.36   0.499% *  0.2853% (0.61   0.02   0.02) =   0.002%
        T QG2   VAL   18 - HA    VAL   41   8.75 +/- 0.79   0.173% *  0.3594% (0.76   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    VAL   41   8.33 +/- 0.49   0.195% *  0.1452% (0.31   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.18 +/- 0.58   0.224% *  0.0931% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  12.61 +/- 0.45   0.015% *  0.3042% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  13.17 +/- 0.26   0.011% *  0.1047% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 71.8:
    * O T QG2   VAL   41 - HA    VAL   41   2.59 +/- 0.18  97.595% * 98.7372% (1.00   3.91  71.80) =  99.988%  kept
          QD2   LEU   98 - HA    VAL   41   5.08 +/- 0.78   2.355% *  0.4781% (0.95   0.02  27.91) =   0.012%
          QD2   LEU   63 - HA    VAL   41   9.57 +/- 0.80   0.049% *  0.3066% (0.61   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  17.37 +/- 1.31   0.001% *  0.4781% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 4.0, residual support = 71.8:
    * O T HA    VAL   41 - HB    VAL   41   2.52 +/- 0.37  99.988% * 99.3013% (0.69   4.00  71.80) = 100.000%  kept
          HA    PHE   45 - HB    VAL   41  13.06 +/- 0.29   0.008% *  0.3011% (0.42   0.02   0.02) =   0.000%
          HA    HIS  122 - HB    VAL   41  14.54 +/- 0.52   0.004% *  0.3976% (0.55   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.687, support = 3.88, residual support = 71.8:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.01  97.222% * 97.9087% (0.69   3.88  71.80) =  99.990%  kept
          QG1   VAL   43 - HB    VAL   41   4.78 +/- 0.48   0.969% *  0.4777% (0.65   0.02   3.09) =   0.005%
          QD2   LEU   73 - HB    VAL   41   5.15 +/- 1.15   1.036% *  0.2264% (0.31   0.02   0.23) =   0.002%
          HG    LEU   31 - HB    VAL   41   6.76 +/- 1.36   0.681% *  0.3063% (0.42   0.02   0.02) =   0.002%
        T QD2   LEU  104 - HB    VAL   41   7.97 +/- 1.01   0.050% *  0.0999% (0.14   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41   8.90 +/- 1.39   0.029% *  0.1559% (0.21   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  10.24 +/- 1.00   0.010% *  0.3859% (0.52   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.35 +/- 0.42   0.002% *  0.3267% (0.44   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  14.22 +/- 0.66   0.001% *  0.1124% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.684, support = 3.82, residual support = 68.0:
    * O T QG2   VAL   41 - HB    VAL   41   2.13 +/- 0.01  85.168% * 64.6443% (0.69   3.97  71.80) =  91.420%  kept
          QD2   LEU   98 - HB    VAL   41   3.80 +/- 1.15  14.827% * 34.8496% (0.65   2.26  27.91) =   8.580%  kept
          QD2   LEU   63 - HB    VAL   41  11.09 +/- 0.96   0.005% *  0.1977% (0.42   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  16.82 +/- 1.21   0.000% *  0.3083% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 3.91, residual support = 71.8:
    * O T HA    VAL   41 - QG2   VAL   41   2.59 +/- 0.18  99.943% * 99.2848% (1.00   3.91  71.80) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41   9.36 +/- 0.17   0.049% *  0.3083% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  12.75 +/- 0.28   0.008% *  0.4070% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.97, residual support = 71.8:
    * O T HB    VAL   41 - QG2   VAL   41   2.13 +/- 0.01  99.655% * 95.5417% (0.69   3.97  71.80) =  99.999%  kept
          HG12  ILE  103 - QG2   VAL   41   6.62 +/- 0.56   0.127% *  0.5858% (0.84   0.02   0.02) =   0.001%
          QB    LYS+  33 - QG2   VAL   41   6.41 +/- 0.34   0.142% *  0.2165% (0.31   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   8.82 +/- 0.41   0.021% *  0.3414% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41   8.84 +/- 0.31   0.020% *  0.2883% (0.41   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   8.44 +/- 0.42   0.027% *  0.1228% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  11.62 +/- 0.21   0.004% *  0.3414% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  13.49 +/- 0.26   0.002% *  0.3690% (0.53   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  16.42 +/- 0.42   0.000% *  0.6951% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  18.24 +/- 0.62   0.000% *  0.6951% (0.99   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  14.83 +/- 0.39   0.001% *  0.1749% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  18.55 +/- 0.47   0.000% *  0.3144% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  16.87 +/- 0.63   0.000% *  0.1388% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  19.44 +/- 0.31   0.000% *  0.1749% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.992, support = 3.61, residual support = 62.0:
    * O T QG1   VAL   41 - QG2   VAL   41   2.09 +/- 0.02  67.209% * 67.4967% (1.00   3.90  71.80) =  85.806%  kept
          QG1   VAL   43 - QG2   VAL   41   2.51 +/- 0.15  23.849% * 31.3961% (0.95   1.92   3.09) =  14.163%  kept
          HG    LEU   31 - QG2   VAL   41   4.36 +/- 1.07   5.089% *  0.2102% (0.61   0.02   0.02) =   0.020%
          QD2   LEU   73 - QG2   VAL   41   3.56 +/- 0.42   3.725% *  0.1554% (0.45   0.02   0.23) =   0.011%
        T QG2   VAL   18 - QG2   VAL   41   8.01 +/- 0.67   0.026% *  0.2648% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   7.07 +/- 0.46   0.049% *  0.1069% (0.31   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG2   VAL   41   7.30 +/- 0.54   0.044% *  0.0686% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  10.01 +/- 0.41   0.006% *  0.2242% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  11.21 +/- 0.20   0.003% *  0.0771% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 0.867, support = 4.2, residual support = 87.7:
    * O T HB    VAL   42 - HA    VAL   42   2.97 +/- 0.18  96.600% * 95.0141% (0.87   4.20  87.70) =  99.986%  kept
          QB    LEU   98 - HA    VAL   42   5.76 +/- 0.27   1.982% *  0.3982% (0.76   0.02   0.43) =   0.009%
          HB3   LEU   73 - HA    VAL   42   6.79 +/- 0.79   0.882% *  0.4172% (0.80   0.02   2.37) =   0.004%
        T HB2   LYS+ 112 - HA    PHE   55   7.90 +/- 0.62   0.317% *  0.0842% (0.16   0.02   0.24) =   0.000%
          HG3   LYS+ 106 - HA    VAL   42   9.62 +/- 0.23   0.088% *  0.2950% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  10.88 +/- 0.23   0.042% *  0.2536% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  11.59 +/- 1.10   0.034% *  0.2336% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  13.68 +/- 1.17   0.012% *  0.4809% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  13.59 +/- 0.76   0.012% *  0.3982% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  13.85 +/- 0.44   0.010% *  0.4519% (0.87   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  19.21 +/- 2.04   0.002% *  0.5028% (0.97   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  18.48 +/- 0.47   0.002% *  0.3579% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.50 +/- 1.16   0.005% *  0.1064% (0.20   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  17.18 +/- 0.43   0.003% *  0.1064% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  18.70 +/- 0.89   0.002% *  0.1608% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  16.47 +/- 0.40   0.003% *  0.0597% (0.11   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.57 +/- 0.31   0.001% *  0.0982% (0.19   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  19.34 +/- 1.08   0.001% *  0.0550% (0.11   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.35 +/- 0.35   0.001% *  0.0937% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  20.84 +/- 0.30   0.001% *  0.0694% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  26.65 +/- 1.53   0.000% *  0.1183% (0.23   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  24.03 +/- 0.46   0.000% *  0.0378% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  29.20 +/- 0.97   0.000% *  0.1132% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.89 +/- 1.11   0.000% *  0.0937% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 87.7:
    * O T QG1   VAL   42 - HA    VAL   42   2.45 +/- 0.20  99.032% * 98.6947% (0.97   4.00  87.70) =  99.999%  kept
          HG2   LYS+ 112 - HA    PHE   55   5.98 +/- 0.91   0.787% *  0.0827% (0.16   0.02   0.24) =   0.001%
        T QB    ALA   64 - HA    VAL   42   7.36 +/- 0.27   0.154% *  0.1012% (0.20   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    PHE   55  11.32 +/- 0.49   0.012% *  0.1201% (0.23   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.79 +/- 0.12   0.002% *  0.5102% (1.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  12.85 +/- 0.31   0.005% *  0.1161% (0.23   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  16.87 +/- 0.70   0.001% *  0.3512% (0.69   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  12.17 +/- 0.15   0.007% *  0.0238% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 87.7:
    * O T QG2   VAL   42 - HA    VAL   42   2.34 +/- 0.18  99.948% * 99.3871% (0.80   4.00  87.70) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   8.75 +/- 0.43   0.049% *  0.4015% (0.65   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  14.68 +/- 0.50   0.002% *  0.1170% (0.19   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  16.65 +/- 0.34   0.001% *  0.0945% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 4.2, residual support = 87.7:
    * O T HA    VAL   42 - HB    VAL   42   2.97 +/- 0.18  98.690% * 97.3368% (0.87   4.20  87.70) =  99.998%  kept
          HA    ALA  110 - HB2   LYS+ 112   6.67 +/- 0.31   0.844% *  0.0908% (0.17   0.02   0.02) =   0.001%
        T HA    PHE   55 - HB2   LYS+ 112   7.90 +/- 0.62   0.325% *  0.1850% (0.35   0.02   0.24) =   0.001%
          HA    GLN   17 - HB    VAL   42   9.60 +/- 0.49   0.097% *  0.2808% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  13.32 +/- 0.43   0.013% *  0.2436% (0.46   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.96 +/- 0.65   0.007% *  0.2808% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  14.38 +/- 0.49   0.008% *  0.1719% (0.32   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  14.04 +/- 0.54   0.009% *  0.1287% (0.24   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  17.18 +/- 0.43   0.003% *  0.2621% (0.49   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  18.48 +/- 0.47   0.002% *  0.3267% (0.61   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.57 +/- 0.79   0.001% *  0.1226% (0.23   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  21.44 +/- 0.62   0.001% *  0.1738% (0.33   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  22.55 +/- 0.77   0.001% *  0.1982% (0.37   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  32.98 +/- 0.51   0.000% *  0.1982% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.782, support = 4.54, residual support = 107.3:
    * O T QG1   VAL   42 - HB    VAL   42   2.11 +/- 0.01  83.613% * 54.8877% (0.84   4.20  87.70) =  86.730%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.80 +/- 0.14  15.889% * 44.1906% (0.42   6.74 235.38) =  13.269%  kept
          QB    ALA   64 - HB    VAL   42   5.02 +/- 0.31   0.494% *  0.0535% (0.17   0.02   0.02) =   0.001%
        T QG1   VAL   42 - HB2   LYS+ 112  13.67 +/- 0.53   0.001% *  0.1842% (0.59   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  14.02 +/- 0.51   0.001% *  0.1905% (0.61   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  14.88 +/- 0.32   0.001% *  0.2699% (0.87   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  16.68 +/- 0.83   0.000% *  0.1858% (0.60   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  15.18 +/- 0.50   0.001% *  0.0378% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.16, residual support = 87.7:
    * O T QG2   VAL   42 - HB    VAL   42   2.13 +/- 0.01  99.982% * 99.0090% (0.69   4.16  87.70) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   9.07 +/- 0.37   0.017% *  0.3842% (0.56   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.17 +/- 0.46   0.001% *  0.3356% (0.49   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  18.78 +/- 0.52   0.000% *  0.2712% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.837, support = 4.2, residual support = 87.7:
    * O T HB    VAL   42 - QG1   VAL   42   2.11 +/- 0.01  99.561% * 92.4573% (0.84   4.20  87.70) =  99.998%  kept
          HB3   LEU   73 - QG1   VAL   42   6.14 +/- 0.63   0.243% *  0.4059% (0.77   0.02   2.37) =   0.001%
          QB    LEU   98 - QG1   VAL   42   6.96 +/- 0.35   0.082% *  0.3874% (0.74   0.02   0.43) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   8.04 +/- 0.53   0.037% *  0.2468% (0.47   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42   9.50 +/- 0.54   0.013% *  0.4398% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   9.00 +/- 0.53   0.018% *  0.2870% (0.55   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42   9.47 +/- 0.97   0.015% *  0.2273% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.23 +/- 0.33   0.008% *  0.2131% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47   9.62 +/- 0.43   0.012% *  0.1351% (0.26   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  12.72 +/- 1.03   0.002% *  0.4680% (0.89   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  12.63 +/- 0.55   0.002% *  0.3506% (0.67   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  13.45 +/- 0.70   0.002% *  0.3874% (0.74   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  13.67 +/- 0.53   0.001% *  0.3482% (0.66   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  15.82 +/- 1.53   0.001% *  0.4893% (0.93   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  14.02 +/- 0.51   0.001% *  0.3007% (0.57   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  14.88 +/- 0.32   0.001% *  0.3798% (0.72   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  16.27 +/- 0.25   0.000% *  0.3346% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  17.66 +/- 0.92   0.000% *  0.3798% (0.72   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  15.92 +/- 0.75   0.001% *  0.1565% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  17.61 +/- 0.21   0.000% *  0.2479% (0.47   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.40 +/- 1.94   0.000% *  0.4225% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.69 +/- 0.48   0.000% *  0.4041% (0.77   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  20.46 +/- 0.79   0.000% *  0.1963% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  24.10 +/- 0.77   0.000% *  0.3346% (0.64   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.773, support = 4.0, residual support = 87.7:
    * O T QG2   VAL   42 - QG1   VAL   42   2.04 +/- 0.05  99.935% * 98.8293% (0.77   4.00  87.70) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   7.51 +/- 0.43   0.045% *  0.3992% (0.62   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   8.52 +/- 0.19   0.019% *  0.3448% (0.54   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  13.34 +/- 0.47   0.001% *  0.4267% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 87.7:
    * O T HA    VAL   42 - QG2   VAL   42   2.34 +/- 0.18  99.930% * 98.5422% (0.80   4.00  87.70) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   8.99 +/- 0.53   0.047% *  0.2988% (0.49   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  12.16 +/- 0.54   0.008% *  0.2592% (0.42   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.26 +/- 0.42   0.005% *  0.2988% (0.49   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  11.77 +/- 0.39   0.007% *  0.1370% (0.22   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  14.68 +/- 0.50   0.002% *  0.2790% (0.45   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  18.85 +/- 0.62   0.000% *  0.1849% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.695, support = 4.16, residual support = 87.7:
    * O T HB    VAL   42 - QG2   VAL   42   2.13 +/- 0.01  99.560% * 95.9706% (0.69   4.16  87.70) =  99.998%  kept
          QB    LEU   98 - QG2   VAL   42   6.04 +/- 0.32   0.202% *  0.4062% (0.61   0.02   0.43) =   0.001%
          HB3   LEU   73 - QG2   VAL   42   7.16 +/- 1.00   0.153% *  0.4256% (0.64   0.02   2.37) =   0.001%
          HD3   LYS+ 121 - QG2   VAL   42   8.76 +/- 1.12   0.028% *  0.2383% (0.36   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   8.89 +/- 0.51   0.020% *  0.3009% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42   9.75 +/- 0.45   0.011% *  0.4610% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42   9.72 +/- 0.85   0.016% *  0.2587% (0.39   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  11.63 +/- 1.15   0.005% *  0.4906% (0.74   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  12.02 +/- 0.88   0.003% *  0.4062% (0.61   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  15.18 +/- 1.50   0.001% *  0.5129% (0.77   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.17 +/- 0.46   0.001% *  0.3651% (0.55   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  17.64 +/- 0.92   0.000% *  0.1640% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 87.7:
    * O T QG1   VAL   42 - QG2   VAL   42   2.04 +/- 0.05  99.360% * 99.0341% (0.77   4.00  87.70) =  99.999%  kept
          QB    ALA   64 - QG2   VAL   42   4.92 +/- 0.50   0.638% *  0.1015% (0.16   0.02   0.02) =   0.001%
        T QB    ALA   47 - QG2   VAL   42  13.34 +/- 0.47   0.001% *  0.5120% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  13.75 +/- 0.69   0.001% *  0.3524% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.3:
    * O T HB    VAL   43 - HA    VAL   43   3.01 +/- 0.02  99.964% * 98.4444% (0.97   3.30  60.32) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.51 +/- 0.54   0.020% *  0.6172% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  13.37 +/- 0.54   0.014% *  0.3254% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  17.74 +/- 0.84   0.003% *  0.6131% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.897, support = 4.38, residual support = 60.3:
    * O T QG1   VAL   43 - HA    VAL   43   2.49 +/- 0.11  97.391% * 97.9376% (0.90   4.38  60.32) =  99.992%  kept
          QD2   LEU   73 - HA    VAL   43   4.89 +/- 0.12   1.752% *  0.2622% (0.53   0.02   9.21) =   0.005%
          QG1   VAL   41 - HA    VAL   43   6.93 +/- 0.26   0.230% *  0.4939% (0.99   0.02   3.09) =   0.001%
          QG2   VAL   18 - HA    VAL   43   6.90 +/- 0.97   0.313% *  0.3423% (0.69   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    VAL   43   7.55 +/- 0.41   0.135% *  0.2821% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   8.17 +/- 0.58   0.087% *  0.3423% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   8.79 +/- 0.20   0.053% *  0.1243% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43   9.86 +/- 0.27   0.026% *  0.1385% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.33 +/- 0.63   0.013% *  0.0769% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 60.3:
    * O T QG2   VAL   43 - HA    VAL   43   2.29 +/- 0.15  99.481% * 99.0348% (0.69   3.00  60.32) =  99.996%  kept
        T QD2   LEU   31 - HA    VAL   43   5.60 +/- 0.16   0.517% *  0.6979% (0.73   0.02   0.02) =   0.004%
          QG2   VAL   83 - HA    VAL   43  13.47 +/- 0.70   0.003% *  0.2672% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.3:
    * O T HA    VAL   43 - HB    VAL   43   3.01 +/- 0.02  99.942% * 98.8491% (0.97   3.30  60.32) = 100.000%  kept
          HA    HIS   22 - HB    VAL   43  13.59 +/- 0.64   0.012% *  0.4799% (0.77   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    VAL   43  11.07 +/- 0.32   0.042% *  0.1334% (0.21   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.49 +/- 0.41   0.004% *  0.5375% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 3.74, residual support = 60.3:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.01  99.738% * 97.5921% (0.87   3.74  60.32) =  99.999%  kept
        T QG1   VAL   41 - HB    VAL   43   6.97 +/- 0.29   0.085% *  0.5766% (0.96   0.02   3.09) =   0.001%
          QD2   LEU   73 - HB    VAL   43   6.95 +/- 0.18   0.084% *  0.3061% (0.51   0.02   9.21) =   0.000%
          HG    LEU   31 - HB    VAL   43   8.59 +/- 0.56   0.026% *  0.3996% (0.66   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   8.64 +/- 0.42   0.024% *  0.3294% (0.55   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   43   9.21 +/- 0.94   0.019% *  0.3996% (0.66   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43   9.75 +/- 0.28   0.011% *  0.1618% (0.27   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  11.03 +/- 0.21   0.005% *  0.1451% (0.24   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  10.39 +/- 0.58   0.008% *  0.0898% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 2.89, residual support = 60.3:
    * O T QG2   VAL   43 - HB    VAL   43   2.13 +/- 0.01  99.844% * 98.9989% (0.66   2.89  60.32) =  99.999%  kept
        T QD2   LEU   31 - HB    VAL   43   6.30 +/- 0.26   0.154% *  0.7240% (0.70   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB    VAL   43  12.43 +/- 0.93   0.003% *  0.2772% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 4.38, residual support = 60.3:
    * O T HA    VAL   43 - QG1   VAL   43   2.49 +/- 0.11  99.885% * 99.1314% (0.90   4.38  60.32) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   7.96 +/- 0.33   0.095% *  0.1007% (0.20   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43  10.93 +/- 0.29   0.014% *  0.3622% (0.72   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.63 +/- 0.28   0.006% *  0.4057% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.866, support = 3.74, residual support = 60.3:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.01  99.980% * 98.6259% (0.87   3.74  60.32) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.10 +/- 0.46   0.018% *  0.5451% (0.89   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  12.86 +/- 0.56   0.002% *  0.2875% (0.47   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  15.46 +/- 0.61   0.001% *  0.5415% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 3.86, residual support = 60.3:
    * O T QG2   VAL   43 - QG1   VAL   43   2.09 +/- 0.02  95.488% * 99.2493% (0.62   3.87  60.32) =  99.974%  kept
        T QD2   LEU   31 - QG1   VAL   43   3.57 +/- 0.31   4.506% *  0.5428% (0.65   0.02   0.02) =   0.026%
          QG2   VAL   83 - QG1   VAL   43  10.68 +/- 0.67   0.006% *  0.2078% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.3:
    * O T HB    VAL   43 - QG2   VAL   43   2.13 +/- 0.01  99.828% * 97.5434% (0.66   2.89  60.32) = 100.000%  kept
        T HB    VAL   43 - QD2   LEU   31   6.30 +/- 0.26   0.154% *  0.1936% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   43  11.54 +/- 0.43   0.004% *  0.6976% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  10.59 +/- 0.67   0.007% *  0.2002% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  13.39 +/- 0.63   0.002% *  0.6930% (0.68   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  13.17 +/- 0.53   0.002% *  0.3679% (0.36   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  12.51 +/- 0.86   0.003% *  0.1055% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  15.95 +/- 0.49   0.001% *  0.1988% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.509, support = 4.24, residual support = 97.4:
    * O T QG1   VAL   43 - QG2   VAL   43   2.09 +/- 0.02  47.768% * 74.2758% (0.62   3.87  60.32) =  77.725%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.13 +/- 0.00  43.388% * 23.4160% (0.14   5.55 226.85) =  22.256%  kept
          QD2   LEU   73 - QD2   LEU   31   3.16 +/- 0.12   4.190% *  0.0647% (0.10   0.02   5.09) =   0.006%
        T QG1   VAL   43 - QD2   LEU   31   3.57 +/- 0.31   2.253% *  0.1103% (0.18   0.02   0.02) =   0.005%
          QG1   VAL   41 - QD2   LEU   31   4.19 +/- 0.60   1.826% *  0.1219% (0.20   0.02   0.02) =   0.005%
          QD2   LEU   73 - QG2   VAL   43   5.22 +/- 0.17   0.202% *  0.2254% (0.36   0.02   9.21) =   0.001%
          QG1   VAL   41 - QG2   VAL   43   6.53 +/- 0.36   0.055% *  0.4247% (0.68   0.02   3.09) =   0.001%
          QG2   THR   46 - QG2   VAL   43   6.23 +/- 0.37   0.075% *  0.2426% (0.39   0.02   0.02) =   0.000%
        T HG    LEU   31 - QG2   VAL   43   6.36 +/- 0.15   0.062% *  0.2943% (0.47   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   7.31 +/- 0.83   0.034% *  0.2943% (0.47   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   5.89 +/- 0.26   0.101% *  0.0307% (0.05   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.36 +/- 0.28   0.012% *  0.1068% (0.17   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43   8.74 +/- 0.31   0.009% *  0.1191% (0.19   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   8.65 +/- 0.63   0.011% *  0.0845% (0.14   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31   9.84 +/- 0.34   0.005% *  0.0696% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43  10.15 +/- 0.55   0.004% *  0.0661% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.06 +/- 0.77   0.005% *  0.0190% (0.03   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  12.91 +/- 0.21   0.001% *  0.0342% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 2.67, residual support = 34.9:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.88 +/- 0.18  99.557% * 95.9524% (1.00   2.67  34.90) =  99.997%  kept
          HB3   PHE   72 - HA    ASP-  44   7.68 +/- 0.70   0.358% *  0.7043% (0.98   0.02   0.02) =   0.003%
          HG12  ILE  119 - HA    ASP-  44  11.05 +/- 0.47   0.033% *  0.4648% (0.65   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  11.68 +/- 1.15   0.036% *  0.1422% (0.20   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  14.72 +/- 0.78   0.006% *  0.6797% (0.95   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.48 +/- 1.04   0.005% *  0.7043% (0.98   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  18.47 +/- 1.40   0.002% *  0.7169% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  16.64 +/- 0.28   0.003% *  0.1998% (0.28   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  25.60 +/- 2.08   0.000% *  0.4358% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 34.9:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.58 +/- 0.30  99.233% * 95.3685% (1.00   3.30  34.90) =  99.996%  kept
          HB3   PRO   93 - HA    ASP-  44   6.54 +/- 0.77   0.557% *  0.4411% (0.76   0.02   0.02) =   0.003%
          HB2   LEU   63 - HA    ASP-  44   8.13 +/- 0.27   0.126% *  0.5658% (0.98   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    ASP-  44  10.58 +/- 1.51   0.038% *  0.5177% (0.90   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASP-  44  12.59 +/- 0.25   0.009% *  0.4622% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  12.75 +/- 0.61   0.008% *  0.4192% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  14.05 +/- 0.80   0.005% *  0.5329% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  14.18 +/- 0.33   0.005% *  0.4622% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  12.15 +/- 0.22   0.012% *  0.1285% (0.22   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  17.78 +/- 0.55   0.001% *  0.5571% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.27 +/- 0.46   0.002% *  0.2588% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  14.62 +/- 0.45   0.004% *  0.0891% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.49 +/- 0.89   0.001% *  0.1969% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 2.67, residual support = 34.9:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.88 +/- 0.18  99.280% * 95.0497% (1.00   2.67  34.90) =  99.999%  kept
          HA    ALA   57 - HB2   ASP-  44   6.79 +/- 0.41   0.650% *  0.1246% (0.18   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   ASP-  44  11.01 +/- 0.68   0.038% *  0.7054% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  13.24 +/- 0.71   0.012% *  0.4317% (0.61   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  14.51 +/- 0.63   0.006% *  0.6733% (0.95   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  14.90 +/- 0.79   0.006% *  0.2926% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  16.77 +/- 0.72   0.003% *  0.3745% (0.53   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  20.27 +/- 0.56   0.001% *  0.7054% (0.99   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  17.79 +/- 1.52   0.002% *  0.2671% (0.38   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.53 +/- 2.07   0.000% *  0.3464% (0.49   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  26.61 +/- 1.99   0.000% *  0.7102% (1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  22.99 +/- 0.51   0.000% *  0.3191% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 2.27, residual support = 34.9:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.966% * 93.4110% (1.00   2.27  34.90) = 100.000%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.77 +/- 0.70   0.016% *  0.8050% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  44   7.95 +/- 0.83   0.015% *  0.6276% (0.76   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  12.06 +/- 1.64   0.001% *  0.7365% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  13.09 +/- 0.46   0.001% *  0.6576% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  14.31 +/- 0.74   0.000% *  0.7581% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.18 +/- 0.50   0.000% *  0.6576% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  15.03 +/- 0.53   0.000% *  0.5963% (0.73   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.39 +/- 0.79   0.000% *  0.7925% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  14.58 +/- 0.64   0.000% *  0.1828% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.96 +/- 0.75   0.000% *  0.3682% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  15.81 +/- 0.50   0.000% *  0.1267% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.78 +/- 1.44   0.000% *  0.2801% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 3.3, residual support = 34.9:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.58 +/- 0.30  99.580% * 95.9602% (1.00   3.30  34.90) =  99.999%  kept
          HA    ALA   57 - HB3   ASP-  44   6.64 +/- 0.51   0.382% *  0.1017% (0.18   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  11.43 +/- 0.48   0.019% *  0.5757% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  13.97 +/- 0.93   0.007% *  0.3523% (0.61   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  14.08 +/- 0.51   0.004% *  0.5494% (0.95   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.05 +/- 0.74   0.003% *  0.2388% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.52 +/- 0.60   0.002% *  0.3056% (0.53   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  20.74 +/- 0.64   0.001% *  0.5757% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  18.00 +/- 1.50   0.001% *  0.2180% (0.38   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  23.72 +/- 1.97   0.000% *  0.2827% (0.49   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  26.77 +/- 1.94   0.000% *  0.5795% (1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  23.41 +/- 0.62   0.000% *  0.2604% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 2.27, residual support = 34.9:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.889% * 95.2810% (1.00   2.27  34.90) =  99.999%  kept
          HB3   PHE   72 - HB3   ASP-  44   6.08 +/- 1.00   0.108% *  0.8211% (0.98   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   ASP-  44  11.03 +/- 0.97   0.002% *  0.5419% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.09 +/- 1.27   0.000% *  0.8211% (0.98   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  15.66 +/- 0.97   0.000% *  0.7924% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  16.84 +/- 1.31   0.000% *  0.8358% (1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  13.31 +/- 1.28   0.001% *  0.1658% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  16.14 +/- 0.84   0.000% *  0.2329% (0.28   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  23.95 +/- 2.03   0.000% *  0.5081% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 77.1:
    * O T HB2   PHE   45 - HA    PHE   45   3.07 +/- 0.00  99.729% * 99.2086% (1.00   3.31  77.07) =  99.999%  kept
          HB2   CYS   21 - HA    PHE   45   8.35 +/- 0.49   0.263% *  0.2248% (0.38   0.02   0.02) =   0.001%
          QE    LYS+ 111 - HA    PHE   45  14.75 +/- 0.46   0.008% *  0.5666% (0.95   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.1:
    * O T HB3   PHE   45 - HA    PHE   45   2.65 +/- 0.02  99.961% * 98.3890% (1.00   4.00  77.07) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  10.61 +/- 0.78   0.026% *  0.3760% (0.76   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  13.27 +/- 0.70   0.007% *  0.4919% (1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  17.53 +/- 0.37   0.001% *  0.3182% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  17.29 +/- 0.55   0.001% *  0.2395% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  16.01 +/- 0.21   0.002% *  0.0759% (0.15   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  17.63 +/- 0.91   0.001% *  0.1095% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.89 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 = 77.1:
    * O T HA    PHE   45 - HB2   PHE   45   3.07 +/- 0.00  99.982% * 99.4859% (1.00   3.31  77.07) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.16 +/- 0.10   0.016% *  0.3643% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  18.76 +/- 0.34   0.002% *  0.1498% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 77.1:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.988% * 98.0611% (1.00   3.31  77.07) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   8.21 +/- 0.73   0.011% *  0.4525% (0.76   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  12.21 +/- 0.75   0.001% *  0.5921% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  17.15 +/- 0.87   0.000% *  0.2882% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.53 +/- 0.38   0.000% *  0.3830% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.99 +/- 0.30   0.000% *  0.0914% (0.15   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  18.63 +/- 0.90   0.000% *  0.1318% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.1:
    * O T HA    PHE   45 - HB3   PHE   45   2.65 +/- 0.02  99.995% * 99.5739% (1.00   4.00  77.07) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.21 +/- 0.09   0.004% *  0.3020% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.43 +/- 0.33   0.000% *  0.1241% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 77.1:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.997% * 99.2086% (1.00   3.31  77.07) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  10.54 +/- 0.40   0.002% *  0.2248% (0.38   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  13.30 +/- 0.56   0.001% *  0.5666% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 3.0, residual support = 34.5:
    * O T HB    THR   46 - HA    THR   46   2.52 +/- 0.09  99.994% * 96.3983% (1.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.34 +/- 0.23   0.005% *  0.4158% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  19.02 +/- 0.60   0.001% *  0.5712% (0.89   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  19.84 +/- 0.43   0.000% *  0.5764% (0.90   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  20.79 +/- 1.51   0.000% *  0.3489% (0.54   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  25.47 +/- 0.71   0.000% *  0.6369% (0.99   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  24.71 +/- 1.59   0.000% *  0.3890% (0.61   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  30.11 +/- 0.47   0.000% *  0.4120% (0.64   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  30.70 +/- 1.41   0.000% *  0.2516% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 34.5:
    * O T QG2   THR   46 - HA    THR   46   3.22 +/- 0.02  98.590% * 92.3982% (1.00   3.00  34.52) =  99.994%  kept
          QG1   VAL   41 - HA    SER   37   8.03 +/- 0.48   0.444% *  0.3948% (0.64   0.02   0.02) =   0.002%
          QD1   ILE   19 - HA    SER   13   9.92 +/- 1.90   0.491% *  0.3114% (0.51   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    THR   46   9.89 +/- 0.89   0.135% *  0.6038% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    THR   46   9.98 +/- 0.13   0.112% *  0.5145% (0.84   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    SER   37  11.85 +/- 1.04   0.054% *  0.5098% (0.83   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  11.74 +/- 0.64   0.045% *  0.4193% (0.68   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.09 +/- 0.40   0.022% *  0.5098% (0.83   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  12.99 +/- 1.05   0.027% *  0.3654% (0.59   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  14.31 +/- 0.36   0.013% *  0.5145% (0.84   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  16.00 +/- 0.65   0.007% *  0.5983% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.13 +/- 0.26   0.009% *  0.3985% (0.65   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.31 +/- 0.98   0.023% *  0.0942% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  16.01 +/- 1.42   0.008% *  0.2412% (0.39   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  18.15 +/- 0.52   0.003% *  0.4231% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  17.83 +/- 1.36   0.004% *  0.3114% (0.51   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  19.67 +/- 1.48   0.002% *  0.3728% (0.61   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  20.99 +/- 0.47   0.001% *  0.6103% (0.99   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  16.30 +/- 0.47   0.006% *  0.0950% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  20.53 +/- 1.37   0.002% *  0.2561% (0.42   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  20.47 +/- 2.51   0.002% *  0.0575% (0.09   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 = 3.0, residual support = 34.5:
    * O T HA    THR   46 - HB    THR   46   2.52 +/- 0.09  99.968% * 96.8631% (1.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  10.59 +/- 0.34   0.019% *  0.3917% (0.61   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  12.02 +/- 0.21   0.009% *  0.3398% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  14.71 +/- 0.78   0.003% *  0.6401% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  18.95 +/- 0.50   0.001% *  0.4178% (0.65   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.43 +/- 0.20   0.001% *  0.2896% (0.45   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  25.47 +/- 0.71   0.000% *  0.6401% (0.99   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  24.71 +/- 1.59   0.000% *  0.4178% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.02  99.932% * 97.3149% (1.00   3.00  34.52) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   7.97 +/- 0.90   0.049% *  0.6359% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46   9.48 +/- 0.20   0.014% *  0.5419% (0.84   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  13.05 +/- 0.50   0.002% *  0.5419% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.32 +/- 0.29   0.001% *  0.4197% (0.65   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  17.41 +/- 0.52   0.000% *  0.4456% (0.69   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  15.87 +/- 0.50   0.001% *  0.1001% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 34.5:
    * O T HA    THR   46 - QG2   THR   46   3.22 +/- 0.02  99.666% * 96.8635% (1.00   3.00  34.52) =  99.999%  kept
          HA    PRO   58 - QG2   THR   46   9.34 +/- 0.57   0.182% *  0.3917% (0.61   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   THR   46  11.67 +/- 0.61   0.047% *  0.6400% (0.99   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  10.55 +/- 0.41   0.084% *  0.3397% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  15.04 +/- 0.47   0.010% *  0.4177% (0.65   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  15.72 +/- 0.44   0.008% *  0.2895% (0.45   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  19.67 +/- 1.48   0.002% *  0.4177% (0.65   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  20.99 +/- 0.47   0.001% *  0.6400% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 34.5:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.02  99.996% * 98.9813% (1.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  12.37 +/- 0.57   0.003% *  0.4269% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  15.85 +/- 0.58   0.001% *  0.5918% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 10.3:
    * O T QB    ALA   47 - HA    ALA   47   2.13 +/- 0.01  99.996% * 98.2324% (0.95   2.00  10.27) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  12.66 +/- 0.40   0.002% *  0.9008% (0.87   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  13.79 +/- 0.27   0.001% *  0.3205% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  16.47 +/- 0.81   0.000% *  0.5463% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.835, support = 2.37, residual support = 10.2:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.01  75.254% * 53.0797% (0.95   2.00  10.27) =  78.824%  kept
          HA    CYS   50 - QB    ALA   47   2.69 +/- 0.39  24.046% * 44.6221% (0.42   3.75   9.97) =  21.174%  kept
          HA    TRP   49 - QB    ALA   47   4.71 +/- 0.08   0.658% *  0.1476% (0.26   0.02  15.46) =   0.002%
          HA1   GLY  109 - QB    ALA   47   8.62 +/- 0.24   0.017% *  0.2182% (0.39   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42   9.77 +/- 0.57   0.008% *  0.3985% (0.71   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    ALA   47  11.36 +/- 0.38   0.003% *  0.5203% (0.93   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  10.90 +/- 0.61   0.004% *  0.1671% (0.30   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  12.66 +/- 0.40   0.002% *  0.4066% (0.72   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.27 +/- 0.58   0.004% *  0.0627% (0.11   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  14.26 +/- 1.02   0.001% *  0.1823% (0.32   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  12.80 +/- 0.23   0.002% *  0.0819% (0.15   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  16.61 +/- 0.52   0.000% *  0.1130% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 1.9, residual support = 9.74:
    * O T QB    SER   48 - HA    SER   48   2.29 +/- 0.07  99.127% * 89.4878% (1.00   1.90   9.74) =  99.997%  kept
        T QB    SER   85 - HB2   SER   82   5.21 +/- 0.16   0.735% *  0.2514% (0.27   0.02   2.00) =   0.002%
          HA2   GLY   51 - HA    SER   48   8.46 +/- 0.52   0.044% *  0.8455% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70   8.62 +/- 1.23   0.057% *  0.1303% (0.14   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  13.72 +/- 0.28   0.002% *  0.9241% (0.98   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70   9.82 +/- 0.25   0.017% *  0.1130% (0.12   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  12.95 +/- 1.66   0.005% *  0.4145% (0.44   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  13.66 +/- 1.10   0.003% *  0.5718% (0.61   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  15.11 +/- 0.41   0.001% *  0.2032% (0.22   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.65 +/- 0.25   0.006% *  0.0331% (0.04   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  18.40 +/- 1.41   0.000% *  0.4063% (0.43   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  16.25 +/- 0.59   0.001% *  0.1983% (0.21   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  15.46 +/- 0.53   0.001% *  0.1455% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  20.03 +/- 0.66   0.000% *  0.4960% (0.53   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  18.18 +/- 0.32   0.000% *  0.2105% (0.22   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  22.29 +/- 0.86   0.000% *  0.5718% (0.61   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  22.66 +/- 0.56   0.000% *  0.6099% (0.65   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  18.10 +/- 0.56   0.000% *  0.1389% (0.15   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  22.39 +/- 1.25   0.000% *  0.3717% (0.39   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  26.29 +/- 0.85   0.000% *  0.8703% (0.92   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  27.44 +/- 0.59   0.000% *  0.8918% (0.95   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  21.79 +/- 0.74   0.000% *  0.2148% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  26.77 +/- 0.41   0.000% *  0.1926% (0.20   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  30.18 +/- 1.17   0.000% *  0.2682% (0.28   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  28.38 +/- 0.42   0.000% *  0.1303% (0.14   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  32.04 +/- 0.66   0.000% *  0.2514% (0.27   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  31.51 +/- 0.73   0.000% *  0.2181% (0.23   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  35.76 +/- 1.04   0.000% *  0.3921% (0.42   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  26.50 +/- 0.53   0.000% *  0.0640% (0.07   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  36.62 +/- 0.79   0.000% *  0.3826% (0.41   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 = 1.0, support = 4.11, residual support = 86.6:
    * O T HB2   TRP   49 - HA    TRP   49   2.49 +/- 0.08  98.573% * 96.0500% (1.00   4.11  86.62) =  99.993%  kept
        T HB2   TRP   49 - HA    CYS   50   5.22 +/- 0.46   1.399% *  0.4406% (0.94   0.02   2.77) =   0.007%
        T HA2   GLY  109 - HA    CYS   50  11.90 +/- 0.54   0.009% *  0.3528% (0.75   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  13.30 +/- 0.44   0.004% *  0.4168% (0.89   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  14.74 +/- 0.85   0.003% *  0.4422% (0.95   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  16.64 +/- 0.57   0.001% *  0.3743% (0.80   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  12.64 +/- 1.00   0.007% *  0.0596% (0.13   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  13.36 +/- 0.47   0.004% *  0.0633% (0.14   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  20.34 +/- 0.87   0.000% *  0.4367% (0.93   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  21.84 +/- 0.72   0.000% *  0.4367% (0.93   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  23.86 +/- 0.43   0.000% *  0.4634% (0.99   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  25.88 +/- 0.30   0.000% *  0.4634% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.835, support = 4.11, residual support = 86.6:
    * O T HB3   TRP   49 - HA    TRP   49   2.36 +/- 0.07  99.563% * 98.6532% (0.84   4.11  86.62) =  99.998%  kept
        T HB3   TRP   49 - HA    CYS   50   5.91 +/- 0.18   0.432% *  0.4526% (0.79   0.02   2.77) =   0.002%
          HB3   PHE   59 - HA    CYS   50  13.26 +/- 0.88   0.004% *  0.4339% (0.75   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  16.61 +/- 0.44   0.001% *  0.4603% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 1.0, support = 4.11, residual support = 86.6:
    * O T HA    TRP   49 - HB2   TRP   49   2.49 +/- 0.08  98.447% * 98.0997% (1.00   4.11  86.62) =  99.993%  kept
        T HA    CYS   50 - HB2   TRP   49   5.22 +/- 0.46   1.397% *  0.4517% (0.95   0.02   2.77) =   0.007%
          HA    ALA   47 - HB2   TRP   49   7.34 +/- 0.15   0.154% *  0.1328% (0.28   0.02  15.46) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  15.40 +/- 0.52   0.002% *  0.4608% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  18.68 +/- 0.67   0.001% *  0.4517% (0.95   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  19.12 +/- 0.46   0.001% *  0.0945% (0.20   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  32.18 +/- 0.43   0.000% *  0.3089% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 3.0, residual support = 86.6:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.3650% (0.84   3.00  86.62) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  18.00 +/- 0.65   0.000% *  0.6350% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.835, support = 4.11, residual support = 86.6:
    * O T HA    TRP   49 - HB3   TRP   49   2.36 +/- 0.07  99.420% * 98.0997% (0.84   4.11  86.62) =  99.998%  kept
        T HA    CYS   50 - HB3   TRP   49   5.91 +/- 0.18   0.431% *  0.4517% (0.79   0.02   2.77) =   0.002%
          HA    ALA   47 - HB3   TRP   49   7.04 +/- 0.30   0.147% *  0.1328% (0.23   0.02  15.46) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  15.96 +/- 0.55   0.001% *  0.4608% (0.81   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  17.80 +/- 0.67   0.001% *  0.4517% (0.79   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  19.54 +/- 0.47   0.000% *  0.0945% (0.17   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  32.09 +/- 0.33   0.000% *  0.3089% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 3.0, residual support = 86.6:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.999% * 97.4885% (0.84   3.00  86.62) = 100.000%  kept
          HA    ALA   84 - HB3   TRP   49  13.78 +/- 1.15   0.001% *  0.6148% (0.79   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  17.20 +/- 0.77   0.000% *  0.5204% (0.67   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  13.97 +/- 0.50   0.000% *  0.0880% (0.11   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  25.44 +/- 0.72   0.000% *  0.6442% (0.83   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  27.22 +/- 0.63   0.000% *  0.6442% (0.83   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 1.0, support = 1.59, residual support = 7.0:
    * O T QB    CYS   50 - HA    CYS   50   2.34 +/- 0.17  98.486% * 93.2519% (1.00   1.59   7.00) =  99.984%  kept
        T QB    CYS   50 - HA    TRP   49   4.96 +/- 0.14   1.230% *  1.1040% (0.94   0.02   2.77) =   0.015%
          HB3   ASP-  78 - HA    TRP   49   7.26 +/- 0.70   0.163% *  0.3766% (0.32   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    CYS   50   7.75 +/- 0.70   0.093% *  0.3995% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    CYS   50  10.25 +/- 1.41   0.018% *  1.1686% (1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  11.46 +/- 1.24   0.009% *  1.1015% (0.94   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  17.46 +/- 1.70   0.001% *  0.3995% (0.34   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  19.16 +/- 1.18   0.000% *  0.3766% (0.32   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  28.96 +/- 1.48   0.000% *  0.9379% (0.80   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  30.77 +/- 0.92   0.000% *  0.8840% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 1.0, support = 1.59, residual support = 7.0:
    * O T HA    CYS   50 - QB    CYS   50   2.34 +/- 0.17  95.493% * 95.2366% (1.00   1.59   7.00) =  99.965%  kept
          HA    ALA   47 - QB    CYS   50   4.33 +/- 0.42   3.289% *  0.5363% (0.45   0.02   9.97) =   0.019%
        T HA    TRP   49 - QB    CYS   50   4.96 +/- 0.14   1.184% *  1.1315% (0.95   0.02   2.77) =   0.015%
          HA1   GLY  109 - QB    CYS   50   9.40 +/- 0.65   0.027% *  1.1935% (1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  14.04 +/- 0.74   0.002% *  0.9578% (0.80   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  12.52 +/- 0.60   0.005% *  0.4080% (0.34   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.87 +/- 0.36   0.000% *  0.5363% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 7.2, residual support = 213.7:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  95.867% * 99.5357% (1.00   7.20 213.75) =  99.996%  kept
          HA    ALA   91 - HD2   PRO   52   7.52 +/- 1.28   3.933% *  0.0853% (0.31   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HD2   PRO   52  11.48 +/- 0.52   0.174% *  0.1788% (0.65   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  15.96 +/- 0.50   0.023% *  0.0547% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  21.70 +/- 0.62   0.004% *  0.1454% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 213.7:
    * O T HB2   PRO   52 - HD2   PRO   52   4.04 +/- 0.00  99.973% * 99.7167% (1.00   6.63 213.75) = 100.000%  kept
          HB2   ASP-  62 - HD2   PRO   52  17.16 +/- 0.38   0.017% *  0.1703% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HD2   PRO   52  18.91 +/- 0.81   0.010% *  0.1129% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 1.0, support = 6.71, residual support = 213.7:
    * O T HB3   PRO   52 - HD2   PRO   52   3.85 +/- 0.00  90.464% * 98.2813% (1.00   6.71 213.75) =  99.990%  kept
          HG2   PRO   93 - HD2   PRO   52   6.16 +/- 0.64   6.868% *  0.0904% (0.31   0.02   0.02) =   0.007%
          HG2   ARG+  54 - HD2   PRO   52   7.53 +/- 0.28   1.658% *  0.1099% (0.38   0.02   0.02) =   0.002%
          HB3   GLN   90 - HD2   PRO   52   9.07 +/- 1.46   0.957% *  0.0580% (0.20   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HD2   PRO   52  15.07 +/- 1.41   0.033% *  0.0452% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  19.65 +/- 0.30   0.005% *  0.1658% (0.57   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  23.04 +/- 0.67   0.002% *  0.2929% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  23.11 +/- 0.83   0.002% *  0.2627% (0.90   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  19.94 +/- 0.58   0.005% *  0.0999% (0.34   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  23.40 +/- 0.75   0.002% *  0.2238% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  24.34 +/- 0.70   0.001% *  0.1204% (0.41   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  25.22 +/- 0.69   0.001% *  0.0730% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  27.89 +/- 0.41   0.001% *  0.1313% (0.45   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.87 +/- 0.50   0.001% *  0.0452% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 6.6, residual support = 213.7:
    * O T HG2   PRO   52 - HD2   PRO   52   2.87 +/- 0.00  97.708% * 98.8264% (1.00   6.60 213.75) =  99.995%  kept
          HG2   MET   92 - HD2   PRO   52   7.80 +/- 2.04   2.268% *  0.1936% (0.65   0.02   0.02) =   0.005%
          QG    GLU- 114 - HD2   PRO   52  13.52 +/- 0.67   0.009% *  0.2174% (0.73   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  14.46 +/- 0.59   0.006% *  0.2397% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  13.64 +/- 0.32   0.009% *  0.0462% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  26.79 +/- 0.77   0.000% *  0.2831% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  33.99 +/- 0.85   0.000% *  0.1936% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 6.6, residual support = 213.7:
    * O T HG3   PRO   52 - HD2   PRO   52   2.30 +/- 0.00  99.714% * 98.8008% (1.00   6.60 213.75) = 100.000%  kept
          HB2   PRO   93 - HD2   PRO   52   6.29 +/- 0.53   0.280% *  0.0924% (0.31   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HD2   PRO   52  12.06 +/- 0.30   0.005% *  0.2992% (1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  20.38 +/- 1.02   0.000% *  0.0462% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  29.55 +/- 1.91   0.000% *  0.2966% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  27.36 +/- 0.55   0.000% *  0.1123% (0.38   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  26.65 +/- 0.55   0.000% *  0.0592% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  37.35 +/- 2.58   0.000% *  0.2933% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 5.12, residual support = 213.7:
    * O T HB2   PRO   52 - HA    PRO   52   2.30 +/- 0.00  99.999% * 99.6334% (1.00   5.12 213.75) = 100.000%  kept
          HB2   ASP-  62 - HA    PRO   52  15.20 +/- 0.58   0.001% *  0.2205% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HA    PRO   52  20.23 +/- 0.75   0.000% *  0.1461% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 213.7:
    * O T HB3   PRO   52 - HA    PRO   52   2.73 +/- 0.00  98.465% * 98.1064% (1.00   6.08 213.75) =  99.998%  kept
          HG2   ARG+  54 - HA    PRO   52   6.06 +/- 0.55   1.114% *  0.1211% (0.38   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    PRO   52   7.25 +/- 0.86   0.404% *  0.0996% (0.31   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  12.86 +/- 1.53   0.013% *  0.0639% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.34 +/- 0.36   0.001% *  0.1827% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  20.95 +/- 0.84   0.001% *  0.3227% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  19.99 +/- 0.67   0.001% *  0.1101% (0.34   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  18.43 +/- 1.40   0.001% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  24.33 +/- 0.84   0.000% *  0.2894% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  24.50 +/- 0.68   0.000% *  0.2466% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  25.38 +/- 0.73   0.000% *  0.1327% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  26.93 +/- 0.35   0.000% *  0.1447% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  26.40 +/- 0.63   0.000% *  0.0805% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  26.56 +/- 0.50   0.000% *  0.0498% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 213.7:
    * O T HG2   PRO   52 - HA    PRO   52   3.88 +/- 0.00  98.691% * 98.7054% (1.00   5.98 213.75) =  99.997%  kept
          HG2   MET   92 - HA    PRO   52  10.57 +/- 2.32   1.030% *  0.2136% (0.65   0.02   0.02) =   0.002%
          QG    GLU- 114 - HA    PRO   52  12.97 +/- 0.84   0.077% *  0.2398% (0.73   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  11.06 +/- 0.42   0.190% *  0.0509% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  17.57 +/- 0.48   0.012% *  0.2644% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  29.77 +/- 0.63   0.000% *  0.3123% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  35.37 +/- 0.83   0.000% *  0.2136% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 0.988, support = 0.0198, residual support = 211.1:
    * O T HG3   PRO   52 - HA    PRO   52   3.97 +/- 0.00  97.455% * 19.9700% (1.00   0.02 213.75) =  98.781%  kept
        T HG2   PRO   58 - HA    PRO   52   9.34 +/- 0.42   0.603% * 19.9700% (1.00   0.02   0.02) =   0.612%
          HB2   PRO   93 - HA    PRO   52   7.84 +/- 0.68   1.937% *  6.1637% (0.31   0.02   0.02) =   0.606%
          HB2   GLU-  14 - HA    PRO   52  29.84 +/- 1.64   0.001% * 19.7933% (0.99   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   52  26.61 +/- 0.54   0.001% *  7.4950% (0.38   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.44 +/- 0.89   0.002% *  3.0813% (0.15   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  37.28 +/- 2.68   0.000% * 19.5746% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.33 +/- 0.45   0.001% *  3.9520% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 20 structures by 0.42 A, eliminated.
    Peak unassigned.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 0.02, residual support = 213.4:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.787% * 15.7342% (1.00   0.02 213.75) =  99.853%  kept
          HA    SER   48 - HA    PRO   52  11.58 +/- 0.61   0.175% * 11.4254% (0.73   0.02   0.02) =   0.127%
          HA    ALA   88 - HA    PRO   52  18.83 +/- 0.89   0.009% * 14.5245% (0.92   0.02   0.02) =   0.009%
          QB    SER   85 - HA    PRO   52  19.62 +/- 0.98   0.007% *  7.6587% (0.49   0.02   0.02) =   0.004%
          HA    LYS+  65 - HA    PRO   52  20.80 +/- 0.28   0.005% *  8.9080% (0.57   0.02   0.02) =   0.003%
          HA    VAL   18 - HA    PRO   52  19.41 +/- 0.58   0.008% *  4.3747% (0.28   0.02   0.02) =   0.002%
          HA    ALA  120 - HA    PRO   52  20.94 +/- 0.57   0.005% *  3.1138% (0.20   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    PRO   52  25.13 +/- 0.80   0.002% *  7.6587% (0.49   0.02   0.02) =   0.001%
          HB2   SER   82 - HA    PRO   52  24.79 +/- 1.05   0.002% *  5.3671% (0.34   0.02   0.02) =   0.001%
          HA    GLN   32 - HA    PRO   52  30.98 +/- 0.64   0.000% * 14.8839% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.09 +/- 0.51   0.001% *  3.9234% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.70 +/- 0.59   0.000% *  2.4277% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 20 structures by 0.32 A, eliminated.
    Peak unassigned.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 213.7:
    * O T HA    PRO   52 - HB2   PRO   52   2.30 +/- 0.00  99.871% * 99.0451% (1.00   5.12 213.75) = 100.000%  kept
          HA    LYS+ 111 - HB2   PRO   52   9.29 +/- 0.89   0.029% *  0.2504% (0.65   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   7.74 +/- 0.74   0.081% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HA    ALA   91 - HB2   PRO   52  10.52 +/- 0.94   0.013% *  0.1195% (0.31   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  14.27 +/- 0.56   0.002% *  0.0598% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  14.91 +/- 0.77   0.001% *  0.0736% (0.19   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  15.47 +/- 0.83   0.001% *  0.0766% (0.20   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.83 +/- 0.49   0.001% *  0.0351% (0.09   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  20.23 +/- 0.75   0.000% *  0.1137% (0.29   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  24.56 +/- 0.67   0.000% *  0.2037% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 1.0, support = 6.06, residual support = 213.7:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  99.141% * 97.4632% (1.00   6.06 213.75) =  99.999%  kept
          HG12  ILE  103 - HG2   MET   96   4.35 +/- 0.63   0.667% *  0.0848% (0.26   0.02   9.12) =   0.001%
          HG2   PRO   93 - HB2   PRO   52   6.58 +/- 0.81   0.052% *  0.0993% (0.31   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   MET   96   5.96 +/- 0.39   0.070% *  0.0389% (0.12   0.02   9.12) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   6.54 +/- 0.60   0.042% *  0.0322% (0.10   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   8.31 +/- 0.57   0.010% *  0.1207% (0.38   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   MET   96   8.86 +/- 1.50   0.011% *  0.0722% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  12.06 +/- 1.48   0.001% *  0.0637% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.40 +/- 0.49   0.004% *  0.0146% (0.05   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.60 +/- 0.41   0.000% *  0.0292% (0.09   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.16 +/- 0.41   0.000% *  0.0535% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  19.27 +/- 0.49   0.000% *  0.1821% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  21.54 +/- 0.95   0.000% *  0.3217% (1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  18.22 +/- 0.92   0.000% *  0.0945% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  14.85 +/- 0.79   0.000% *  0.0236% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  18.65 +/- 0.58   0.000% *  0.0945% (0.29   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  19.83 +/- 0.86   0.000% *  0.1097% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  24.02 +/- 1.02   0.000% *  0.2885% (0.90   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  18.51 +/- 1.44   0.000% *  0.0496% (0.15   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  24.94 +/- 0.91   0.000% *  0.2459% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  20.50 +/- 0.61   0.000% *  0.0424% (0.13   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  24.89 +/- 0.95   0.000% *  0.1323% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.37 +/- 0.46   0.000% *  0.0355% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  19.98 +/- 0.65   0.000% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  28.18 +/- 0.48   0.000% *  0.1442% (0.45   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  19.99 +/- 0.97   0.000% *  0.0146% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  27.16 +/- 0.77   0.000% *  0.0802% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  26.32 +/- 0.72   0.000% *  0.0496% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 6.06, residual support = 213.7:
    * O T HG2   PRO   52 - HB2   PRO   52   2.31 +/- 0.00  99.751% * 98.2605% (1.00   6.06 213.75) =  99.999%  kept
          HG2   MET   92 - HB2   PRO   52   9.33 +/- 2.51   0.223% *  0.2097% (0.65   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   PRO   52  12.14 +/- 0.88   0.005% *  0.2354% (0.73   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  10.47 +/- 0.63   0.012% *  0.0691% (0.21   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  12.70 +/- 0.43   0.004% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  14.42 +/- 1.53   0.002% *  0.0616% (0.19   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  18.15 +/- 0.60   0.000% *  0.2596% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  16.48 +/- 0.75   0.001% *  0.0762% (0.24   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  19.50 +/- 1.01   0.000% *  0.0952% (0.29   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.32 +/- 0.53   0.000% *  0.0901% (0.28   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  19.62 +/- 0.91   0.000% *  0.0616% (0.19   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  30.23 +/- 0.80   0.000% *  0.3066% (0.95   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.98 +/- 0.30   0.000% *  0.0147% (0.05   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  36.01 +/- 0.93   0.000% *  0.2097% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 6.06, residual support = 213.7:
    * O T HG3   PRO   52 - HB2   PRO   52   2.96 +/- 0.00  99.583% * 98.2240% (1.00   6.06 213.75) =  99.999%  kept
          HB2   PRO   93 - HB2   PRO   52   7.88 +/- 0.76   0.336% *  0.1001% (0.31   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HB2   PRO   52  10.61 +/- 0.44   0.048% *  0.3242% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.89 +/- 0.42   0.015% *  0.0294% (0.09   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  17.91 +/- 0.94   0.002% *  0.0952% (0.29   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  18.59 +/- 0.42   0.002% *  0.0952% (0.29   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  14.98 +/- 0.78   0.006% *  0.0188% (0.06   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  15.34 +/- 0.82   0.005% *  0.0147% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.67 +/- 1.95   0.000% *  0.0944% (0.29   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  20.51 +/- 0.55   0.001% *  0.0357% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  31.37 +/- 1.68   0.000% *  0.3213% (0.99   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  23.75 +/- 1.00   0.000% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  27.96 +/- 0.59   0.000% *  0.1217% (0.38   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  28.82 +/- 0.61   0.000% *  0.0642% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  32.01 +/- 2.50   0.000% *  0.0933% (0.29   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  38.96 +/- 2.63   0.000% *  0.3178% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 6.63, residual support = 213.7:
    * O T HD2   PRO   52 - HB2   PRO   52   4.04 +/- 0.00  99.675% * 97.8672% (1.00   6.63 213.75) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  12.77 +/- 0.57   0.104% *  0.2144% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  17.94 +/- 1.08   0.014% *  0.2726% (0.92   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  14.90 +/- 0.91   0.043% *  0.0821% (0.28   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  19.25 +/- 1.11   0.009% *  0.1437% (0.49   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  14.87 +/- 0.47   0.041% *  0.0241% (0.08   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  18.91 +/- 0.81   0.010% *  0.0867% (0.29   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  22.28 +/- 0.37   0.004% *  0.1672% (0.57   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  18.64 +/- 0.55   0.010% *  0.0491% (0.17   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  19.55 +/- 0.28   0.008% *  0.0630% (0.21   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  20.73 +/- 0.63   0.006% *  0.0821% (0.28   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  21.44 +/- 0.73   0.005% *  0.0801% (0.27   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  17.64 +/- 0.59   0.015% *  0.0216% (0.07   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  21.25 +/- 0.67   0.005% *  0.0584% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.35 +/- 0.98   0.006% *  0.0422% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.55 +/- 0.59   0.015% *  0.0172% (0.06   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  20.58 +/- 0.80   0.006% *  0.0422% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  17.43 +/- 0.89   0.016% *  0.0134% (0.05   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  24.69 +/- 1.16   0.002% *  0.1007% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  26.62 +/- 0.80   0.001% *  0.1437% (0.49   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  31.43 +/- 0.83   0.000% *  0.2793% (0.95   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  22.11 +/- 1.40   0.004% *  0.0296% (0.10   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  30.77 +/- 0.68   0.001% *  0.0736% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  32.46 +/- 0.76   0.000% *  0.0456% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.41 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 = 6.08, residual support = 213.7:
    * O T HA    PRO   52 - HB3   PRO   52   2.73 +/- 0.00  99.714% * 99.3506% (1.00   6.08 213.75) = 100.000%  kept
          HA    LYS+ 111 - HB3   PRO   52   8.26 +/- 0.66   0.151% *  0.2114% (0.65   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   PRO   52   9.80 +/- 0.87   0.056% *  0.1009% (0.31   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  11.00 +/- 2.07   0.067% *  0.0116% (0.04   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  13.94 +/- 0.71   0.006% *  0.0647% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  15.75 +/- 0.32   0.003% *  0.0197% (0.06   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.10 +/- 0.72   0.000% *  0.1719% (0.53   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  18.43 +/- 1.40   0.001% *  0.0375% (0.11   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  22.34 +/- 1.24   0.000% *  0.0243% (0.07   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  22.03 +/- 1.32   0.000% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 6.06, residual support = 213.7:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00 100.000% * 99.6172% (1.00   6.06 213.75) = 100.000%  kept
          HB2   ASP-  62 - HB3   PRO   52  15.22 +/- 0.53   0.000% *  0.1862% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HB3   PRO   52  18.22 +/- 0.92   0.000% *  0.1234% (0.38   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  18.51 +/- 1.44   0.000% *  0.0377% (0.11   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  19.99 +/- 0.97   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  25.68 +/- 1.18   0.000% *  0.0214% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 213.7:
    * O T HG2   PRO   52 - HB3   PRO   52   2.80 +/- 0.00  98.370% * 98.5518% (1.00   6.10 213.75) =  99.997%  kept
          HG2   MET   92 - HB3   PRO   52   8.43 +/- 2.31   1.221% *  0.2089% (0.65   0.02   0.02) =   0.003%
          HB2   GLU-  79 - QB    LYS+  81   7.48 +/- 0.65   0.340% *  0.0297% (0.09   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   PRO   52  10.96 +/- 0.80   0.031% *  0.2345% (0.73   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  11.90 +/- 0.39   0.017% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  17.13 +/- 0.65   0.002% *  0.2585% (0.80   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  13.72 +/- 1.61   0.010% *  0.0240% (0.07   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  14.18 +/- 0.64   0.006% *  0.0350% (0.11   0.02   0.02) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  16.82 +/- 1.48   0.003% *  0.0370% (0.11   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  28.99 +/- 0.81   0.000% *  0.3054% (0.95   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  21.25 +/- 1.21   0.001% *  0.0269% (0.08   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.35 +/- 0.96   0.000% *  0.2089% (0.65   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  27.68 +/- 0.60   0.000% *  0.0240% (0.07   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  24.03 +/- 1.21   0.000% *  0.0057% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 1.0, support = 6.1, residual support = 213.7:
    * O T HG3   PRO   52 - HB3   PRO   52   2.31 +/- 0.00  99.624% * 98.5203% (1.00   6.10 213.75) = 100.000%  kept
        T HB2   PRO   93 - HB3   PRO   52   6.27 +/- 0.80   0.343% *  0.0997% (0.31   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HB3   PRO   52   9.73 +/- 0.39   0.018% *  0.3229% (1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  10.44 +/- 0.41   0.012% *  0.0057% (0.02   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  16.20 +/- 1.41   0.001% *  0.0370% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  15.23 +/- 1.32   0.001% *  0.0114% (0.04   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  30.03 +/- 1.70   0.000% *  0.3201% (0.99   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  22.49 +/- 0.99   0.000% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  26.55 +/- 0.61   0.000% *  0.1212% (0.38   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  23.46 +/- 1.19   0.000% *  0.0370% (0.11   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.40 +/- 0.64   0.000% *  0.0639% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  37.74 +/- 2.57   0.000% *  0.3165% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  20.09 +/- 0.45   0.000% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  27.05 +/- 1.72   0.000% *  0.0367% (0.11   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  33.94 +/- 3.11   0.000% *  0.0363% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  29.54 +/- 0.87   0.000% *  0.0139% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 1.0, support = 6.71, residual support = 213.7:
    * O T HD2   PRO   52 - HB3   PRO   52   3.85 +/- 0.00  35.490% * 98.2189% (1.00   6.71 213.75) =  99.971%  kept
          QB    SER   85 - QB    LYS+  81   3.61 +/- 0.44  54.301% *  0.0163% (0.06   0.02   0.02) =   0.025%
          HB2   SER   82 - QB    LYS+  81   5.05 +/- 0.64   9.470% *  0.0115% (0.04   0.02  19.77) =   0.003%
          HA    ALA   88 - QB    LYS+  81   7.85 +/- 0.57   0.496% *  0.0310% (0.11   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   PRO   52  12.20 +/- 0.67   0.039% *  0.2126% (0.73   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  10.61 +/- 1.56   0.170% *  0.0244% (0.08   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  17.66 +/- 0.91   0.004% *  0.2702% (0.92   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  15.07 +/- 1.41   0.014% *  0.0336% (0.11   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  18.90 +/- 1.00   0.003% *  0.1425% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  20.97 +/- 0.40   0.001% *  0.1657% (0.57   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  19.28 +/- 0.67   0.002% *  0.0814% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  20.00 +/- 0.58   0.002% *  0.0579% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  25.26 +/- 0.80   0.000% *  0.1425% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  23.98 +/- 1.05   0.001% *  0.0998% (0.34   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  29.79 +/- 0.85   0.000% *  0.2769% (0.95   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  22.98 +/- 0.49   0.001% *  0.0318% (0.11   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  19.62 +/- 0.38   0.002% *  0.0084% (0.03   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  20.62 +/- 0.70   0.002% *  0.0093% (0.03   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  29.28 +/- 0.72   0.000% *  0.0730% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  26.28 +/- 1.01   0.000% *  0.0190% (0.06   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  30.84 +/- 0.80   0.000% *  0.0452% (0.15   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  27.27 +/- 0.80   0.000% *  0.0163% (0.06   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  24.89 +/- 0.40   0.000% *  0.0052% (0.02   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  31.09 +/- 1.21   0.000% *  0.0066% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 20 structures by 0.20 A, kept and volume modified.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 213.7:
    * O T HA    PRO   52 - HG2   PRO   52   3.88 +/- 0.00  98.455% * 99.4413% (1.00   5.98 213.75) =  99.998%  kept
          HA    ALA   91 - HG2   PRO   52   8.64 +/- 0.99   1.123% *  0.1027% (0.31   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HG2   PRO   52   9.95 +/- 0.77   0.395% *  0.2152% (0.65   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   52  15.49 +/- 0.77   0.026% *  0.0658% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  23.89 +/- 0.73   0.002% *  0.1750% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 6.06, residual support = 213.7:
    * O T HB2   PRO   52 - HG2   PRO   52   2.31 +/- 0.00  99.999% * 99.6904% (1.00   6.06 213.75) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   52  17.89 +/- 0.50   0.000% *  0.1862% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   52  19.50 +/- 1.01   0.000% *  0.1234% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 6.1, residual support = 213.7:
    * O T HB3   PRO   52 - HG2   PRO   52   2.80 +/- 0.00  98.710% * 98.1139% (1.00   6.10 213.75) =  99.999%  kept
          HG2   PRO   93 - HG2   PRO   52   6.20 +/- 0.65   1.110% *  0.0992% (0.31   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   52   9.28 +/- 0.42   0.078% *  0.1206% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52   9.83 +/- 1.46   0.096% *  0.0636% (0.20   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  16.82 +/- 1.48   0.003% *  0.0496% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  20.38 +/- 0.44   0.001% *  0.1820% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  23.07 +/- 0.86   0.000% *  0.3214% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  23.67 +/- 1.03   0.000% *  0.2883% (0.90   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  20.15 +/- 0.82   0.001% *  0.1096% (0.34   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  24.78 +/- 0.96   0.000% *  0.2457% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  24.60 +/- 0.96   0.000% *  0.1321% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  29.19 +/- 0.46   0.000% *  0.1441% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.95 +/- 0.80   0.000% *  0.0802% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  26.22 +/- 0.75   0.000% *  0.0496% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 6.0, residual support = 213.7:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.979% * 98.6810% (1.00   6.00 213.75) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   7.45 +/- 0.68   0.020% *  0.1016% (0.31   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  12.41 +/- 0.39   0.001% *  0.3291% (1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  22.44 +/- 1.10   0.000% *  0.0508% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  31.73 +/- 1.80   0.000% *  0.3262% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  28.86 +/- 0.57   0.000% *  0.1235% (0.38   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  28.30 +/- 0.68   0.000% *  0.0651% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  39.51 +/- 2.57   0.000% *  0.3226% (0.98   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 6.6, residual support = 213.7:
    * O T HD2   PRO   52 - HG2   PRO   52   2.87 +/- 0.00  99.971% * 98.4038% (1.00   6.60 213.75) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52  11.90 +/- 0.52   0.020% *  0.2164% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  15.70 +/- 1.11   0.004% *  0.2751% (0.92   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  17.34 +/- 1.17   0.002% *  0.1451% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  23.32 +/- 0.35   0.000% *  0.1687% (0.57   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  21.07 +/- 0.63   0.001% *  0.0829% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  22.78 +/- 1.26   0.000% *  0.1017% (0.34   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  22.69 +/- 0.59   0.000% *  0.0590% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  27.41 +/- 0.76   0.000% *  0.1451% (0.49   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  30.91 +/- 0.91   0.000% *  0.2819% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  30.07 +/- 0.75   0.000% *  0.0743% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  32.20 +/- 0.83   0.000% *  0.0460% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 1.0, support = 5.98, residual support = 213.7:
    * O T HA    PRO   52 - HG3   PRO   52   3.97 +/- 0.00  96.015% * 98.7282% (1.00   5.98 213.75) =  99.994%  kept
          HA    ALA   91 - HG3   PRO   52   7.75 +/- 0.94   2.483% *  0.1020% (0.31   0.02   0.02) =   0.003%
        T HA    PRO   52 - HG2   PRO   58   9.34 +/- 0.42   0.596% *  0.2675% (0.81   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HG3   PRO   52   9.34 +/- 0.56   0.616% *  0.2138% (0.65   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HG2   PRO   58  11.29 +/- 0.46   0.188% *  0.1731% (0.52   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  14.23 +/- 0.62   0.047% *  0.0654% (0.20   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  14.93 +/- 0.39   0.034% *  0.0529% (0.16   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  17.18 +/- 1.06   0.016% *  0.0826% (0.25   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  22.25 +/- 0.74   0.003% *  0.1738% (0.53   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  22.73 +/- 0.49   0.003% *  0.1407% (0.43   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 213.7:
    * O T HB2   PRO   52 - HG3   PRO   52   2.96 +/- 0.00  98.837% * 99.1774% (1.00   6.06 213.75) =  99.998%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.41 +/- 0.60   1.109% *  0.1500% (0.46   0.02   0.02) =   0.002%
        T HB2   PRO   52 - HG2   PRO   58  10.61 +/- 0.44   0.048% *  0.2650% (0.81   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  16.71 +/- 0.42   0.003% *  0.1853% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  17.91 +/- 0.94   0.002% *  0.1228% (0.38   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  18.59 +/- 0.42   0.002% *  0.0995% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 213.7:
    * O T HB3   PRO   52 - HG3   PRO   52   2.31 +/- 0.00  97.560% * 96.3895% (1.00   6.10 213.75) =  99.997%  kept
        T HG2   PRO   93 - HG3   PRO   52   4.67 +/- 0.63   2.296% *  0.0975% (0.31   0.02   0.02) =   0.002%
        T HB3   PRO   52 - HG2   PRO   58   9.73 +/- 0.39   0.018% *  0.2558% (0.81   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.78 +/- 0.32   0.033% *  0.1186% (0.38   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   8.66 +/- 0.46   0.037% *  0.0960% (0.30   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52   9.67 +/- 1.29   0.027% *  0.0625% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  10.81 +/- 0.26   0.009% *  0.1448% (0.46   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  12.38 +/- 0.61   0.004% *  0.2558% (0.81   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58  10.82 +/- 0.72   0.010% *  0.0789% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  15.75 +/- 0.31   0.001% *  0.0872% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  19.18 +/- 0.41   0.000% *  0.1789% (0.57   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  16.20 +/- 1.41   0.001% *  0.0487% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  21.98 +/- 0.77   0.000% *  0.3159% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  18.66 +/- 0.73   0.000% *  0.1078% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  22.09 +/- 0.96   0.000% *  0.2834% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  19.04 +/- 0.33   0.000% *  0.1147% (0.36   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  20.91 +/- 0.34   0.000% *  0.1955% (0.62   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  21.94 +/- 0.56   0.000% *  0.2294% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.06 +/- 0.93   0.000% *  0.2415% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  23.10 +/- 0.85   0.000% *  0.1299% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.48 +/- 1.20   0.000% *  0.0506% (0.16   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.89 +/- 0.30   0.000% *  0.1052% (0.33   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.25 +/- 0.65   0.000% *  0.0638% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  27.72 +/- 0.47   0.000% *  0.1416% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  25.42 +/- 0.81   0.000% *  0.0788% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  23.23 +/- 0.32   0.000% *  0.0395% (0.12   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.46 +/- 1.19   0.000% *  0.0395% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  24.85 +/- 0.65   0.000% *  0.0487% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 5.97, residual support = 213.0:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  93.903% * 90.1491% (1.00   6.00 213.75) =  99.635%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.96 +/- 0.00   4.075% *  7.5116% (0.12   4.00 142.48) =   0.360%
          HG2   MET   92 - HG3   PRO   52   6.74 +/- 2.32   2.017% *  0.1945% (0.65   0.02   0.02) =   0.005%
          QG    GLU- 114 - HG2   PRO   58  11.40 +/- 1.16   0.002% *  0.1768% (0.59   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  11.77 +/- 0.69   0.001% *  0.2183% (0.73   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.41 +/- 0.39   0.001% *  0.2434% (0.81   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  15.57 +/- 0.69   0.000% *  0.2408% (0.80   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  16.13 +/- 1.51   0.000% *  0.1575% (0.52   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  13.57 +/- 0.34   0.000% *  0.0464% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  20.53 +/- 0.65   0.000% *  0.1949% (0.65   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.54 +/- 0.87   0.000% *  0.2844% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.91 +/- 0.48   0.000% *  0.2303% (0.77   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  31.61 +/- 1.06   0.000% *  0.1575% (0.52   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  33.99 +/- 0.94   0.000% *  0.1945% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 6.6, residual support = 213.7:
    * O T HD2   PRO   52 - HG3   PRO   52   2.30 +/- 0.00  99.974% * 96.9175% (1.00   6.60 213.75) = 100.000%  kept
          HA    SER   48 - HG3   PRO   52  10.94 +/- 0.61   0.009% *  0.2132% (0.73   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   PRO   58  12.06 +/- 0.30   0.005% *  0.2376% (0.81   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  13.34 +/- 0.18   0.003% *  0.1345% (0.46   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  15.42 +/- 0.88   0.001% *  0.2710% (0.92   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  15.80 +/- 1.03   0.001% *  0.1726% (0.59   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  13.04 +/- 0.45   0.003% *  0.0470% (0.16   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  16.90 +/- 1.03   0.001% *  0.1429% (0.49   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  14.88 +/- 0.56   0.001% *  0.0661% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  18.40 +/- 0.76   0.000% *  0.1157% (0.39   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  19.47 +/- 0.65   0.000% *  0.0816% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  21.92 +/- 0.37   0.000% *  0.1662% (0.57   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  21.91 +/- 1.13   0.000% *  0.1001% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  25.88 +/- 0.40   0.000% *  0.2194% (0.75   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  21.62 +/- 0.50   0.000% *  0.0581% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  25.92 +/- 0.75   0.000% *  0.1429% (0.49   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  29.20 +/- 0.89   0.000% *  0.2777% (0.95   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  25.34 +/- 0.59   0.000% *  0.1157% (0.39   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  28.34 +/- 0.34   0.000% *  0.2248% (0.77   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  28.42 +/- 0.75   0.000% *  0.0732% (0.25   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  29.66 +/- 0.62   0.000% *  0.0811% (0.28   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  28.56 +/- 0.49   0.000% *  0.0593% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  28.06 +/- 0.40   0.000% *  0.0367% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  30.48 +/- 0.83   0.000% *  0.0453% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 1.0, support = 2.96, residual support = 43.3:
    * O T HB2   CYS   53 - HA    CYS   53   2.84 +/- 0.19  97.985% * 97.9889% (1.00   2.96  43.29) =  99.992%  kept
          HD3   PRO   52 - HA    CYS   53   6.11 +/- 0.01   1.051% *  0.4552% (0.69   0.02  50.59) =   0.005%
          HD2   PRO   58 - HA    CYS   53   6.28 +/- 0.29   0.963% *  0.3487% (0.53   0.02   0.02) =   0.003%
          HA    VAL   83 - HA    CYS   53  20.84 +/- 0.59   0.001% *  0.2971% (0.45   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  23.47 +/- 0.59   0.000% *  0.5065% (0.76   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  21.75 +/- 0.74   0.001% *  0.1312% (0.20   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  27.05 +/- 0.65   0.000% *  0.2725% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 1.0, support = 3.3, residual support = 43.3:
    * O T HB3   CYS   53 - HA    CYS   53   2.64 +/- 0.22  93.224% * 97.4414% (1.00   3.30  43.29) =  99.961%  kept
          QB    PHE   55 - HA    CYS   53   4.41 +/- 0.14   4.970% *  0.5121% (0.87   0.02   0.02) =   0.028%
          HD3   PRO   93 - HA    CYS   53   5.51 +/- 0.59   1.569% *  0.5584% (0.95   0.02   0.02) =   0.010%
          HD2   ARG+  54 - HA    CYS   53   8.11 +/- 0.38   0.130% *  0.5851% (0.99   0.02  30.38) =   0.001%
          HB2   PHE   59 - HA    CYS   53   8.28 +/- 0.28   0.108% *  0.3580% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    CYS   53  21.35 +/- 0.72   0.000% *  0.5449% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 43.3:
    * O T HA    CYS   53 - HB2   CYS   53   2.84 +/- 0.19  99.993% * 98.3742% (1.00   2.96  43.29) = 100.000%  kept
          HA    ILE   19 - HB2   CYS   53  16.16 +/- 0.83   0.003% *  0.5967% (0.90   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  17.31 +/- 0.46   0.002% *  0.1317% (0.20   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB2   CYS   53  22.25 +/- 0.62   0.000% *  0.4570% (0.69   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.16 +/- 0.71   0.000% *  0.3239% (0.49   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  20.33 +/- 0.92   0.001% *  0.1165% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.37, residual support = 43.3:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.873% * 97.4917% (1.00   3.37  43.29) =  99.999%  kept
          HD3   PRO   93 - HB2   CYS   53   6.56 +/- 0.79   0.058% *  0.5474% (0.95   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.22 +/- 0.07   0.050% *  0.5020% (0.87   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   7.57 +/- 0.47   0.017% *  0.5736% (0.99   0.02  30.38) =   0.000%
          HB2   PHE   59 - HB2   CYS   53  10.26 +/- 0.53   0.003% *  0.3510% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  21.92 +/- 1.04   0.000% *  0.5342% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.3, residual support = 43.3:
    * O T HA    CYS   53 - HB3   CYS   53   2.64 +/- 0.22  99.995% * 98.5413% (1.00   3.30  43.29) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  16.15 +/- 0.74   0.002% *  0.5354% (0.90   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  16.98 +/- 0.49   0.002% *  0.1181% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  21.96 +/- 0.48   0.000% *  0.4101% (0.69   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  21.96 +/- 0.55   0.000% *  0.2906% (0.49   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  20.04 +/- 1.05   0.001% *  0.1046% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 1.0, support = 3.37, residual support = 43.3:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.905% * 98.2305% (1.00   3.37  43.29) = 100.000%  kept
          HD3   PRO   52 - HB3   CYS   53   6.15 +/- 0.77   0.071% *  0.4005% (0.69   0.02  50.59) =   0.000%
          HD2   PRO   58 - HB3   CYS   53   7.38 +/- 0.80   0.024% *  0.3068% (0.53   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  19.69 +/- 0.66   0.000% *  0.2614% (0.45   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  22.66 +/- 0.65   0.000% *  0.4456% (0.76   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  20.21 +/- 0.93   0.000% *  0.1154% (0.20   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  27.44 +/- 0.78   0.000% *  0.2397% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 5.15, residual support = 157.2:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.81 +/- 0.05  95.956% * 97.1625% (1.00   5.15 157.17) =  99.995%  kept
          HB    ILE  119 - HA    LEU  115   4.96 +/- 0.51   3.787% *  0.1008% (0.27   0.02  12.36) =   0.004%
          HB2   PRO   93 - HA    ARG+  54   8.29 +/- 0.46   0.156% *  0.3275% (0.87   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115   9.72 +/- 0.38   0.058% *  0.1151% (0.30   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LEU  115  10.95 +/- 0.54   0.029% *  0.1008% (0.27   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  14.87 +/- 0.41   0.004% *  0.3275% (0.87   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  17.88 +/- 0.26   0.001% *  0.3742% (0.99   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  15.09 +/- 0.37   0.004% *  0.1162% (0.31   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  22.24 +/- 0.49   0.000% *  0.3275% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  22.55 +/- 0.94   0.000% *  0.2137% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  20.66 +/- 0.64   0.001% *  0.0840% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.98 +/- 0.52   0.000% *  0.1008% (0.27   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.14 +/- 0.55   0.000% *  0.0930% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  19.32 +/- 0.68   0.001% *  0.0259% (0.07   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  23.50 +/- 0.75   0.000% *  0.0658% (0.17   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.59 +/- 0.48   0.000% *  0.3023% (0.80   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  24.71 +/- 1.57   0.000% *  0.0582% (0.15   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  31.90 +/- 2.76   0.000% *  0.0661% (0.18   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  26.54 +/- 1.67   0.000% *  0.0179% (0.05   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  34.02 +/- 2.08   0.000% *  0.0203% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 157.2:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.52 +/- 0.38  99.011% * 95.6812% (1.00   4.97 157.17) =  99.999%  kept
          HB    ILE   56 - HA    ARG+  54   7.04 +/- 0.15   0.295% *  0.1582% (0.41   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    ARG+  54   7.33 +/- 0.07   0.230% *  0.1444% (0.38   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   7.88 +/- 0.36   0.151% *  0.1181% (0.31   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   7.58 +/- 0.34   0.198% *  0.0487% (0.13   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   9.41 +/- 0.23   0.053% *  0.0989% (0.26   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.37 +/- 0.70   0.030% *  0.0444% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  15.88 +/- 1.43   0.003% *  0.3552% (0.92   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  12.50 +/- 0.63   0.011% *  0.0444% (0.12   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  18.77 +/- 1.32   0.001% *  0.3338% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  14.79 +/- 0.39   0.003% *  0.1181% (0.31   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  18.10 +/- 0.26   0.001% *  0.3214% (0.84   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  16.20 +/- 0.59   0.003% *  0.1184% (0.31   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  18.82 +/- 0.38   0.001% *  0.3840% (1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  18.42 +/- 0.59   0.001% *  0.1444% (0.38   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  22.29 +/- 0.32   0.000% *  0.3814% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  23.09 +/- 0.55   0.000% *  0.3714% (0.97   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  19.27 +/- 0.57   0.001% *  0.1174% (0.30   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.71 +/- 0.63   0.004% *  0.0207% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  24.81 +/- 0.33   0.000% *  0.3840% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  21.07 +/- 0.73   0.000% *  0.1093% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  21.65 +/- 0.67   0.000% *  0.1143% (0.30   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  24.36 +/- 1.19   0.000% *  0.1027% (0.27   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  21.71 +/- 0.44   0.000% *  0.0594% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  23.39 +/- 0.59   0.000% *  0.0674% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  22.58 +/- 0.79   0.000% *  0.0329% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  29.74 +/- 1.24   0.000% *  0.1070% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.48 +/- 0.51   0.000% *  0.0183% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 1 structures by 0.01 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.977, support = 4.2, residual support = 117.8:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.85 +/- 0.61  61.820% * 38.2111% (1.00   4.34 157.17) =  71.324%  kept
          HB3   CYS   53 - HA    ARG+  54   4.90 +/- 0.57  17.592% * 33.3961% (0.99   3.83  30.38) =  17.739%  kept
          QB    PHE   55 - HA    ARG+  54   5.08 +/- 0.01  13.060% * 27.7139% (0.80   3.93   2.63) =  10.928%  kept
          HB2   PHE   59 - HA    LEU  115   5.80 +/- 0.29   6.425% *  0.0285% (0.16   0.02  26.35) =   0.006%
          HB2   PHE   59 - HA    ARG+  54   8.91 +/- 0.22   0.448% *  0.0927% (0.53   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    ARG+  54  10.15 +/- 0.65   0.241% *  0.1580% (0.90   0.02   0.02) =   0.001%
          QB    PHE   55 - HA    LEU  115   9.55 +/- 0.32   0.306% *  0.0434% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    LEU  115  12.89 +/- 0.23   0.050% *  0.0486% (0.28   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  13.78 +/- 0.64   0.033% *  0.0537% (0.30   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  16.87 +/- 0.75   0.011% *  0.0470% (0.27   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  16.78 +/- 0.71   0.009% *  0.0542% (0.31   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  20.59 +/- 0.62   0.003% *  0.1528% (0.87   0.02   0.02) =   0.000%
    Distance limit 5.20 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 = 5.15, residual support = 157.2:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.81 +/- 0.05  99.972% * 97.8697% (1.00   5.15 157.17) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  15.09 +/- 0.37   0.004% *  0.2306% (0.61   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.23 +/- 1.74   0.014% *  0.0251% (0.07   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  21.49 +/- 1.22   0.001% *  0.2460% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  18.08 +/- 0.31   0.001% *  0.0666% (0.18   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  17.80 +/- 1.98   0.002% *  0.0362% (0.10   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  25.66 +/- 0.64   0.000% *  0.3727% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  17.61 +/- 1.73   0.002% *  0.0294% (0.08   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  26.84 +/- 0.45   0.000% *  0.2460% (0.65   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  20.66 +/- 3.00   0.001% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  28.11 +/- 0.47   0.000% *  0.1705% (0.45   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  24.71 +/- 1.57   0.000% *  0.0559% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  23.38 +/- 3.85   0.001% *  0.0193% (0.05   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  25.84 +/- 3.74   0.000% *  0.0238% (0.06   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  27.07 +/- 1.65   0.000% *  0.0548% (0.14   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.83 +/- 2.43   0.000% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.74 +/- 1.17   0.000% *  0.1057% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  34.42 +/- 0.51   0.000% *  0.2001% (0.53   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  26.54 +/- 1.67   0.000% *  0.0339% (0.09   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  30.02 +/- 1.94   0.000% *  0.0362% (0.10   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  31.90 +/- 2.76   0.000% *  0.0368% (0.10   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  32.09 +/- 2.47   0.000% *  0.0360% (0.09   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.96 +/- 3.50   0.000% *  0.0102% (0.03   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  34.02 +/- 2.08   0.000% *  0.0223% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  31.09 +/- 1.71   0.000% *  0.0098% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  38.03 +/- 3.34   0.000% *  0.0238% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  38.46 +/- 2.13   0.000% *  0.0064% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 1.0, support = 4.76, residual support = 157.2:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.41 +/- 0.31  96.906% * 97.8118% (1.00   4.76 157.17) =  99.989%  kept
          QB    PHE   55 - HB2   ARG+  54   4.56 +/- 0.17   2.717% *  0.3293% (0.80   0.02   2.63) =   0.009%
          HB3   CYS   53 - HB2   ARG+  54   6.76 +/- 0.53   0.336% *  0.4076% (0.99   0.02  30.38) =   0.001%
        T HD3   PRO   93 - HB2   ARG+  54  11.34 +/- 0.83   0.013% *  0.3688% (0.90   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   ARG+  54  10.18 +/- 0.32   0.022% *  0.2164% (0.53   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  13.63 +/- 1.23   0.004% *  0.0525% (0.13   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  22.58 +/- 0.65   0.000% *  0.3567% (0.87   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  19.30 +/- 2.27   0.001% *  0.0345% (0.08   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  25.09 +/- 1.87   0.000% *  0.0599% (0.15   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  26.78 +/- 1.90   0.000% *  0.0605% (0.15   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  23.86 +/- 1.43   0.000% *  0.0318% (0.08   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  25.53 +/- 1.37   0.000% *  0.0484% (0.12   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  28.55 +/- 1.89   0.000% *  0.0542% (0.13   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  33.40 +/- 3.44   0.000% *  0.0398% (0.10   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  32.98 +/- 2.55   0.000% *  0.0394% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  32.06 +/- 2.34   0.000% *  0.0318% (0.08   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  31.18 +/- 2.29   0.000% *  0.0209% (0.05   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  36.78 +/- 2.38   0.000% *  0.0357% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 4.34, residual support = 157.2:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.85 +/- 0.61  99.969% * 98.0526% (1.00   4.34 157.17) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  16.78 +/- 0.71   0.017% *  0.2742% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  22.20 +/- 1.09   0.004% *  0.2924% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  19.92 +/- 0.60   0.006% *  0.0792% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  26.67 +/- 1.15   0.001% *  0.4431% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  27.51 +/- 0.76   0.001% *  0.2924% (0.65   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  28.71 +/- 0.97   0.001% *  0.2027% (0.45   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  35.08 +/- 0.91   0.000% *  0.2378% (0.53   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  31.90 +/- 1.66   0.000% *  0.1257% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 157.2:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.41 +/- 0.31  99.988% * 97.7349% (1.00   4.76 157.17) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  11.73 +/- 0.71   0.010% *  0.3564% (0.87   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.10 +/- 0.77   0.001% *  0.3564% (0.87   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  20.99 +/- 0.64   0.000% *  0.4073% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  25.33 +/- 0.96   0.000% *  0.3564% (0.87   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  25.53 +/- 1.31   0.000% *  0.2326% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  22.70 +/- 1.40   0.000% *  0.0915% (0.22   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  26.78 +/- 1.90   0.000% *  0.0634% (0.15   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  34.05 +/- 0.96   0.000% *  0.3290% (0.80   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  33.40 +/- 3.44   0.000% *  0.0720% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 1.0, support = 4.55, residual support = 157.2:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.94 +/- 0.12  99.819% * 96.4624% (1.00   4.55 157.17) = 100.000%  kept
        T HB3   PRO   52 - HD2   ARG+  54   9.22 +/- 0.52   0.111% *  0.1591% (0.38   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   ARG+  54  10.08 +/- 0.53   0.063% *  0.1742% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  17.81 +/- 1.62   0.002% *  0.3912% (0.92   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  20.60 +/- 1.50   0.001% *  0.3676% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  21.23 +/- 0.63   0.001% *  0.3540% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  22.20 +/- 0.83   0.001% *  0.4229% (1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  20.30 +/- 1.24   0.001% *  0.1591% (0.38   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  24.40 +/- 1.23   0.000% *  0.4201% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  25.85 +/- 0.97   0.000% *  0.4090% (0.97   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.40 +/- 0.77   0.000% *  0.4229% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  24.90 +/- 0.91   0.000% *  0.0654% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  27.03 +/- 0.97   0.000% *  0.0742% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  33.10 +/- 1.41   0.000% *  0.1178% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 1.0, support = 3.56, residual support = 20.4:
    * O T QB    PHE   55 - HA    PHE   55   2.58 +/- 0.01  98.754% * 96.8251% (1.00   3.56  20.36) =  99.994%  kept
          HD2   ARG+  54 - HA    PHE   55   5.91 +/- 0.47   0.795% *  0.4354% (0.80   0.02   2.63) =   0.004%
          HB2   PHE   59 - HA    PHE   55   6.90 +/- 0.22   0.277% *  0.4876% (0.90   0.02   0.02) =   0.001%
          HB3   CYS   53 - HA    PHE   55   7.82 +/- 0.33   0.133% *  0.4716% (0.87   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    PHE   55  10.92 +/- 0.70   0.019% *  0.5329% (0.98   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.53 +/- 0.30   0.008% *  0.1148% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.80 +/- 0.39   0.007% *  0.1268% (0.23   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.64 +/- 0.24   0.002% *  0.1254% (0.23   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  15.95 +/- 0.35   0.002% *  0.1280% (0.24   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.67 +/- 0.65   0.002% *  0.1110% (0.20   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  20.85 +/- 0.69   0.000% *  0.5389% (0.99   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  20.89 +/- 0.93   0.000% *  0.1025% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 3.56, residual support = 20.4:
    * O T HA    PHE   55 - QB    PHE   55   2.58 +/- 0.01  99.152% * 98.6814% (1.00   3.56  20.36) =  99.996%  kept
          HA    ALA  110 - QB    PHE   55   5.83 +/- 0.40   0.842% *  0.4807% (0.87   0.02   0.45) =   0.004%
          HA    GLN   90 - QB    PHE   55  14.33 +/- 0.75   0.004% *  0.5242% (0.95   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    PHE   55  15.95 +/- 0.35   0.002% *  0.3137% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 1.0, support = 4.35, residual support = 110.6:
    * O T HB    ILE   56 - HA    ILE   56   2.41 +/- 0.05  99.310% * 96.7752% (1.00   4.35 110.61) =  99.998%  kept
        T HB3   PRO   58 - HA    ILE   56   5.62 +/- 0.09   0.625% *  0.2164% (0.49   0.02   0.18) =   0.001%
          HG2   ARG+  54 - HA    ILE   56   8.67 +/- 0.49   0.052% *  0.1828% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  12.95 +/- 0.99   0.005% *  0.3054% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  13.74 +/- 0.24   0.003% *  0.3398% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  13.40 +/- 0.34   0.003% *  0.1993% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  17.41 +/- 1.00   0.001% *  0.2876% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  20.90 +/- 0.40   0.000% *  0.3714% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  20.99 +/- 1.17   0.000% *  0.3228% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  20.00 +/- 0.32   0.000% *  0.1669% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.86 +/- 0.30   0.000% *  0.1517% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  21.93 +/- 0.57   0.000% *  0.2517% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.12 +/- 1.08   0.000% *  0.4291% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 4.53, residual support = 110.6:
    * O   QG2   ILE   56 - HA    ILE   56   3.21 +/- 0.01  99.883% * 97.8548% (1.00   4.53 110.61) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  11.03 +/- 1.08   0.071% *  0.3139% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  12.54 +/- 0.95   0.032% *  0.0856% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  17.74 +/- 0.28   0.004% *  0.4089% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  17.70 +/- 0.67   0.004% *  0.3139% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.13 +/- 0.58   0.002% *  0.2797% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  18.95 +/- 0.43   0.002% *  0.1623% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.32 +/- 0.77   0.002% *  0.0757% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  27.65 +/- 1.50   0.000% *  0.4089% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  22.43 +/- 0.66   0.001% *  0.0962% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 3.92, residual support = 110.6:
    * O T QG1   ILE   56 - HA    ILE   56   2.78 +/- 0.11  99.967% * 98.4198% (1.00   3.92 110.61) = 100.000%  kept
          HB3   MET   92 - HA    ILE   56  11.98 +/- 1.50   0.023% *  0.0994% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HA    ILE   56  15.25 +/- 0.74   0.004% *  0.2444% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  15.88 +/- 0.30   0.003% *  0.1550% (0.31   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  20.02 +/- 0.54   0.001% *  0.4922% (0.98   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  18.90 +/- 0.59   0.001% *  0.3249% (0.65   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  18.95 +/- 0.55   0.001% *  0.2642% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 110.6:
    * O T HA    ILE   56 - HB    ILE   56   2.41 +/- 0.05  99.916% * 97.8606% (1.00   4.35 110.61) = 100.000%  kept
        T HA    PRO   58 - HB    ILE   56   8.28 +/- 0.05   0.061% *  0.1250% (0.28   0.02   0.18) =   0.000%
          HA    ASP- 113 - HB    ILE   56   9.93 +/- 0.25   0.021% *  0.2908% (0.65   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  17.72 +/- 0.33   0.001% *  0.4407% (0.98   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  21.32 +/- 0.34   0.000% *  0.4253% (0.95   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  19.81 +/- 0.40   0.000% *  0.1848% (0.41   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  25.07 +/- 0.59   0.000% *  0.4486% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  22.25 +/- 0.56   0.000% *  0.1121% (0.25   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  27.97 +/- 1.38   0.000% *  0.1121% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 5.39, residual support = 110.6:
    * O T QG2   ILE   56 - HB    ILE   56   2.12 +/- 0.02  99.981% * 98.1910% (1.00   5.39 110.61) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56   9.42 +/- 0.93   0.015% *  0.2647% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  12.50 +/- 0.86   0.003% *  0.0721% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  17.93 +/- 0.33   0.000% *  0.3449% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.31 +/- 0.63   0.000% *  0.2647% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.69 +/- 0.57   0.000% *  0.2358% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.69 +/- 0.43   0.000% *  0.1368% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  27.94 +/- 1.48   0.000% *  0.3449% (0.95   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.99 +/- 0.82   0.000% *  0.0638% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  22.73 +/- 0.61   0.000% *  0.0812% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 4.56, residual support = 110.6:
    * O T QG1   ILE   56 - HB    ILE   56   2.45 +/- 0.02  99.943% * 98.6394% (1.00   4.56 110.61) = 100.000%  kept
          HB3   MET   92 - HB    ILE   56   9.78 +/- 1.62   0.051% *  0.0856% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HB    ILE   56  14.28 +/- 0.72   0.003% *  0.2105% (0.49   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  16.97 +/- 0.72   0.001% *  0.2797% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  15.76 +/- 0.37   0.001% *  0.1335% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  20.27 +/- 0.53   0.000% *  0.4239% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  19.36 +/- 0.54   0.000% *  0.2275% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 5.39, residual support = 110.6:
    * O T HB    ILE   56 - QG2   ILE   56   2.12 +/- 0.02  99.752% * 97.3777% (1.00   5.39 110.61) = 100.000%  kept
          HG2   ARG+  54 - QG2   ILE   56   6.41 +/- 0.24   0.134% *  0.1486% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   ILE   56   7.98 +/- 0.65   0.041% *  0.2483% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.37 +/- 0.08   0.057% *  0.1760% (0.49   0.02   0.18) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56  10.83 +/- 0.27   0.006% *  0.2763% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  11.50 +/- 0.81   0.004% *  0.2339% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  11.61 +/- 0.42   0.004% *  0.1621% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  14.80 +/- 0.98   0.001% *  0.2625% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  16.32 +/- 0.49   0.000% *  0.3020% (0.84   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  16.21 +/- 0.45   0.001% *  0.1357% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  17.69 +/- 0.55   0.000% *  0.2047% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  18.06 +/- 0.43   0.000% *  0.1233% (0.34   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  21.88 +/- 1.00   0.000% *  0.3489% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 4.82, residual support = 110.6:
    * O T QG1   ILE   56 - QG2   ILE   56   2.10 +/- 0.04  99.881% * 98.7107% (1.00   4.82 110.61) = 100.000%  kept
          HB3   MET   92 - QG2   ILE   56   7.26 +/- 1.14   0.111% *  0.0811% (0.20   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  12.69 +/- 0.46   0.002% *  0.2651% (0.65   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG2   ILE   56  12.34 +/- 0.51   0.003% *  0.1994% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  11.93 +/- 0.46   0.003% *  0.1265% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  16.97 +/- 0.56   0.000% *  0.4016% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  16.33 +/- 0.54   0.000% *  0.2156% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 1.0, support = 3.92, residual support = 110.6:
    * O T HA    ILE   56 - QG1   ILE   56   2.78 +/- 0.11  99.415% * 97.6294% (1.00   3.92 110.61) =  99.999%  kept
          HA    PRO   58 - QG1   ILE   56   6.69 +/- 0.11   0.523% *  0.1385% (0.28   0.02   0.18) =   0.001%
        T HA    ASP- 113 - QG1   ILE   56   9.94 +/- 0.22   0.049% *  0.3223% (0.65   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  14.70 +/- 0.36   0.005% *  0.4883% (0.98   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  16.80 +/- 0.33   0.002% *  0.4712% (0.95   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  15.42 +/- 0.38   0.003% *  0.2048% (0.41   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  20.04 +/- 0.54   0.001% *  0.4971% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  17.71 +/- 0.51   0.002% *  0.1242% (0.25   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  22.95 +/- 1.13   0.000% *  0.1242% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 110.6:
    * O T HB    ILE   56 - QG1   ILE   56   2.45 +/- 0.02  99.692% * 96.9183% (1.00   4.56 110.61) =  99.999%  kept
          HB3   PRO   58 - QG1   ILE   56   7.06 +/- 0.17   0.178% *  0.2068% (0.49   0.02   0.18) =   0.000%
          HB2   MET   92 - QG1   ILE   56   9.34 +/- 0.62   0.036% *  0.2918% (0.69   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   8.92 +/- 0.34   0.044% *  0.1747% (0.41   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG1   ILE   56  10.06 +/- 0.21   0.021% *  0.3247% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  10.11 +/- 0.38   0.021% *  0.1905% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  14.12 +/- 0.78   0.003% *  0.2749% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  16.50 +/- 0.34   0.001% *  0.3549% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.08 +/- 1.03   0.001% *  0.3085% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  15.44 +/- 0.33   0.002% *  0.1595% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  17.77 +/- 0.47   0.001% *  0.2405% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  17.37 +/- 0.43   0.001% *  0.1449% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  21.33 +/- 0.97   0.000% *  0.4100% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 4.82, residual support = 110.6:
    * O T QG2   ILE   56 - QG1   ILE   56   2.10 +/- 0.04  99.956% * 97.9818% (1.00   4.82 110.61) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   8.51 +/- 0.62   0.025% *  0.2953% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56   9.47 +/- 0.86   0.015% *  0.0805% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  14.03 +/- 0.30   0.001% *  0.3847% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  14.41 +/- 0.58   0.001% *  0.2953% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  16.27 +/- 0.54   0.000% *  0.2631% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  15.37 +/- 0.35   0.001% *  0.1526% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.40 +/- 0.73   0.000% *  0.0712% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  22.62 +/- 1.33   0.000% *  0.3847% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  18.12 +/- 0.60   0.000% *  0.0905% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.908, support = 6.45, residual support = 134.6:
    * O T HA    PRO   58 - HD2   PRO   58   3.79 +/- 0.00  59.696% * 90.6039% (0.95   6.70 142.48) =  94.434%  kept
          HA    ILE   56 - HD2   PRO   58   4.06 +/- 0.15  40.159% *  7.9371% (0.26   2.11   0.18) =   5.565%  kept
          HA    THR   46 - HD2   PRO   58  10.85 +/- 0.34   0.111% *  0.1639% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  14.51 +/- 0.73   0.020% *  0.1422% (0.50   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  20.26 +/- 0.67   0.003% *  0.2697% (0.94   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  17.44 +/- 0.47   0.006% *  0.1014% (0.36   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  21.34 +/- 0.35   0.002% *  0.2608% (0.91   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  25.33 +/- 1.77   0.001% *  0.2697% (0.94   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  23.37 +/- 0.36   0.001% *  0.0417% (0.15   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  29.01 +/- 0.62   0.000% *  0.1422% (0.50   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  26.75 +/- 0.49   0.000% *  0.0674% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 6.62, residual support = 142.5:
    * O T HB2   PRO   58 - HD2   PRO   58   3.53 +/- 0.00  99.833% * 99.3473% (0.95   6.62 142.48) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  12.48 +/- 0.48   0.053% *  0.1700% (0.54   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  11.06 +/- 0.32   0.108% *  0.0463% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  17.94 +/- 0.31   0.006% *  0.2181% (0.69   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  27.79 +/- 0.63   0.000% *  0.1347% (0.42   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  29.00 +/- 0.54   0.000% *  0.0835% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 7.0, residual support = 142.4:
    * O T HB3   PRO   58 - HD2   PRO   58   4.12 +/- 0.00  81.240% * 98.1223% (0.79   7.00 142.48) =  99.960%  kept
          HB    ILE   56 - HD2   PRO   58   5.90 +/- 0.18   9.639% *  0.2803% (0.79   0.02   0.18) =   0.034%
          HG2   ARG+  54 - HD2   PRO   58   6.01 +/- 0.38   9.029% *  0.0518% (0.15   0.02   0.02) =   0.006%
          HB2   MET   92 - HD2   PRO   58  15.35 +/- 0.72   0.032% *  0.3239% (0.91   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  16.94 +/- 0.32   0.017% *  0.1380% (0.39   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  21.51 +/- 0.50   0.004% *  0.3356% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  16.61 +/- 0.34   0.019% *  0.0588% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  18.54 +/- 1.30   0.011% *  0.1036% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  21.28 +/- 1.20   0.005% *  0.1260% (0.36   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  27.91 +/- 1.24   0.001% *  0.3175% (0.89   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  22.48 +/- 0.64   0.003% *  0.0837% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  30.82 +/- 2.57   0.001% *  0.0588% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 20 structures by 0.20 A, kept and volume modified.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 142.5:
    * O T HG2   PRO   58 - HD2   PRO   58   2.91 +/- 0.00  99.830% * 98.8029% (0.95   6.62 142.48) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  10.13 +/- 0.31   0.057% *  0.2987% (0.95   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   9.14 +/- 0.50   0.111% *  0.0922% (0.29   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.42 +/- 0.55   0.001% *  0.1121% (0.36   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  23.83 +/- 1.39   0.000% *  0.2961% (0.94   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  30.88 +/- 2.70   0.000% *  0.2928% (0.93   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  23.28 +/- 0.74   0.000% *  0.0461% (0.15   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  25.39 +/- 0.45   0.000% *  0.0591% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 142.5:
    * O T HB2   PRO   58 - HA    PRO   58   2.30 +/- 0.00  99.995% * 99.2784% (1.00   5.98 142.48) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  13.03 +/- 0.41   0.003% *  0.1880% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  16.56 +/- 0.26   0.001% *  0.2411% (0.73   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.64 +/- 0.27   0.002% *  0.0512% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.00 +/- 0.55   0.000% *  0.1489% (0.45   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  28.83 +/- 0.67   0.000% *  0.0923% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 6.2, residual support = 142.5:
    * O T HB3   PRO   58 - HA    PRO   58   2.73 +/- 0.00  99.774% * 97.8838% (0.84   6.20 142.48) = 100.000%  kept
        T HB    ILE   56 - HA    PRO   58   8.28 +/- 0.05   0.129% *  0.3159% (0.84   0.02   0.18) =   0.000%
          HG2   ARG+  54 - HA    PRO   58   8.90 +/- 0.50   0.089% *  0.0584% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  17.63 +/- 0.53   0.001% *  0.3650% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  17.06 +/- 0.28   0.002% *  0.1555% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  20.04 +/- 0.65   0.001% *  0.3782% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  15.71 +/- 0.36   0.003% *  0.0662% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  25.68 +/- 1.35   0.000% *  0.3578% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.46 +/- 1.19   0.000% *  0.1167% (0.31   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  20.68 +/- 0.78   0.001% *  0.0943% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  22.94 +/- 1.19   0.000% *  0.1419% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  27.73 +/- 2.57   0.000% *  0.0662% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 142.5:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.718% * 98.6772% (1.00   5.98 142.48) = 100.000%  kept
        T HG3   PRO   52 - HA    PRO   58  13.55 +/- 0.24   0.064% *  0.3301% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    PRO   58  11.38 +/- 0.30   0.183% *  0.1019% (0.31   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  15.87 +/- 0.59   0.025% *  0.1239% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  20.97 +/- 1.26   0.005% *  0.3272% (0.99   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  27.77 +/- 2.72   0.001% *  0.3235% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  24.05 +/- 0.58   0.002% *  0.0653% (0.20   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  23.58 +/- 0.77   0.002% *  0.0509% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 142.5:
    * O T HD2   PRO   58 - HA    PRO   58   3.79 +/- 0.00  99.661% * 99.1897% (0.95   6.70 142.48) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58   9.93 +/- 0.64   0.336% *  0.1067% (0.34   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  25.72 +/- 0.35   0.001% *  0.3100% (0.99   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  28.13 +/- 0.37   0.001% *  0.3066% (0.98   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  24.88 +/- 0.69   0.001% *  0.0870% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 142.5:
    * O T HA    PRO   58 - HB2   PRO   58   2.30 +/- 0.00  99.751% * 98.1366% (1.00   5.98 142.48) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   6.29 +/- 0.11   0.242% *  0.0913% (0.28   0.02   0.18) =   0.000%
          HA    GLN   17 - HB2   PRO   58  13.52 +/- 0.77   0.003% *  0.1727% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.98 +/- 0.34   0.002% *  0.1991% (0.61   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  15.38 +/- 0.56   0.001% *  0.1232% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  19.39 +/- 0.78   0.000% *  0.3275% (1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  21.31 +/- 0.29   0.000% *  0.3168% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  24.05 +/- 1.97   0.000% *  0.3275% (1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  28.72 +/- 0.69   0.000% *  0.1727% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  23.55 +/- 0.29   0.000% *  0.0507% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  27.13 +/- 0.52   0.000% *  0.0819% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.21, residual support = 142.5:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.985% * 96.9146% (0.84   4.21 142.48) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   8.60 +/- 0.14   0.007% *  0.4606% (0.84   0.02   0.18) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58   8.68 +/- 0.50   0.007% *  0.0851% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  18.53 +/- 0.71   0.000% *  0.5322% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  18.28 +/- 0.27   0.000% *  0.2267% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  22.31 +/- 0.65   0.000% *  0.5514% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  17.15 +/- 0.31   0.000% *  0.0966% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  22.03 +/- 1.29   0.000% *  0.1702% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  27.71 +/- 1.34   0.000% *  0.5216% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  24.03 +/- 1.21   0.000% *  0.2070% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.71 +/- 0.79   0.000% *  0.1375% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  29.39 +/- 2.77   0.000% *  0.0966% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 4.0, residual support = 142.5:
    * O T HG2   PRO   58 - HB2   PRO   58   2.96 +/- 0.00  99.966% * 98.0356% (1.00   4.00 142.48) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  13.57 +/- 0.34   0.011% *  0.4902% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  12.30 +/- 0.42   0.020% *  0.1513% (0.31   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.59 +/- 0.65   0.002% *  0.1840% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  22.95 +/- 1.23   0.000% *  0.4858% (0.99   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  29.41 +/- 2.96   0.000% *  0.4805% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  26.08 +/- 0.57   0.000% *  0.0970% (0.20   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  25.52 +/- 0.76   0.000% *  0.0756% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 6.62, residual support = 142.5:
    * O T HD2   PRO   58 - HB2   PRO   58   3.53 +/- 0.00  99.848% * 99.1789% (0.95   6.62 142.48) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  10.53 +/- 0.56   0.151% *  0.1081% (0.34   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  27.74 +/- 0.32   0.000% *  0.3142% (0.99   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  29.51 +/- 0.38   0.000% *  0.3107% (0.98   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.98 +/- 0.68   0.001% *  0.0881% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.2, residual support = 142.5:
    * O T HA    PRO   58 - HB3   PRO   58   2.73 +/- 0.00  98.673% * 98.2009% (0.84   6.20 142.48) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   5.62 +/- 0.09   1.307% *  0.0881% (0.23   0.02   0.18) =   0.001%
          HA    GLN   17 - HB3   PRO   58  13.74 +/- 0.72   0.006% *  0.1667% (0.44   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   58  14.14 +/- 0.31   0.005% *  0.1922% (0.51   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  13.94 +/- 0.54   0.006% *  0.1190% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  19.49 +/- 0.72   0.001% *  0.3162% (0.83   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  20.40 +/- 0.30   0.001% *  0.3059% (0.81   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  24.31 +/- 1.88   0.000% *  0.3162% (0.83   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  22.60 +/- 0.28   0.000% *  0.0489% (0.13   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  28.15 +/- 0.61   0.000% *  0.1667% (0.44   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  26.47 +/- 0.50   0.000% *  0.0790% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.21, residual support = 142.5:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.998% * 98.9778% (0.84   4.21 142.48) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  11.00 +/- 0.51   0.002% *  0.2663% (0.47   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  17.13 +/- 0.24   0.000% *  0.3416% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.57 +/- 0.36   0.000% *  0.0726% (0.13   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  26.83 +/- 0.67   0.000% *  0.2109% (0.37   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  31.09 +/- 0.57   0.000% *  0.1308% (0.23   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 4.21, residual support = 142.5:
    * O T HG2   PRO   58 - HB3   PRO   58   2.31 +/- 0.00  99.992% * 98.1310% (0.84   4.21 142.48) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  13.67 +/- 0.31   0.002% *  0.4664% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  12.16 +/- 0.44   0.005% *  0.1439% (0.26   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.28 +/- 0.62   0.001% *  0.1750% (0.31   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  23.22 +/- 1.25   0.000% *  0.4623% (0.83   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  29.76 +/- 2.83   0.000% *  0.4571% (0.82   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  25.84 +/- 0.47   0.000% *  0.0923% (0.17   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  25.65 +/- 0.74   0.000% *  0.0720% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.0, residual support = 142.5:
    * O T HD2   PRO   58 - HB3   PRO   58   4.12 +/- 0.00  99.719% * 99.2238% (0.79   7.00 142.48) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  11.09 +/- 0.56   0.277% *  0.1022% (0.28   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  26.81 +/- 0.29   0.001% *  0.2970% (0.83   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  29.62 +/- 0.44   0.001% *  0.2937% (0.82   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  26.21 +/- 0.63   0.002% *  0.0833% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.963, support = 5.76, residual support = 137.1:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  46.100% * 93.4161% (1.00   5.98 142.48) =  96.254%  kept
          HA    ILE   56 - HG2   PRO   58   3.89 +/- 0.16  52.175% *  3.2081% (0.28   0.74   0.18) =   3.741%
          HA    THR   46 - HG3   PRO   52   7.47 +/- 0.64   1.220% *  0.1534% (0.49   0.02   0.02) =   0.004%
          HA    ILE   56 - HG3   PRO   52   8.84 +/- 0.31   0.394% *  0.0703% (0.23   0.02   0.02) =   0.001%
          HA    THR   46 - HG2   PRO   58  12.86 +/- 0.28   0.040% *  0.1895% (0.61   0.02   0.02) =   0.000%
        T HA    PRO   58 - HG3   PRO   52  13.55 +/- 0.24   0.029% *  0.2530% (0.81   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  15.25 +/- 0.68   0.015% *  0.1644% (0.53   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  15.33 +/- 0.49   0.014% *  0.1173% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  20.96 +/- 0.65   0.002% *  0.3118% (1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  21.11 +/- 0.36   0.002% *  0.3016% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  21.86 +/- 0.83   0.002% *  0.1331% (0.43   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  26.00 +/- 1.77   0.001% *  0.3118% (1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  24.94 +/- 0.68   0.001% *  0.2441% (0.78   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  26.76 +/- 0.72   0.001% *  0.2524% (0.81   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  24.66 +/- 0.51   0.001% *  0.0949% (0.30   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  23.15 +/- 0.33   0.001% *  0.0482% (0.15   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  29.17 +/- 0.56   0.000% *  0.1644% (0.53   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  32.34 +/- 1.62   0.000% *  0.2524% (0.81   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  27.04 +/- 0.49   0.000% *  0.0779% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.13 +/- 0.75   0.001% *  0.0390% (0.12   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  29.08 +/- 0.87   0.000% *  0.0631% (0.20   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.04 +/- 0.90   0.000% *  0.1331% (0.43   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.29, support = 5.62, residual support = 200.3:
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  95.836% * 15.4715% (0.12   6.00 213.75) =  81.185%  kept
    * O T HB2   PRO   58 - HG2   PRO   58   2.96 +/- 0.00   4.159% * 82.6213% (1.00   4.00 142.48) =  18.815%  kept
          HB2   GLN  116 - HG2   PRO   58  10.12 +/- 0.53   0.003% *  0.2339% (0.57   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  13.57 +/- 0.34   0.000% *  0.3344% (0.81   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.41 +/- 0.39   0.001% *  0.0637% (0.15   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  15.28 +/- 0.62   0.000% *  0.1893% (0.46   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.37 +/- 0.30   0.000% *  0.3000% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.60 +/- 0.67   0.000% *  0.2429% (0.59   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  27.36 +/- 0.73   0.000% *  0.1852% (0.45   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.54 +/- 0.87   0.000% *  0.0930% (0.23   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.20 +/- 0.78   0.000% *  0.1499% (0.36   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.91 +/- 0.48   0.000% *  0.1149% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 4.21, residual support = 142.5:
    * O T HB3   PRO   58 - HG2   PRO   58   2.31 +/- 0.00  99.313% * 94.2100% (0.84   4.21 142.48) =  99.997%  kept
          HB    ILE   56 - HG2   PRO   58   6.16 +/- 0.19   0.279% *  0.4477% (0.84   0.02   0.18) =   0.001%
          HB2   MET   92 - HG3   PRO   52   8.26 +/- 1.72   0.161% *  0.4188% (0.78   0.02   0.02) =   0.001%
          HB    ILE   56 - HG3   PRO   52   6.97 +/- 0.38   0.139% *  0.3625% (0.68   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG3   PRO   52   9.67 +/- 1.29   0.028% *  0.1339% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   8.66 +/- 0.46   0.038% *  0.0827% (0.15   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.78 +/- 0.32   0.034% *  0.0670% (0.12   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  13.67 +/- 0.31   0.002% *  0.3625% (0.68   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  16.63 +/- 0.96   0.001% *  0.5173% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  15.80 +/- 0.65   0.001% *  0.1784% (0.33   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  16.20 +/- 1.41   0.001% *  0.1629% (0.30   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  16.64 +/- 0.30   0.001% *  0.2204% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  15.75 +/- 0.31   0.001% *  0.0939% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  22.73 +/- 0.47   0.000% *  0.5360% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.48 +/- 1.20   0.000% *  0.1655% (0.31   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  23.88 +/- 0.80   0.000% *  0.4340% (0.81   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  18.66 +/- 0.73   0.000% *  0.0760% (0.14   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.46 +/- 1.19   0.000% *  0.2012% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  27.67 +/- 1.21   0.000% *  0.5071% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.25 +/- 0.65   0.000% *  0.1337% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  31.38 +/- 1.14   0.000% *  0.4105% (0.77   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  25.42 +/- 0.81   0.000% *  0.1082% (0.20   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  31.51 +/- 2.55   0.000% *  0.0939% (0.18   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  37.91 +/- 2.43   0.000% *  0.0760% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 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 = 0.946, support = 6.62, residual support = 142.5:
    * O T HD2   PRO   58 - HG2   PRO   58   2.91 +/- 0.00  98.034% * 98.2869% (0.95   6.62 142.48) =  99.998%  kept
          HB2   CYS   53 - HG3   PRO   52   5.83 +/- 0.55   1.830% *  0.0867% (0.28   0.02  50.59) =   0.002%
        T HD2   PRO   58 - HG3   PRO   52  10.13 +/- 0.31   0.056% *  0.2406% (0.77   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58   9.63 +/- 0.48   0.079% *  0.1071% (0.34   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  20.01 +/- 1.11   0.001% *  0.2493% (0.79   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  27.37 +/- 0.34   0.000% *  0.3113% (0.99   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  28.36 +/- 0.55   0.000% *  0.3079% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.95 +/- 1.03   0.000% *  0.2521% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  26.96 +/- 0.55   0.000% *  0.0873% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  30.12 +/- 0.63   0.000% *  0.0707% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 2.97, residual support = 54.4:
    * O T HB2   PHE   59 - HA    PHE   59   2.46 +/- 0.07  99.902% * 97.5885% (1.00   2.97  54.36) =  99.999%  kept
          QB    PHE   55 - HA    PHE   59   8.24 +/- 0.23   0.072% *  0.5900% (0.90   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  11.61 +/- 0.68   0.010% *  0.3990% (0.61   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  12.20 +/- 0.96   0.008% *  0.3461% (0.53   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  13.29 +/- 0.67   0.004% *  0.5495% (0.84   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  13.93 +/- 0.46   0.003% *  0.5268% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 3.93, residual support = 54.4:
    * O T HB3   PHE   59 - HA    PHE   59   3.06 +/- 0.02  99.999% * 99.7726% (1.00   3.93  54.36) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  20.74 +/- 0.76   0.001% *  0.2274% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 2.97, residual support = 54.4:
    * O T HA    PHE   59 - HB2   PHE   59   2.46 +/- 0.07  99.970% * 98.9218% (1.00   2.97  54.36) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59   9.55 +/- 0.24   0.030% *  0.3776% (0.57   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  19.43 +/- 0.25   0.000% *  0.1663% (0.25   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  25.72 +/- 0.66   0.000% *  0.4314% (0.65   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  23.66 +/- 0.45   0.000% *  0.1029% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 54.4:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.7400% (1.00   3.44  54.36) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  19.42 +/- 0.72   0.000% *  0.2600% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 3.93, residual support = 54.4:
    * O T HA    PHE   59 - HB3   PHE   59   3.06 +/- 0.02  99.948% * 99.1849% (1.00   3.93  54.36) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59  10.90 +/- 0.25   0.049% *  0.2854% (0.57   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.69 +/- 0.51   0.002% *  0.1257% (0.25   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  24.65 +/- 0.55   0.000% *  0.3261% (0.65   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  22.63 +/- 0.54   0.001% *  0.0778% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 54.4:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.954% * 97.9133% (1.00   3.44  54.36) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   6.60 +/- 0.30   0.036% *  0.5105% (0.90   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59   8.99 +/- 0.59   0.006% *  0.3453% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  10.94 +/- 0.48   0.002% *  0.4558% (0.80   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.18 +/- 0.79   0.002% *  0.2995% (0.53   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  15.07 +/- 0.53   0.000% *  0.4755% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 69.5:
    * O T HB2   PHE   60 - HA    PHE   60   2.80 +/- 0.04 100.000% * 99.5069% (1.00   4.00  69.47) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  23.19 +/- 0.41   0.000% *  0.4931% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 69.5:
    * O T HB3   PHE   60 - HA    PHE   60   3.00 +/- 0.02  99.919% * 98.9080% (1.00   4.00  69.47) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  10.28 +/- 0.31   0.063% *  0.2602% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  14.30 +/- 0.86   0.009% *  0.4678% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  15.01 +/- 0.43   0.007% *  0.2407% (0.49   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  19.74 +/- 0.56   0.001% *  0.1233% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 69.5:
    * O T HA    PHE   60 - HB2   PHE   60   2.80 +/- 0.04  99.955% * 99.2051% (1.00   4.00  69.47) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  11.38 +/- 0.20   0.022% *  0.1104% (0.22   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  14.28 +/- 0.24   0.006% *  0.3009% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  14.75 +/- 0.36   0.005% *  0.1692% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  13.41 +/- 0.65   0.009% *  0.0765% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.50 +/- 0.25   0.003% *  0.1379% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 69.5:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.998% * 98.9080% (1.00   4.00  69.47) = 100.000%  kept
          HB2   PHE   97 - HB2   PHE   60  11.89 +/- 0.33   0.001% *  0.2602% (0.53   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  13.28 +/- 0.49   0.001% *  0.2407% (0.49   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   PHE   60  15.51 +/- 0.74   0.000% *  0.4678% (0.95   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  19.56 +/- 0.57   0.000% *  0.1233% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 69.5:
    * O T HA    PHE   60 - HB3   PHE   60   3.00 +/- 0.02  99.909% * 99.2051% (1.00   4.00  69.47) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60  10.84 +/- 0.26   0.046% *  0.1104% (0.22   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  13.49 +/- 0.35   0.012% *  0.3009% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.49 +/- 0.27   0.012% *  0.1692% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  13.18 +/- 0.68   0.015% *  0.0765% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.40 +/- 0.24   0.006% *  0.1379% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 69.5:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.5069% (1.00   4.00  69.47) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  21.57 +/- 0.37   0.000% *  0.4931% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.8:
    * O T QB    ALA   61 - HA    ALA   61   2.14 +/- 0.01  99.893% * 93.9361% (1.00   2.21  17.77) =  99.999%  kept
          QG    LYS+  66 - HA    ALA   61   7.55 +/- 0.88   0.065% *  0.7093% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.69 +/- 0.60   0.013% *  0.8195% (0.97   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  11.40 +/- 0.56   0.005% *  0.7366% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   9.64 +/- 0.46   0.012% *  0.2361% (0.28   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  11.80 +/- 0.27   0.004% *  0.7839% (0.92   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  13.25 +/- 0.46   0.002% *  0.5494% (0.65   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.38 +/- 0.28   0.004% *  0.1681% (0.20   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  14.14 +/- 1.11   0.001% *  0.1681% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.72 +/- 0.63   0.000% *  0.2621% (0.31   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  22.47 +/- 1.12   0.000% *  0.8033% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  22.73 +/- 0.49   0.000% *  0.3807% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  24.37 +/- 0.83   0.000% *  0.4468% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.8:
    * O T HA    ALA   61 - QB    ALA   61   2.14 +/- 0.01  99.384% * 96.5600% (1.00   2.21  17.77) =  99.998%  kept
          HD3   PRO   58 - QB    ALA   61   5.23 +/- 0.10   0.472% *  0.3914% (0.45   0.02   1.23) =   0.002%
          HD3   PRO   58 - QB    ALA  110   6.51 +/- 0.17   0.127% *  0.2896% (0.33   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.38 +/- 0.63   0.008% *  0.8257% (0.95   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  11.80 +/- 0.27   0.004% *  0.6460% (0.74   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  12.42 +/- 0.38   0.003% *  0.1943% (0.22   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  13.13 +/- 0.26   0.002% *  0.1438% (0.16   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.76 +/- 0.42   0.000% *  0.6110% (0.70   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  16.63 +/- 0.43   0.000% *  0.1943% (0.22   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  17.01 +/- 0.31   0.000% *  0.1438% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.15 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   2.85 +/- 0.14  99.999% * 99.6240% (1.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  18.31 +/- 0.36   0.001% *  0.3760% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.46 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   2.88 +/- 0.16  99.998% * 98.2309% (0.98   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  17.91 +/- 0.39   0.002% *  0.5795% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  25.77 +/- 1.94   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  26.03 +/- 1.16   0.000% *  0.3252% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  33.45 +/- 0.44   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.40 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   2.85 +/- 0.14  99.984% * 98.8355% (1.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  12.49 +/- 0.55   0.016% *  0.3730% (0.57   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  24.12 +/- 0.58   0.000% *  0.6082% (0.92   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  31.54 +/- 0.66   0.000% *  0.1832% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.59 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 +/- 0.00 100.000% * 98.2309% (0.98   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  17.15 +/- 0.63   0.000% *  0.5795% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  26.90 +/- 1.85   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  27.12 +/- 1.05   0.000% *  0.3252% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  32.61 +/- 0.56   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.57 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   2.88 +/- 0.16  99.979% * 98.8355% (0.98   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  12.19 +/- 0.72   0.021% *  0.3730% (0.55   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  24.24 +/- 0.57   0.000% *  0.6082% (0.90   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  31.78 +/- 0.60   0.000% *  0.1832% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.60 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 +/- 0.00 100.000% * 99.6240% (0.98   3.00  41.03) = 100.000%  kept
        T HB2   PRO   52 - HB3   ASP-  62  16.80 +/- 0.57   0.000% *  0.3760% (0.55   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 243.5:
    * O T HB2   LEU   63 - HA    LEU   63   2.99 +/- 0.03  99.831% * 97.4956% (1.00   6.28 243.47) = 100.000%  kept
          HB3   ASP-  44 - HA    LEU   63   9.99 +/- 0.76   0.079% *  0.3043% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   63  10.66 +/- 0.60   0.053% *  0.2784% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  14.52 +/- 0.96   0.008% *  0.2486% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  14.07 +/- 0.44   0.009% *  0.2008% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  14.76 +/- 0.48   0.007% *  0.1757% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  17.05 +/- 0.48   0.003% *  0.2593% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  19.91 +/- 0.47   0.001% *  0.2784% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  15.21 +/- 0.43   0.006% *  0.0479% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  20.27 +/- 1.23   0.001% *  0.1392% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  21.62 +/- 0.27   0.001% *  0.2132% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  24.63 +/- 0.65   0.000% *  0.3043% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  25.49 +/- 0.30   0.000% *  0.0544% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 243.5:
    * O T HB3   LEU   63 - HA    LEU   63   2.58 +/- 0.10  96.328% * 99.1436% (1.00   5.98 243.47) =  99.995%  kept
          QD1   LEU  123 - HA    LEU   63   4.79 +/- 0.52   3.049% *  0.1131% (0.34   0.02   0.02) =   0.004%
          QG1   VAL   70 - HA    LEU   63   6.44 +/- 0.49   0.495% *  0.1878% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU   63   8.68 +/- 1.24   0.115% *  0.2278% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  11.81 +/- 0.78   0.012% *  0.1131% (0.34   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  15.89 +/- 0.35   0.002% *  0.2145% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 243.5:
    * O T HG    LEU   63 - HA    LEU   63   2.72 +/- 0.24  99.923% * 99.3739% (1.00   5.98 243.47) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   9.24 +/- 0.49   0.071% *  0.0513% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  14.68 +/- 0.92   0.005% *  0.2540% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  19.00 +/- 0.36   0.001% *  0.3208% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.6, support = 5.71, residual support = 243.5:
        T QD2   LEU   63 - HA    LEU   63   2.25 +/- 0.25  95.247% * 36.0065% (0.57   5.71 243.47) =  92.138%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.84 +/- 0.09   4.627% * 63.2409% (1.00   5.68 243.47) =   7.861%  kept
          QD2   LEU  115 - HA    LEU   63   7.33 +/- 0.44   0.111% *  0.1861% (0.84   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   63  10.22 +/- 0.58   0.013% *  0.1262% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  13.52 +/- 0.26   0.002% *  0.2229% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  21.01 +/- 1.04   0.000% *  0.1784% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  23.83 +/- 0.65   0.000% *  0.0390% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.973, support = 5.56, residual support = 237.0:
    *   T QD2   LEU   63 - HA    LEU   63   2.25 +/- 0.25  95.250% * 63.6288% (1.00   5.71 243.47) =  97.338%  kept
        T QD1   LEU   63 - HA    LEU   63   3.84 +/- 0.09   4.627% * 35.8212% (0.57   5.68 243.47) =   2.662%
          QD2   LEU  115 - HA    LEU   63   7.33 +/- 0.44   0.111% *  0.0556% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  11.44 +/- 0.21   0.006% *  0.1352% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  13.52 +/- 0.26   0.002% *  0.1262% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  12.95 +/- 0.97   0.003% *  0.0917% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  22.50 +/- 1.91   0.000% *  0.0917% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  21.01 +/- 1.04   0.000% *  0.0496% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 243.5:
    * O T HA    LEU   63 - HB2   LEU   63   2.99 +/- 0.03  99.998% * 99.6385% (1.00   6.28 243.47) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  20.48 +/- 0.63   0.001% *  0.2424% (0.76   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  19.73 +/- 0.43   0.001% *  0.1191% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 243.5:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.889% * 99.1887% (1.00   6.31 243.47) = 100.000%  kept
          QG1   VAL   18 - HB2   LEU   63   7.11 +/- 1.21   0.045% *  0.2158% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   7.23 +/- 0.70   0.029% *  0.1779% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   6.73 +/- 0.48   0.035% *  0.1072% (0.34   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  11.22 +/- 0.99   0.002% *  0.1072% (0.34   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  13.93 +/- 0.34   0.000% *  0.2032% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 243.5:
    * O T HG    LEU   63 - HB2   LEU   63   2.63 +/- 0.17  99.829% * 99.4069% (1.00   6.31 243.47) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.87 +/- 0.45   0.162% *  0.0486% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  13.09 +/- 0.95   0.008% *  0.2406% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  17.01 +/- 0.43   0.001% *  0.3039% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.957, support = 6.24, residual support = 243.5:
    * O T QD1   LEU   63 - HB2   LEU   63   2.24 +/- 0.12  83.639% * 63.3533% (1.00   6.24 243.47) =  90.095%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.07 +/- 0.29  16.198% * 35.9608% (0.57   6.26 243.47) =   9.904%  kept
          QD2   LEU  115 - HB2   LEU   63   6.61 +/- 0.54   0.151% *  0.1696% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  10.48 +/- 0.60   0.008% *  0.1150% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.94 +/- 0.38   0.004% *  0.2031% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  18.76 +/- 1.10   0.000% *  0.1626% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  21.53 +/- 0.66   0.000% *  0.0356% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.677, support = 6.24, residual support = 243.5:
      O T QD1   LEU   63 - HB2   LEU   63   2.24 +/- 0.12  83.633% * 35.9085% (0.57   6.24 243.47) =  74.462%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.07 +/- 0.29  16.197% * 63.5900% (1.00   6.26 243.47) =  25.538%  kept
          QD2   LEU  115 - HB2   LEU   63   6.61 +/- 0.54   0.151% *  0.0507% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  10.20 +/- 0.29   0.009% *  0.1233% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  11.70 +/- 1.08   0.005% *  0.0836% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.94 +/- 0.38   0.004% *  0.1151% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  20.18 +/- 1.98   0.000% *  0.0836% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  18.76 +/- 1.10   0.000% *  0.0453% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 243.5:
    * O T HA    LEU   63 - HB3   LEU   63   2.58 +/- 0.10  99.999% * 99.6203% (1.00   5.98 243.47) = 100.000%  kept
          HA2   GLY  101 - HB3   LEU   63  18.43 +/- 0.46   0.001% *  0.1251% (0.38   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LEU   63  21.20 +/- 0.67   0.000% *  0.2547% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 243.5:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.982% * 97.5083% (1.00   6.31 243.47) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   7.99 +/- 0.88   0.014% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.65 +/- 0.76   0.001% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  12.24 +/- 1.02   0.001% *  0.2473% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  12.41 +/- 0.57   0.001% *  0.1998% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  13.42 +/- 0.54   0.001% *  0.1749% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  15.65 +/- 0.56   0.000% *  0.2580% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  13.20 +/- 0.42   0.001% *  0.0477% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  17.78 +/- 0.65   0.000% *  0.2770% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  19.83 +/- 0.37   0.000% *  0.2122% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  18.93 +/- 1.15   0.000% *  0.1385% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  22.38 +/- 0.74   0.000% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  23.76 +/- 0.39   0.000% *  0.0541% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 243.5:
    * O T HG    LEU   63 - HB3   LEU   63   2.95 +/- 0.18  99.656% * 99.3761% (1.00   6.00 243.47) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.78 +/- 0.49   0.332% *  0.0511% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  14.30 +/- 0.97   0.009% *  0.2532% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  17.04 +/- 0.50   0.003% *  0.3197% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.824, support = 5.94, residual support = 243.5:
    * O T QD1   LEU   63 - HB3   LEU   63   2.47 +/- 0.13  45.368% * 63.3305% (1.00   5.94 243.47) =  59.442%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.43 +/- 0.33  54.532% * 35.9490% (0.57   5.95 243.47) =  40.557%  kept
          QD2   LEU  115 - HB3   LEU   63   7.26 +/- 0.60   0.078% *  0.1782% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63   9.14 +/- 0.61   0.017% *  0.1208% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  11.78 +/- 0.47   0.004% *  0.2133% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  19.18 +/- 1.11   0.000% *  0.1708% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  21.86 +/- 0.73   0.000% *  0.0374% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.861, support = 5.95, residual support = 243.5:
    * O T QD2   LEU   63 - HB3   LEU   63   2.43 +/- 0.33  54.532% * 63.5745% (1.00   5.95 243.47) =  68.038%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.47 +/- 0.13  45.366% * 35.8986% (0.57   5.94 243.47) =  31.962%  kept
          QD2   LEU  115 - HB3   LEU   63   7.26 +/- 0.60   0.078% *  0.0533% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63   9.57 +/- 0.39   0.013% *  0.1295% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  10.99 +/- 1.06   0.007% *  0.0878% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  11.78 +/- 0.47   0.004% *  0.1209% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  20.62 +/- 1.94   0.000% *  0.0878% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  19.18 +/- 1.11   0.000% *  0.0476% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 243.5:
    * O T HA    LEU   63 - HG    LEU   63   2.72 +/- 0.24  99.999% * 99.6203% (1.00   5.98 243.47) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  22.72 +/- 0.73   0.000% *  0.2547% (0.76   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  20.38 +/- 0.79   0.001% *  0.1251% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 243.5:
    * O T HB2   LEU   63 - HG    LEU   63   2.63 +/- 0.17  99.866% * 97.5083% (1.00   6.31 243.47) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   9.11 +/- 0.93   0.075% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  10.66 +/- 0.65   0.028% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  12.07 +/- 0.48   0.011% *  0.1998% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  14.13 +/- 1.22   0.005% *  0.2473% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  14.62 +/- 0.54   0.004% *  0.2580% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  15.47 +/- 0.81   0.003% *  0.1749% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  13.82 +/- 0.44   0.006% *  0.0477% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  20.17 +/- 0.80   0.001% *  0.2770% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  20.48 +/- 0.46   0.000% *  0.2122% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  23.69 +/- 0.92   0.000% *  0.3027% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  21.25 +/- 1.18   0.000% *  0.1385% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  23.97 +/- 0.32   0.000% *  0.0541% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 243.5:
    * O T HB3   LEU   63 - HG    LEU   63   2.95 +/- 0.18  95.031% * 99.1466% (1.00   6.00 243.47) =  99.994%  kept
          QD1   LEU  123 - HG    LEU   63   5.04 +/- 0.57   4.404% *  0.1127% (0.34   0.02   0.02) =   0.005%
          QG1   VAL   70 - HG    LEU   63   7.75 +/- 0.81   0.372% *  0.1871% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU   63   9.02 +/- 1.09   0.165% *  0.2270% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  12.76 +/- 1.09   0.019% *  0.1127% (0.34   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  14.08 +/- 0.34   0.008% *  0.2138% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.845, support = 5.67, residual support = 243.5:
    * O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.01  50.594% * 63.2406% (1.00   5.66 243.47) =  64.372%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.185% * 36.0041% (0.57   5.69 243.47) =  35.627%  kept
          QD2   LEU  115 - HG    LEU   63   5.42 +/- 0.67   0.216% *  0.1868% (0.84   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HG    LEU   63  10.44 +/- 0.62   0.004% *  0.1266% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  13.67 +/- 0.57   0.001% *  0.2236% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  20.41 +/- 1.14   0.000% *  0.1791% (0.80   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  22.94 +/- 0.88   0.000% *  0.0392% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 0.841, support = 5.68, residual support = 243.5:
    * O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.185% * 63.6261% (1.00   5.69 243.47) =  63.326%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.01  50.595% * 35.8219% (0.57   5.66 243.47) =  36.674%  kept
          QD2   LEU  115 - HG    LEU   63   5.42 +/- 0.67   0.216% *  0.0558% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.54 +/- 0.67   0.002% *  0.1357% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.67 +/- 1.12   0.001% *  0.0920% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  13.67 +/- 0.57   0.001% *  0.1267% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  21.73 +/- 2.03   0.000% *  0.0920% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  20.41 +/- 1.14   0.000% *  0.0498% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 1.0, support = 5.68, residual support = 243.5:
    *   T HA    LEU   63 - QD1   LEU   63   3.84 +/- 0.09  97.540% * 98.6776% (1.00   5.68 243.47) =  99.998%  kept
          HB2   HIS   22 - QD1   LEU   73   9.59 +/- 0.19   0.406% *  0.2657% (0.76   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   7.88 +/- 0.72   1.569% *  0.0319% (0.09   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU  104  10.22 +/- 0.58   0.293% *  0.0851% (0.24   0.02   0.02) =   0.000%
        T HA    LEU   63 - QD1   LEU   73  13.52 +/- 0.26   0.052% *  0.3477% (1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  12.28 +/- 1.12   0.107% *  0.1305% (0.38   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  15.75 +/- 0.42   0.021% *  0.1305% (0.38   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  18.07 +/- 0.53   0.009% *  0.2657% (0.76   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  22.05 +/- 0.64   0.003% *  0.0650% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 243.4:
    * O T HB2   LEU   63 - QD1   LEU   63   2.24 +/- 0.12  92.176% * 94.1581% (1.00   6.24 243.47) =  99.989%  kept
          HB2   LEU   31 - QD1   LEU   73   4.28 +/- 0.26   2.092% *  0.2707% (0.90   0.02   5.09) =   0.007%
          HG2   LYS+  99 - QD1   LEU  104   3.72 +/- 0.24   4.962% *  0.0418% (0.14   0.02  19.19) =   0.002%
          HB3   ASP-  44 - QD1   LEU   63   6.26 +/- 0.79   0.261% *  0.2958% (0.98   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   73   8.17 +/- 1.03   0.058% *  0.2417% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   8.16 +/- 0.61   0.045% *  0.2958% (0.98   0.02   6.99) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.63 +/- 0.67   0.188% *  0.0592% (0.20   0.02   6.99) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.57 +/- 0.28   0.031% *  0.1953% (0.65   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63   9.50 +/- 0.45   0.017% *  0.2707% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.25 +/- 1.11   0.013% *  0.2417% (0.80   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73  10.57 +/- 0.40   0.009% *  0.2958% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  10.65 +/- 0.40   0.009% *  0.2521% (0.84   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  11.94 +/- 0.38   0.004% *  0.3018% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  11.79 +/- 0.31   0.005% *  0.2073% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  11.70 +/- 0.63   0.005% *  0.1709% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.24 +/- 0.90   0.012% *  0.0663% (0.22   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  10.48 +/- 0.60   0.009% *  0.0739% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.76 +/- 0.29   0.015% *  0.0466% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  12.22 +/- 0.49   0.004% *  0.1709% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104   9.46 +/- 0.44   0.017% *  0.0331% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   8.05 +/- 0.46   0.049% *  0.0114% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  12.33 +/- 0.74   0.004% *  0.1353% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.36 +/- 0.68   0.002% *  0.1953% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.60 +/- 0.48   0.001% *  0.2707% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.74 +/- 0.84   0.003% *  0.0724% (0.24   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  15.73 +/- 0.38   0.001% *  0.2073% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  13.24 +/- 0.54   0.002% *  0.0663% (0.22   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  18.19 +/- 0.79   0.000% *  0.2958% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.19 +/- 0.62   0.000% *  0.2521% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  13.81 +/- 0.58   0.002% *  0.0466% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  18.67 +/- 0.73   0.000% *  0.2707% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  17.09 +/- 0.77   0.001% *  0.1353% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.12 +/- 0.54   0.001% *  0.0617% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.10 +/- 0.50   0.001% *  0.0478% (0.16   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  16.71 +/- 0.54   0.001% *  0.0529% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  18.56 +/- 0.26   0.000% *  0.0529% (0.18   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  19.32 +/- 0.62   0.000% *  0.0507% (0.17   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  21.11 +/- 1.08   0.000% *  0.0724% (0.24   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  22.36 +/- 0.53   0.000% *  0.0129% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 243.4:
    * O T HB3   LEU   63 - QD1   LEU   63   2.47 +/- 0.13  90.880% * 97.6831% (1.00   5.94 243.47) =  99.989%  kept
          QD1   LEU   71 - QD1   LEU   73   4.62 +/- 1.10   5.798% *  0.1122% (0.34   0.02   0.02) =   0.007%
          QD1   LEU  123 - QD1   LEU   63   5.34 +/- 0.30   0.929% *  0.1122% (0.34   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   6.43 +/- 0.59   0.343% *  0.2260% (0.69   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   5.27 +/- 0.72   1.326% *  0.0456% (0.14   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   63   6.59 +/- 0.55   0.293% *  0.1863% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   7.20 +/- 0.90   0.213% *  0.2260% (0.69   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   9.22 +/- 0.44   0.036% *  0.1863% (0.57   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63  10.17 +/- 0.28   0.019% *  0.2129% (0.65   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.14 +/- 0.61   0.041% *  0.0805% (0.24   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  11.78 +/- 0.47   0.008% *  0.3290% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.27 +/- 0.85   0.021% *  0.1122% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   9.12 +/- 0.59   0.038% *  0.0275% (0.08   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.46 +/- 0.66   0.034% *  0.0275% (0.08   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  13.19 +/- 0.86   0.004% *  0.2129% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  11.78 +/- 1.10   0.009% *  0.0553% (0.17   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.83 +/- 0.42   0.002% *  0.1122% (0.34   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  13.22 +/- 0.68   0.004% *  0.0521% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 243.5:
    * O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.01  98.754% * 98.1013% (1.00   5.66 243.47) =  99.998%  kept
          QG2   VAL   24 - QD1   LEU   73   5.37 +/- 0.10   0.352% *  0.3348% (0.97   0.02   0.02) =   0.001%
        T QG1   VAL  107 - QD1   LEU   63   4.75 +/- 0.41   0.842% *  0.0535% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.69 +/- 0.96   0.013% *  0.2651% (0.76   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.44 +/- 0.62   0.007% *  0.0849% (0.24   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  13.67 +/- 0.57   0.001% *  0.3469% (1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU   63  14.26 +/- 0.40   0.001% *  0.3348% (0.97   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.38 +/- 0.34   0.026% *  0.0131% (0.04   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  11.70 +/- 0.36   0.003% *  0.0535% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU  104  14.62 +/- 0.66   0.001% *  0.0820% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.50 +/- 0.76   0.000% *  0.2651% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.53 +/- 0.66   0.000% *  0.0649% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 243.5:
    *   T HA    LEU   63 - QD2   LEU   63   2.25 +/- 0.25  99.999% * 99.6023% (1.00   5.71 243.47) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  16.00 +/- 0.98   0.001% *  0.1310% (0.38   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  19.71 +/- 0.49   0.000% *  0.2667% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 243.5:
    * O T HB2   LEU   63 - QD2   LEU   63   3.07 +/- 0.29  99.016% * 97.4854% (1.00   6.26 243.47) =  99.997%  kept
          QB    ALA  124 - QD2   LEU   63   8.03 +/- 0.56   0.407% *  0.2795% (0.90   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD2   LEU   63   8.33 +/- 0.85   0.298% *  0.3055% (0.98   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   63  11.09 +/- 1.24   0.070% *  0.2496% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63  10.83 +/- 0.66   0.053% *  0.2016% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  11.77 +/- 1.09   0.044% *  0.1765% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  12.31 +/- 0.59   0.025% *  0.2603% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63  10.67 +/- 0.66   0.071% *  0.0481% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  16.58 +/- 0.70   0.005% *  0.2795% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  16.79 +/- 1.29   0.005% *  0.1397% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  17.60 +/- 0.40   0.003% *  0.2141% (0.69   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  20.25 +/- 0.78   0.001% *  0.3055% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  20.47 +/- 0.47   0.001% *  0.0546% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 243.4:
    * O T HB3   LEU   63 - QD2   LEU   63   2.43 +/- 0.33  88.586% * 99.1399% (1.00   5.95 243.47) =  99.985%  kept
          QD1   LEU  123 - QD2   LEU   63   3.65 +/- 0.50  10.623% *  0.1136% (0.34   0.02   0.02) =   0.014%
          QG1   VAL   70 - QD2   LEU   63   5.73 +/- 0.83   0.631% *  0.1886% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU   63   8.20 +/- 1.02   0.135% *  0.2288% (0.69   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  11.77 +/- 0.37   0.010% *  0.2155% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU   63  10.52 +/- 0.97   0.015% *  0.1136% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 243.5:
    * O T HG    LEU   63 - QD2   LEU   63   2.11 +/- 0.02  99.763% * 99.3420% (1.00   5.69 243.47) = 100.000%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.92 +/- 0.48   0.231% *  0.0539% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU   63  11.14 +/- 0.99   0.005% *  0.2670% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD2   LEU   63  15.66 +/- 0.48   0.001% *  0.3372% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 20.8:
    * O T QB    ALA   64 - HA    ALA   64   2.14 +/- 0.01 100.000% * 99.8252% (1.00   2.00  20.79) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  16.39 +/- 0.34   0.000% *  0.1748% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 1.0, support = 2.0, residual support = 20.8:
    * O T HA    ALA   64 - QB    ALA   64   2.14 +/- 0.01  90.170% * 99.3207% (1.00   2.00  20.79) =  99.959%  kept
        T HB2   PHE   72 - QB    ALA   64   3.23 +/- 0.36   9.829% *  0.3728% (0.38   0.02  39.27) =   0.041%
          HB3   ASN   35 - QB    ALA   64  15.83 +/- 0.62   0.001% *  0.3066% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.923, support = 6.3, residual support = 160.5:
    * O T QB    LYS+  65 - HA    LYS+  65   2.43 +/- 0.08  98.798% * 98.3614% (0.92   6.30 160.53) =  99.998%  kept
          QB    LYS+  66 - HA    LYS+  65   5.37 +/- 0.10   0.866% *  0.1769% (0.52   0.02  26.46) =   0.002%
          HB3   GLN   17 - HA    LYS+  65   6.89 +/- 0.96   0.282% *  0.1895% (0.56   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  65  11.92 +/- 0.45   0.007% *  0.3118% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121   9.32 +/- 0.44   0.033% *  0.0200% (0.06   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  14.87 +/- 0.79   0.002% *  0.1173% (0.35   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  13.57 +/- 0.40   0.003% *  0.0346% (0.10   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  19.98 +/- 0.55   0.000% *  0.3063% (0.90   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  13.99 +/- 0.45   0.003% *  0.0353% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  19.66 +/- 0.96   0.000% *  0.2610% (0.77   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  20.19 +/- 0.81   0.000% *  0.0779% (0.23   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  18.49 +/- 0.37   0.001% *  0.0352% (0.10   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  15.23 +/- 0.53   0.002% *  0.0088% (0.03   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  19.24 +/- 0.36   0.000% *  0.0295% (0.09   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  17.12 +/- 0.88   0.001% *  0.0132% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  21.81 +/- 0.64   0.000% *  0.0214% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.833, support = 5.19, residual support = 161.2:
    * O T HG2   LYS+  65 - HA    LYS+  65   3.07 +/- 0.48  37.142% * 82.3077% (0.92   5.27 160.53) =  90.035%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.85 +/- 0.10  49.357% *  3.6402% (0.03   8.29 314.58) =   5.291%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.73 +/- 0.51  12.716% * 12.4650% (0.10   7.14 314.58) =   4.668%
        T QD    LYS+  66 - HA    LYS+  65   5.94 +/- 0.57   0.704% *  0.2266% (0.67   0.02  26.46) =   0.005%
          HB2   LYS+  74 - HA    LYS+  65  11.76 +/- 0.36   0.010% *  0.2607% (0.77   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  11.98 +/- 0.91   0.010% *  0.0695% (0.21   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  10.50 +/- 0.88   0.024% *  0.0256% (0.08   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.97 +/- 0.47   0.002% *  0.3093% (0.91   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.07 +/- 1.38   0.001% *  0.3093% (0.91   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.63 +/- 0.58   0.004% *  0.0482% (0.14   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.04 +/- 0.56   0.002% *  0.0778% (0.23   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.37 +/- 0.47   0.013% *  0.0088% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  16.87 +/- 0.56   0.001% *  0.0778% (0.23   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.64 +/- 0.62   0.007% *  0.0078% (0.02   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.00 +/- 0.72   0.001% *  0.0352% (0.10   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.06 +/- 0.34   0.003% *  0.0062% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.51 +/- 0.45   0.000% *  0.0547% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  20.75 +/- 0.40   0.000% *  0.0294% (0.09   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  23.85 +/- 0.40   0.000% *  0.0349% (0.10   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.32 +/- 0.61   0.000% *  0.0054% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.92, support = 5.25, residual support = 159.9:
    * O T HG3   LYS+  65 - HA    LYS+  65   2.55 +/- 0.62  87.968% * 94.0799% (0.92   5.27 160.53) =  99.619%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.15 +/- 0.36  11.929% *  2.6503% (0.02   6.65 314.58) =   0.381%
          HB    VAL   42 - HA    LYS+  65   9.96 +/- 0.35   0.037% *  0.3567% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.38 +/- 0.55   0.005% *  0.3536% (0.91   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.32 +/- 1.13   0.004% *  0.2590% (0.67   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.05 +/- 0.43   0.008% *  0.0794% (0.21   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.52 +/- 1.26   0.001% *  0.3536% (0.91   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+ 121  11.98 +/- 0.32   0.014% *  0.0349% (0.09   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.38 +/- 0.25   0.002% *  0.1599% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.81 +/- 0.49   0.007% *  0.0403% (0.10   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  20.63 +/- 0.59   0.001% *  0.3374% (0.87   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  20.56 +/- 0.43   0.001% *  0.3094% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  17.74 +/- 0.60   0.001% *  0.1101% (0.28   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.08 +/- 0.89   0.002% *  0.0706% (0.18   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  17.58 +/- 1.04   0.001% *  0.0706% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  17.13 +/- 1.23   0.002% *  0.0395% (0.10   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.18 +/- 0.30   0.005% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  16.18 +/- 0.32   0.002% *  0.0381% (0.10   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  24.11 +/- 0.72   0.000% *  0.3496% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.35 +/- 0.62   0.002% *  0.0403% (0.10   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  22.91 +/- 0.25   0.000% *  0.0992% (0.26   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.19 +/- 0.77   0.001% *  0.0399% (0.10   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  15.56 +/- 0.86   0.003% *  0.0080% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.99 +/- 0.29   0.001% *  0.0124% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  24.73 +/- 1.61   0.000% *  0.0399% (0.10   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.38 +/- 1.45   0.000% *  0.0292% (0.08   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.37 +/- 0.38   0.000% *  0.0090% (0.02   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  25.43 +/- 0.61   0.000% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.622, support = 6.03, residual support = 217.2:
    *   T QD    LYS+  65 - HA    LYS+  65   3.45 +/- 0.27  24.729% * 81.9076% (0.92   4.75 160.53) =  63.182%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.85 +/- 0.09  73.757% * 16.0027% (0.10   8.24 314.58) =  36.817%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.54 +/- 0.27   1.454% *  0.0133% (0.04   0.02   2.19) =   0.001%
          QB    ALA   57 - HA    LYS+  65  10.93 +/- 0.24   0.024% *  0.0959% (0.26   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  13.55 +/- 0.74   0.007% *  0.1953% (0.52   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.28 +/- 0.73   0.003% *  0.3443% (0.92   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.25 +/- 2.31   0.003% *  0.3185% (0.85   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.96 +/- 0.69   0.006% *  0.1177% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.59 +/- 0.76   0.001% *  0.1295% (0.35   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.40 +/- 0.51   0.002% *  0.0389% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.23 +/- 1.27   0.004% *  0.0220% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.23 +/- 0.50   0.000% *  0.1953% (0.52   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.51 +/- 0.70   0.001% *  0.0359% (0.10   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  28.44 +/- 0.60   0.000% *  0.3420% (0.91   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.01 +/- 0.57   0.002% *  0.0097% (0.03   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.56 +/- 0.17   0.002% *  0.0108% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.13 +/- 0.46   0.000% *  0.0860% (0.23   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  15.69 +/- 0.83   0.003% *  0.0060% (0.02   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.35 +/- 0.64   0.000% *  0.0532% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.56 +/- 0.57   0.001% *  0.0220% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  20.47 +/- 0.29   0.001% *  0.0146% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  31.06 +/- 1.33   0.000% *  0.0386% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 160.5:
    *   T QE    LYS+  65 - HA    LYS+  65   3.90 +/- 0.71  99.896% * 98.2190% (0.92   4.75 160.53) = 100.000%  kept
        T QE    LYS+  33 - HA    LYS+  65  14.71 +/- 1.51   0.059% *  0.3710% (0.83   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  20.61 +/- 0.68   0.006% *  0.2509% (0.56   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  22.72 +/- 0.54   0.003% *  0.3993% (0.89   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  16.86 +/- 0.94   0.023% *  0.0467% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  24.08 +/- 0.95   0.002% *  0.1553% (0.35   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  22.06 +/- 1.40   0.005% *  0.0419% (0.09   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  33.14 +/- 0.38   0.000% *  0.3819% (0.85   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  22.95 +/- 0.69   0.003% *  0.0283% (0.06   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  27.99 +/- 0.50   0.001% *  0.0451% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  34.43 +/- 1.31   0.000% *  0.0431% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  30.05 +/- 0.68   0.001% *  0.0175% (0.04   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 = 6.3, residual support = 160.5:
    * O T HA    LYS+  65 - QB    LYS+  65   2.43 +/- 0.08  99.713% * 97.8767% (0.92   6.30 160.53) =  99.999%  kept
          HA2   GLY   16 - QB    LYS+  65   6.90 +/- 0.91   0.270% *  0.3251% (0.97   0.02   0.02) =   0.001%
          HA    ALA  120 - QB    LYS+  65  11.65 +/- 0.75   0.009% *  0.3186% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  13.99 +/- 0.45   0.003% *  0.1907% (0.57   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  17.40 +/- 0.73   0.001% *  0.2574% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.47 +/- 0.20   0.001% *  0.2179% (0.65   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.97 +/- 0.28   0.002% *  0.0840% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.61 +/- 0.31   0.001% *  0.1640% (0.49   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  18.50 +/- 0.25   0.001% *  0.1149% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  26.25 +/- 0.40   0.000% *  0.3251% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  20.74 +/- 0.44   0.000% *  0.0667% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  28.54 +/- 0.36   0.000% *  0.0590% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 1.0, support = 5.59, residual support = 160.5:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.32 +/- 0.14  94.283% * 98.3838% (1.00   5.59 160.53) =  99.984%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.39 +/- 0.78   5.693% *  0.2554% (0.73   0.02  26.46) =   0.016%
          HB2   LYS+  74 - QB    LYS+  65  11.26 +/- 0.38   0.008% *  0.2938% (0.84   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QB    LYS+  65  15.00 +/- 1.08   0.001% *  0.3487% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  12.20 +/- 0.76   0.005% *  0.0783% (0.22   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  15.62 +/- 0.52   0.001% *  0.3487% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  13.13 +/- 0.49   0.003% *  0.0877% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  12.31 +/- 0.57   0.005% *  0.0543% (0.15   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  16.10 +/- 0.42   0.001% *  0.0877% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.41 +/- 0.33   0.001% *  0.0616% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 5.07, residual support = 160.5:
    * O T QD    LYS+  65 - QB    LYS+  65   2.12 +/- 0.14  99.967% * 97.8986% (1.00   5.07 160.53) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   8.70 +/- 0.23   0.023% *  0.1074% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.24 +/- 0.55   0.002% *  0.3853% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  11.48 +/- 0.67   0.004% *  0.1317% (0.34   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  12.43 +/- 0.70   0.003% *  0.2186% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  18.83 +/- 1.96   0.001% *  0.3564% (0.92   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  16.69 +/- 0.65   0.000% *  0.1449% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.78 +/- 0.49   0.000% *  0.2186% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  20.57 +/- 0.34   0.000% *  0.0963% (0.25   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  25.97 +/- 0.58   0.000% *  0.3827% (0.99   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.76 +/- 0.53   0.000% *  0.0596% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 5.07, residual support = 160.5:
    *   T QE    LYS+  65 - QB    LYS+  65   3.01 +/- 0.66  99.983% * 98.5361% (1.00   5.07 160.53) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  15.13 +/- 1.32   0.012% *  0.3485% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  21.89 +/- 0.50   0.001% *  0.3750% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  20.31 +/- 0.56   0.002% *  0.2357% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  21.62 +/- 0.91   0.001% *  0.1459% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  29.98 +/- 0.32   0.000% *  0.3587% (0.92   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 160.5:
    * O T HA    LYS+  65 - HG2   LYS+  65   3.07 +/- 0.48  99.283% * 97.4762% (0.92   5.27 160.53) =  99.997%  kept
          HA2   GLY   16 - HG2   LYS+  65   7.64 +/- 0.93   0.679% *  0.3864% (0.97   0.02   0.02) =   0.003%
        T HA    ALA  120 - HG2   LYS+  65  14.57 +/- 1.18   0.018% *  0.3787% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.00 +/- 0.72   0.006% *  0.2267% (0.57   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  18.01 +/- 1.61   0.003% *  0.3060% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  18.98 +/- 0.64   0.002% *  0.2590% (0.65   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  17.60 +/- 0.49   0.004% *  0.0998% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  19.77 +/- 1.04   0.002% *  0.1949% (0.49   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  19.82 +/- 0.84   0.002% *  0.1366% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  28.16 +/- 1.12   0.000% *  0.3864% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  22.60 +/- 0.95   0.001% *  0.0792% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  30.78 +/- 0.92   0.000% *  0.0701% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 160.5:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.32 +/- 0.14  99.342% * 98.3782% (1.00   5.59 160.53) =  99.999%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.32 +/- 0.65   0.357% *  0.1991% (0.57   0.02  26.46) =   0.001%
          HB3   GLN   17 - HG2   LYS+  65   7.45 +/- 1.60   0.295% *  0.2133% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+  65  13.61 +/- 0.89   0.003% *  0.3510% (1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  16.28 +/- 1.07   0.001% *  0.1320% (0.38   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  18.20 +/- 1.10   0.000% *  0.2938% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.41 +/- 0.61   0.000% *  0.3448% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.19 +/- 0.92   0.000% *  0.0877% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 160.5:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.33 +/- 0.08  99.955% * 97.6057% (1.00   4.44 160.53) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+  65   8.94 +/- 0.75   0.035% *  0.1223% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  65  12.56 +/- 1.42   0.005% *  0.2491% (0.57   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  15.93 +/- 0.77   0.001% *  0.4390% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  14.52 +/- 1.05   0.002% *  0.1501% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  21.30 +/- 2.24   0.000% *  0.4061% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  17.99 +/- 0.97   0.001% *  0.1651% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  23.58 +/- 0.60   0.000% *  0.2491% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  27.80 +/- 1.12   0.000% *  0.4360% (0.99   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  23.28 +/- 0.55   0.000% *  0.1097% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.39 +/- 0.65   0.000% *  0.0679% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 160.5:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.62 +/- 0.19  99.997% * 98.3305% (1.00   4.44 160.53) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  16.33 +/- 1.77   0.002% *  0.3975% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  23.34 +/- 1.13   0.000% *  0.4277% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  22.28 +/- 0.87   0.000% *  0.2688% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  22.66 +/- 1.52   0.000% *  0.1663% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  32.35 +/- 1.09   0.000% *  0.4091% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 160.5:
    *   T HA    LYS+  65 - QD    LYS+  65   3.45 +/- 0.27  95.007% * 94.6666% (0.92   4.75 160.53) =  99.987%  kept
          HA2   GLY   16 - QD    LYS+  65   6.84 +/- 0.96   2.718% *  0.4169% (0.97   0.02   0.02) =   0.013%
          QB    SER  117 - HD3   LYS+ 111   8.11 +/- 0.41   0.653% *  0.0267% (0.06   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   7.72 +/- 0.66   0.947% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.90 +/- 0.81   0.026% *  0.4086% (0.95   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  11.63 +/- 0.70   0.077% *  0.0692% (0.16   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38   9.64 +/- 0.40   0.226% *  0.0156% (0.04   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  17.42 +/- 2.59   0.041% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  11.98 +/- 0.58   0.064% *  0.0428% (0.10   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  17.25 +/- 1.13   0.007% *  0.3301% (0.76   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  65  16.40 +/- 0.51   0.009% *  0.2446% (0.57   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.25 +/- 2.31   0.015% *  0.0728% (0.17   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.99 +/- 0.36   0.004% *  0.2794% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  15.23 +/- 1.27   0.016% *  0.0618% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.49 +/- 0.31   0.009% *  0.1012% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.74 +/- 0.72   0.004% *  0.2103% (0.49   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  16.96 +/- 0.37   0.007% *  0.1077% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  15.73 +/- 0.70   0.012% *  0.0626% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  16.01 +/- 0.57   0.011% *  0.0605% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.77 +/- 0.55   0.017% *  0.0365% (0.08   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.90 +/- 0.82   0.008% *  0.0706% (0.16   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  19.09 +/- 0.57   0.004% *  0.1473% (0.34   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  14.15 +/- 1.23   0.024% *  0.0216% (0.05   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  14.11 +/- 0.65   0.022% *  0.0226% (0.05   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  15.69 +/- 0.83   0.013% *  0.0375% (0.09   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  19.18 +/- 1.12   0.004% *  0.1033% (0.24   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  15.91 +/- 1.19   0.013% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  18.28 +/- 0.64   0.005% *  0.0521% (0.12   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  26.65 +/- 0.73   0.000% *  0.4169% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  17.44 +/- 0.73   0.006% *  0.0322% (0.07   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  18.51 +/- 0.70   0.004% *  0.0447% (0.10   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  20.79 +/- 0.36   0.002% *  0.0817% (0.19   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  21.40 +/- 1.10   0.002% *  0.0746% (0.17   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  22.23 +/- 0.50   0.001% *  0.1008% (0.23   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  21.73 +/- 0.70   0.002% *  0.0855% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  22.52 +/- 1.08   0.001% *  0.1054% (0.24   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  20.46 +/- 0.42   0.002% *  0.0506% (0.12   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  23.40 +/- 0.98   0.001% *  0.1032% (0.24   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.39 +/- 0.96   0.002% *  0.0510% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  24.13 +/- 0.46   0.001% *  0.0987% (0.23   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.35 +/- 0.64   0.001% *  0.0611% (0.14   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  23.74 +/- 1.26   0.001% *  0.0639% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  26.03 +/- 1.01   0.001% *  0.1054% (0.24   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  25.28 +/- 0.66   0.001% *  0.0834% (0.19   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  20.86 +/- 0.73   0.002% *  0.0197% (0.05   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  28.29 +/- 0.69   0.000% *  0.1032% (0.24   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  26.07 +/- 1.20   0.001% *  0.0603% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.93 +/- 0.81   0.002% *  0.0187% (0.04   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  27.67 +/- 0.78   0.000% *  0.0639% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  28.78 +/- 0.93   0.000% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  29.24 +/- 0.59   0.000% *  0.0757% (0.18   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  22.35 +/- 1.23   0.001% *  0.0116% (0.03   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  27.01 +/- 1.11   0.000% *  0.0372% (0.09   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  29.84 +/- 0.94   0.000% *  0.0531% (0.12   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  28.09 +/- 1.07   0.000% *  0.0191% (0.04   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  30.31 +/- 1.53   0.000% *  0.0269% (0.06   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.31 +/- 1.59   0.000% *  0.0384% (0.09   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  29.39 +/- 1.22   0.000% *  0.0212% (0.05   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  29.78 +/- 1.07   0.000% *  0.0131% (0.03   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  32.41 +/- 0.88   0.000% *  0.0138% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.887, support = 5.02, residual support = 160.4:
    * O T QB    LYS+  65 - QD    LYS+  65   2.12 +/- 0.14  56.578% * 78.8848% (1.00   5.07 160.53) =  85.007%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.26 +/- 0.34  43.018% * 18.2982% (0.25   4.75 159.45) =  14.993%  kept
          HB3   GLN   17 - QD    LYS+  65   7.06 +/- 1.15   0.078% *  0.1887% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.47 +/- 0.32   0.071% *  0.1761% (0.57   0.02  26.46) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  11.16 +/- 1.67   0.102% *  0.0567% (0.18   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.73 +/- 0.72   0.093% *  0.0196% (0.06   0.02  22.37) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   8.17 +/- 1.87   0.028% *  0.0557% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111   9.92 +/- 0.74   0.006% *  0.0643% (0.21   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.48 +/- 0.69   0.007% *  0.0398% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.68 +/- 0.59   0.001% *  0.3104% (1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.12 +/- 0.91   0.009% *  0.0213% (0.07   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  11.73 +/- 1.21   0.003% *  0.0295% (0.09   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.98 +/- 1.02   0.000% *  0.2599% (0.84   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.34 +/- 0.82   0.000% *  0.1168% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.36 +/- 0.55   0.000% *  0.0785% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  18.83 +/- 1.96   0.000% *  0.0568% (0.18   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  12.31 +/- 1.21   0.002% *  0.0142% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.67 +/- 1.63   0.001% *  0.0322% (0.10   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.66 +/- 0.51   0.000% *  0.3050% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  19.50 +/- 2.42   0.000% *  0.0345% (0.11   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  19.39 +/- 1.11   0.000% *  0.0755% (0.24   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.67 +/- 0.72   0.000% *  0.0445% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.47 +/- 0.55   0.000% *  0.0436% (0.14   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  20.57 +/- 0.34   0.000% *  0.0770% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.78 +/- 0.49   0.000% *  0.0786% (0.25   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.90 +/- 0.73   0.000% *  0.0776% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.79 +/- 0.76   0.000% *  0.0270% (0.09   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.76 +/- 0.53   0.000% *  0.0477% (0.15   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.02 +/- 1.03   0.000% *  0.0467% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  17.66 +/- 1.13   0.000% *  0.0192% (0.06   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  22.01 +/- 0.75   0.000% *  0.0657% (0.21   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  18.36 +/- 1.03   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.00 +/- 0.75   0.000% *  0.0769% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.89 +/- 0.82   0.000% *  0.0477% (0.15   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  22.40 +/- 1.35   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.95 +/- 0.73   0.000% *  0.0476% (0.15   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  26.13 +/- 1.18   0.000% *  0.0475% (0.15   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.61 +/- 1.34   0.000% *  0.0179% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.80 +/- 0.59   0.000% *  0.0467% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.17 +/- 0.59   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 1.0, support = 4.44, residual support = 160.5:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.33 +/- 0.08  86.801% * 95.9883% (1.00   4.44 160.53) =  99.996%  kept
        T QD    LYS+  66 - QD    LYS+  65   6.06 +/- 0.83   0.445% *  0.3142% (0.73   0.02  26.46) =   0.002%
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.52 +/- 0.23   7.762% *  0.0116% (0.03   0.02 312.26) =   0.001%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.79 +/- 0.09   4.777% *  0.0188% (0.04   0.02 312.26) =   0.001%
          HG    LEU  104 - QD    LYS+ 102   7.40 +/- 0.50   0.095% *  0.0273% (0.06   0.02   0.24) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  65  11.66 +/- 0.67   0.006% *  0.3614% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.86 +/- 1.21   0.060% *  0.0176% (0.04   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  15.60 +/- 0.66   0.001% *  0.4288% (0.99   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38   9.76 +/- 0.77   0.018% *  0.0197% (0.05   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  13.35 +/- 1.42   0.003% *  0.1084% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  17.41 +/- 1.10   0.001% *  0.4288% (0.99   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  12.70 +/- 0.79   0.004% *  0.0668% (0.15   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  14.15 +/- 1.43   0.002% *  0.1062% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.04 +/- 0.71   0.002% *  0.0963% (0.22   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  14.08 +/- 1.29   0.002% *  0.0657% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  12.01 +/- 0.89   0.005% *  0.0243% (0.06   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  15.56 +/- 0.49   0.001% *  0.1079% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.95 +/- 0.97   0.001% *  0.0783% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  14.11 +/- 1.30   0.002% *  0.0273% (0.06   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  14.53 +/- 0.98   0.002% *  0.0267% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  17.70 +/- 1.52   0.001% *  0.0783% (0.18   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.22 +/- 0.54   0.000% *  0.1079% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  18.28 +/- 1.74   0.001% *  0.0574% (0.13   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  18.84 +/- 0.78   0.000% *  0.1084% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.30 +/- 2.24   0.000% *  0.0790% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  14.27 +/- 1.22   0.002% *  0.0165% (0.04   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  19.87 +/- 1.67   0.000% *  0.0660% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  19.31 +/- 0.43   0.000% *  0.0758% (0.18   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  19.55 +/- 0.66   0.000% *  0.0794% (0.18   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.91 +/- 1.00   0.000% *  0.0778% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.90 +/- 0.55   0.000% *  0.0913% (0.21   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  19.12 +/- 1.18   0.000% *  0.0481% (0.11   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  21.27 +/- 0.45   0.000% *  0.0895% (0.21   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  17.57 +/- 0.99   0.001% *  0.0197% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  23.28 +/- 0.55   0.000% *  0.1071% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  20.90 +/- 0.45   0.000% *  0.0554% (0.13   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.58 +/- 0.60   0.000% *  0.1094% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.39 +/- 0.65   0.000% *  0.0663% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  18.79 +/- 1.01   0.000% *  0.0192% (0.04   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  19.84 +/- 0.94   0.000% *  0.0267% (0.06   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.93 +/- 0.58   0.000% *  0.1062% (0.25   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  19.35 +/- 0.42   0.000% *  0.0165% (0.04   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.92 +/- 0.42   0.000% *  0.0657% (0.15   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.17 +/- 0.89   0.000% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  18.90 +/- 0.45   0.000% *  0.0102% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  22.16 +/- 0.94   0.000% *  0.0238% (0.06   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  22.28 +/- 0.83   0.000% *  0.0169% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  22.14 +/- 1.00   0.000% *  0.0148% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  22.49 +/- 1.59   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  24.58 +/- 0.98   0.000% *  0.0138% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 1 structures by 0.01 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 160.5:
    * O T QE    LYS+  65 - QD    LYS+  65   2.11 +/- 0.03  99.945% * 96.2682% (1.00   4.00 160.53) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  38   7.93 +/- 0.41   0.038% *  0.0533% (0.11   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  38  10.40 +/- 1.28   0.012% *  0.0789% (0.16   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  15.52 +/- 1.43   0.001% *  0.4317% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  12.31 +/- 1.12   0.003% *  0.0738% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  16.72 +/- 1.27   0.000% *  0.1091% (0.23   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.70 +/- 0.64   0.000% *  0.0849% (0.18   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  22.53 +/- 0.74   0.000% *  0.4645% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  18.46 +/- 1.19   0.000% *  0.1174% (0.24   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  21.49 +/- 0.67   0.000% *  0.2919% (0.61   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.20 +/- 1.97   0.000% *  0.0879% (0.18   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  21.76 +/- 1.14   0.000% *  0.1807% (0.38   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.53 +/- 1.01   0.000% *  0.1192% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.66 +/- 0.64   0.000% *  0.1217% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  21.68 +/- 1.09   0.000% *  0.0737% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  30.76 +/- 0.63   0.000% *  0.4443% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  25.03 +/- 1.75   0.000% *  0.1100% (0.23   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  26.08 +/- 1.55   0.000% *  0.1123% (0.23   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  22.97 +/- 0.56   0.000% *  0.0447% (0.09   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  25.70 +/- 1.85   0.000% *  0.0681% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  28.36 +/- 0.86   0.000% *  0.1150% (0.24   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.19 +/- 1.41   0.000% *  0.1069% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  22.88 +/- 0.70   0.000% *  0.0277% (0.06   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  28.25 +/- 1.40   0.000% *  0.0723% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.18 +/- 1.44   0.000% *  0.0661% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  28.73 +/- 0.70   0.000% *  0.0712% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  27.11 +/- 0.83   0.000% *  0.0457% (0.09   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  29.97 +/- 1.11   0.000% *  0.0812% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  28.67 +/- 1.29   0.000% *  0.0447% (0.09   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  28.62 +/- 1.36   0.000% *  0.0330% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.923, support = 4.75, residual support = 160.5:
    *   T HA    LYS+  65 - QE    LYS+  65   3.90 +/- 0.71  87.799% * 95.6283% (0.92   4.75 160.53) =  99.964%  kept
          HA2   GLY   16 - QE    LYS+  65   6.83 +/- 1.34   6.411% *  0.4211% (0.97   0.02   0.02) =   0.032%
        T HA    GLN   32 - QE    LYS+  33   7.21 +/- 0.91   5.249% *  0.0444% (0.10   0.02  14.34) =   0.003%
          HA2   GLY   16 - QE    LYS+  33  11.48 +/- 1.81   0.302% *  0.2165% (0.50   0.02   0.02) =   0.001%
          HA    ALA  120 - QE    LYS+  65  14.48 +/- 1.37   0.060% *  0.4128% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QE    LYS+  33  14.71 +/- 1.51   0.052% *  0.2071% (0.47   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  16.70 +/- 1.59   0.023% *  0.3335% (0.76   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  65  16.86 +/- 0.94   0.020% *  0.2470% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  18.73 +/- 0.70   0.010% *  0.2823% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  18.40 +/- 1.25   0.012% *  0.2124% (0.49   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  17.26 +/- 0.92   0.018% *  0.1088% (0.25   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.79 +/- 1.09   0.011% *  0.1488% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  19.93 +/- 1.18   0.007% *  0.1714% (0.39   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  20.06 +/- 1.19   0.007% *  0.1451% (0.33   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  23.17 +/- 1.42   0.003% *  0.2122% (0.49   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  26.11 +/- 1.08   0.001% *  0.4211% (0.97   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  22.06 +/- 1.40   0.004% *  0.1270% (0.29   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  24.63 +/- 0.93   0.002% *  0.2165% (0.50   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  21.38 +/- 1.17   0.004% *  0.0864% (0.20   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  23.22 +/- 1.24   0.003% *  0.0559% (0.13   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.32 +/- 1.39   0.001% *  0.1092% (0.25   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.37 +/- 1.46   0.001% *  0.0765% (0.18   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  28.72 +/- 0.95   0.001% *  0.0764% (0.18   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  28.90 +/- 1.21   0.001% *  0.0393% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 160.5:
    *   T QB    LYS+  65 - QE    LYS+  65   3.01 +/- 0.66  85.747% * 97.1289% (1.00   5.07 160.53) =  99.963%  kept
          HB3   GLN   17 - QE    LYS+  65   6.50 +/- 2.12   9.578% *  0.2323% (0.61   0.02   0.02) =   0.027%
          HB2   LEU   71 - QE    LYS+  33   6.21 +/- 1.42   3.606% *  0.1965% (0.51   0.02   0.02) =   0.009%
          QB    LYS+  66 - QE    LYS+  65   7.03 +/- 0.82   0.635% *  0.2169% (0.57   0.02  26.46) =   0.002%
          HB    VAL   41 - QE    LYS+  33   8.99 +/- 1.98   0.315% *  0.0739% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  11.55 +/- 1.59   0.060% *  0.1194% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  13.44 +/- 1.12   0.018% *  0.3822% (1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  15.13 +/- 1.32   0.009% *  0.1969% (0.51   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.20 +/- 1.22   0.007% *  0.1930% (0.50   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  17.77 +/- 1.25   0.003% *  0.3200% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.50 +/- 1.34   0.008% *  0.1115% (0.29   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  16.15 +/- 1.22   0.005% *  0.1438% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  20.71 +/- 0.77   0.001% *  0.3755% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.02 +/- 1.21   0.006% *  0.0491% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  20.82 +/- 0.95   0.001% *  0.0955% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  23.85 +/- 1.53   0.001% *  0.1645% (0.43   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 160.5:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.62 +/- 0.19  98.914% * 96.7426% (1.00   4.44 160.53) =  99.997%  kept
          QD    LYS+  66 - QE    LYS+  65   6.78 +/- 1.17   0.776% *  0.3166% (0.73   0.02  26.46) =   0.003%
          QG2   THR   26 - QE    LYS+  33   8.15 +/- 1.13   0.223% *  0.2222% (0.51   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  65  11.12 +/- 1.15   0.022% *  0.3642% (0.84   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  15.05 +/- 1.27   0.003% *  0.4322% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  13.29 +/- 1.45   0.008% *  0.1872% (0.43   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.10 +/- 1.29   0.021% *  0.0499% (0.11   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  12.21 +/- 1.31   0.013% *  0.0673% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  17.77 +/- 1.28   0.001% *  0.4322% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  14.13 +/- 1.21   0.005% *  0.0971% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  16.33 +/- 1.77   0.002% *  0.2242% (0.51   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  16.92 +/- 1.30   0.002% *  0.1628% (0.37   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  15.92 +/- 0.89   0.002% *  0.1087% (0.25   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  14.66 +/- 1.30   0.004% *  0.0559% (0.13   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  18.30 +/- 0.77   0.001% *  0.1087% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  21.46 +/- 2.37   0.000% *  0.2222% (0.51   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.53 +/- 1.42   0.002% *  0.0346% (0.08   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.35 +/- 0.97   0.001% *  0.0764% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  20.51 +/- 1.22   0.000% *  0.0559% (0.13   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  25.13 +/- 1.38   0.000% *  0.0393% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 160.5:
    * O T QD    LYS+  65 - QE    LYS+  65   2.11 +/- 0.03  99.955% * 95.8064% (1.00   4.00 160.53) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.72 +/- 1.04   0.026% *  0.1332% (0.28   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  33  10.40 +/- 1.28   0.012% *  0.2273% (0.47   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  12.56 +/- 1.32   0.003% *  0.2712% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  16.06 +/- 0.95   0.001% *  0.4780% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  14.30 +/- 1.23   0.001% *  0.1634% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  15.52 +/- 1.43   0.001% *  0.2463% (0.51   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.54 +/- 1.42   0.001% *  0.1394% (0.29   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  20.20 +/- 1.97   0.000% *  0.4422% (0.92   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  16.72 +/- 1.27   0.000% *  0.1394% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  17.48 +/- 1.15   0.000% *  0.1798% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  20.99 +/- 1.81   0.000% *  0.2457% (0.51   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  17.98 +/- 1.19   0.000% *  0.0685% (0.14   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  22.22 +/- 1.32   0.000% *  0.2441% (0.51   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  22.66 +/- 0.64   0.000% *  0.2712% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  26.11 +/- 1.18   0.000% *  0.4748% (0.99   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.53 +/- 1.01   0.000% *  0.1194% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  21.68 +/- 1.09   0.000% *  0.0739% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  23.11 +/- 1.49   0.000% *  0.0840% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.75 +/- 1.54   0.000% *  0.0924% (0.19   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.19 +/- 1.41   0.000% *  0.0614% (0.13   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.18 +/- 1.44   0.000% *  0.0380% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 1.0, support = 4.98, residual support = 111.8:
    * O T QB    LYS+  66 - HA    LYS+  66   2.42 +/- 0.07  95.666% * 97.8054% (1.00   4.98 111.86) =  99.990%  kept
          QB    LYS+  65 - HA    LYS+  66   4.09 +/- 0.19   4.239% *  0.2223% (0.57   0.02  26.46) =   0.010%
          HG    LEU  123 - HA    LYS+  66   8.38 +/- 1.16   0.090% *  0.2223% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.91 +/- 0.19   0.003% *  0.2066% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  16.03 +/- 0.37   0.001% *  0.3714% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  18.99 +/- 0.61   0.000% *  0.2697% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.04 +/- 0.65   0.000% *  0.3280% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  20.73 +/- 0.89   0.000% *  0.3521% (0.90   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  22.08 +/- 0.49   0.000% *  0.2223% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 1.0, support = 4.31, residual support = 111.8:
    * O T QG    LYS+  66 - HA    LYS+  66   2.52 +/- 0.31  97.742% * 96.9006% (1.00   4.31 111.86) =  99.994%  kept
        T HG    LEU   67 - HA    LYS+  66   5.48 +/- 0.87   1.562% *  0.1686% (0.38   0.02  10.27) =   0.003%
          HB3   LEU   67 - HA    LYS+  66   6.30 +/- 0.31   0.577% *  0.4250% (0.95   0.02  10.27) =   0.003%
          QB    ALA   61 - HA    LYS+  66   8.23 +/- 0.14   0.101% *  0.3753% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  12.37 +/- 0.54   0.008% *  0.2187% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.33 +/- 0.55   0.004% *  0.2187% (0.49   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  14.87 +/- 0.39   0.003% *  0.2364% (0.53   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  17.27 +/- 0.45   0.001% *  0.4250% (0.95   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  16.86 +/- 0.33   0.001% *  0.2725% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  22.80 +/- 0.83   0.000% *  0.3897% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  29.14 +/- 1.12   0.000% *  0.2907% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  29.76 +/- 0.57   0.000% *  0.0787% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 111.8:
    *   T QD    LYS+  66 - HA    LYS+  66   2.44 +/- 0.35  97.678% * 97.7274% (1.00   4.31 111.86) =  99.992%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.35 +/- 0.94   2.304% *  0.3290% (0.73   0.02  26.46) =   0.008%
          HB3   LYS+ 121 - HA    LYS+  66  12.29 +/- 0.58   0.009% *  0.3113% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  66  14.35 +/- 1.44   0.004% *  0.3628% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  15.73 +/- 0.46   0.002% *  0.3113% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  15.29 +/- 0.34   0.002% *  0.1701% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  16.85 +/- 0.62   0.001% *  0.2384% (0.53   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  19.10 +/- 0.33   0.001% *  0.2931% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  19.93 +/- 0.52   0.000% *  0.2565% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.79, residual support = 111.9:
    *   T QE    LYS+  66 - HA    LYS+  66   4.15 +/- 0.22  99.279% * 99.2671% (1.00   3.79 111.86) =  99.999%  kept
          HB2   ASN   69 - HA    LYS+  66   9.61 +/- 0.52   0.714% *  0.1617% (0.31   0.02   0.02) =   0.001%
          HB3   ASN   35 - HA    LYS+  66  22.74 +/- 0.56   0.004% *  0.4545% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  23.88 +/- 0.70   0.003% *  0.1166% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 111.9:
    * O T HA    LYS+  66 - QB    LYS+  66   2.42 +/- 0.07  99.930% * 99.7948% (1.00   4.98 111.86) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   8.22 +/- 0.43   0.069% *  0.0542% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.57 +/- 0.59   0.000% *  0.0892% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  26.91 +/- 0.73   0.000% *  0.0618% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 1.0, support = 4.31, residual support = 111.8:
    * O T QG    LYS+  66 - QB    LYS+  66   2.06 +/- 0.01  93.664% * 96.8967% (1.00   4.31 111.86) =  99.987%  kept
        T HG    LEU   67 - QB    LYS+  66   3.89 +/- 1.05   5.855% *  0.1688% (0.38   0.02  10.27) =   0.011%
          HB3   LEU   67 - QB    LYS+  66   5.25 +/- 0.40   0.400% *  0.4256% (0.95   0.02  10.27) =   0.002%
          QB    ALA   61 - QB    LYS+  66   6.90 +/- 0.15   0.066% *  0.3758% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66   9.96 +/- 0.51   0.008% *  0.2190% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  10.57 +/- 0.51   0.005% *  0.2190% (0.49   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  13.46 +/- 0.33   0.001% *  0.2729% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  14.90 +/- 0.59   0.001% *  0.4256% (0.95   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  13.71 +/- 0.37   0.001% *  0.2367% (0.53   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  19.06 +/- 0.85   0.000% *  0.3902% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  25.01 +/- 1.09   0.000% *  0.2910% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  25.48 +/- 0.61   0.000% *  0.0788% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 1.0, support = 4.31, residual support = 111.9:
    * O T QD    LYS+  66 - QB    LYS+  66   2.25 +/- 0.16  99.660% * 97.7245% (1.00   4.31 111.86) =  99.999%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.32 +/- 0.65   0.288% *  0.3295% (0.73   0.02  26.46) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66   8.79 +/- 0.52   0.030% *  0.3117% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QB    LYS+  66  10.67 +/- 1.20   0.012% *  0.3633% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  12.67 +/- 0.52   0.003% *  0.3117% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  13.10 +/- 0.38   0.003% *  0.1703% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  14.19 +/- 0.60   0.002% *  0.2387% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.54 +/- 0.50   0.001% *  0.2569% (0.57   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  17.08 +/- 0.38   0.001% *  0.2935% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 3.75, residual support = 111.9:
    *   T QE    LYS+  66 - QB    LYS+  66   3.17 +/- 0.55  99.785% * 99.2592% (1.00   3.75 111.86) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.43 +/- 0.41   0.210% *  0.1635% (0.31   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  19.95 +/- 0.54   0.002% *  0.4594% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  20.53 +/- 0.62   0.002% *  0.1179% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 111.9:
    * O T HA    LYS+  66 - QG    LYS+  66   2.52 +/- 0.31  98.233% * 99.7093% (1.00   4.31 111.86) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   5.48 +/- 0.87   1.571% *  0.0356% (0.08   0.02  10.27) =   0.001%
          HA1   GLY   16 - QG    LYS+  66   8.85 +/- 0.59   0.075% *  0.0626% (0.14   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67   8.17 +/- 0.63   0.120% *  0.0048% (0.01   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  21.98 +/- 0.80   0.000% *  0.1029% (0.22   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.97 +/- 0.95   0.001% *  0.0079% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  27.54 +/- 1.00   0.000% *  0.0713% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  29.05 +/- 0.87   0.000% *  0.0055% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 1.0, support = 4.31, residual support = 111.8:
    * O T QB    LYS+  66 - QG    LYS+  66   2.06 +/- 0.01  89.358% * 97.2473% (1.00   4.31 111.86) =  99.983%  kept
          QB    LYS+  65 - QG    LYS+  66   3.89 +/- 0.90   3.844% *  0.2556% (0.57   0.02  26.46) =   0.011%
          HG    LEU  123 - QG    LYS+  66   5.36 +/- 1.10   1.133% *  0.2556% (0.57   0.02   0.02) =   0.003%
        T QB    LYS+  66 - HG    LEU   67   3.89 +/- 1.05   5.576% *  0.0348% (0.08   0.02  10.27) =   0.002%
          QB    LYS+  65 - HG    LEU   67   7.32 +/- 0.97   0.059% *  0.0197% (0.04   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67   9.10 +/- 1.07   0.016% *  0.0197% (0.04   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  14.98 +/- 0.60   0.001% *  0.4271% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.61 +/- 0.52   0.001% *  0.2375% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  16.99 +/- 1.05   0.000% *  0.4049% (0.90   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  11.45 +/- 0.72   0.003% *  0.0329% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67  10.40 +/- 0.49   0.006% *  0.0183% (0.04   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  16.98 +/- 1.00   0.000% *  0.3101% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  17.65 +/- 0.88   0.000% *  0.3771% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  18.00 +/- 0.95   0.000% *  0.2556% (0.57   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  14.26 +/- 1.11   0.001% *  0.0239% (0.05   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  14.88 +/- 0.87   0.001% *  0.0290% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  19.00 +/- 1.02   0.000% *  0.0312% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  21.45 +/- 1.27   0.000% *  0.0197% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 1.0, support = 4.0, residual support = 111.9:
    * O T QD    LYS+  66 - QG    LYS+  66   2.10 +/- 0.03  98.490% * 97.3339% (1.00   4.00 111.86) =  99.995%  kept
          HG2   LYS+  65 - QG    LYS+  66   6.02 +/- 1.28   1.179% *  0.3534% (0.73   0.02  26.46) =   0.004%
        T QD    LYS+  66 - HG    LEU   67   6.03 +/- 0.87   0.251% *  0.0375% (0.08   0.02  10.27) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66   9.57 +/- 0.85   0.014% *  0.3343% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QG    LYS+  66  11.48 +/- 1.23   0.005% *  0.3897% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   9.18 +/- 1.08   0.019% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67   9.04 +/- 0.68   0.017% *  0.0257% (0.05   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  14.13 +/- 0.82   0.001% *  0.3343% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  10.84 +/- 1.74   0.011% *  0.0300% (0.06   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  13.83 +/- 0.68   0.001% *  0.1827% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  14.73 +/- 0.87   0.001% *  0.2560% (0.53   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  10.43 +/- 1.08   0.008% *  0.0257% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  15.90 +/- 0.61   0.001% *  0.2755% (0.57   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  17.84 +/- 0.48   0.000% *  0.3148% (0.65   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  13.79 +/- 0.60   0.001% *  0.0141% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  15.66 +/- 0.97   0.001% *  0.0197% (0.04   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  17.26 +/- 0.44   0.000% *  0.0242% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  17.54 +/- 0.73   0.000% *  0.0212% (0.04   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 = 1.0, support = 3.44, residual support = 111.9:
    * O T QE    LYS+  66 - QG    LYS+  66   2.14 +/- 0.12  99.742% * 99.0874% (1.00   3.44 111.86) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   6.87 +/- 1.07   0.191% *  0.0444% (0.08   0.02  10.27) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  10.56 +/- 0.83   0.008% *  0.1779% (0.31   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.80 +/- 0.95   0.059% *  0.0137% (0.02   0.02   3.01) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  21.37 +/- 0.73   0.000% *  0.4999% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  21.13 +/- 0.97   0.000% *  0.1283% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.29 +/- 0.88   0.000% *  0.0385% (0.07   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  22.13 +/- 0.62   0.000% *  0.0099% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 4.31, residual support = 111.9:
    *   T HA    LYS+  66 - QD    LYS+  66   2.44 +/- 0.35  99.947% * 99.6763% (1.00   4.31 111.86) = 100.000%  kept
          HA1   GLY   16 - QD    LYS+  66   9.09 +/- 0.54   0.047% *  0.0625% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HD2   LYS+ 121  14.35 +/- 1.44   0.004% *  0.0575% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.43 +/- 0.76   0.000% *  0.1029% (0.22   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  18.67 +/- 1.83   0.001% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  28.74 +/- 1.07   0.000% *  0.0713% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  23.74 +/- 1.83   0.000% *  0.0128% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  30.53 +/- 1.42   0.000% *  0.0089% (0.02   0.02   0.02) =   0.000%
    Distance limit 5.03 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 = 1.0, support = 4.31, residual support = 111.8:
    * O T QB    LYS+  66 - QD    LYS+  66   2.25 +/- 0.16  94.822% * 97.1104% (1.00   4.31 111.86) =  99.986%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.39 +/- 0.78   4.378% *  0.2553% (0.57   0.02  26.46) =   0.012%
          HG    LEU  123 - QD    LYS+  66   5.78 +/- 1.18   0.753% *  0.2553% (0.57   0.02   0.02) =   0.002%
        T QB    LYS+  66 - HD2   LYS+ 121  10.67 +/- 1.20   0.011% *  0.0561% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   9.55 +/- 0.76   0.020% *  0.0317% (0.07   0.02   2.19) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  14.30 +/- 0.48   0.002% *  0.2372% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.81 +/- 0.58   0.001% *  0.4265% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  11.87 +/- 1.00   0.006% *  0.0385% (0.09   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  12.80 +/- 0.74   0.003% *  0.0468% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  18.24 +/- 1.10   0.000% *  0.4043% (0.90   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  17.57 +/- 0.75   0.000% *  0.3097% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.61 +/- 0.89   0.000% *  0.3766% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  19.15 +/- 1.11   0.000% *  0.2553% (0.57   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  15.70 +/- 1.78   0.001% *  0.0530% (0.12   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  15.00 +/- 1.08   0.001% *  0.0317% (0.07   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.66 +/- 1.04   0.000% *  0.0503% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  17.73 +/- 1.49   0.000% *  0.0295% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  20.54 +/- 1.20   0.000% *  0.0317% (0.07   0.02   0.02) =   0.000%
    Distance limit 5.44 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 = 1.0, support = 4.0, residual support = 111.9:
    * O T QG    LYS+  66 - QD    LYS+  66   2.10 +/- 0.03  99.547% * 96.2092% (1.00   4.00 111.86) =  99.999%  kept
        T HG    LEU   67 - QD    LYS+  66   6.03 +/- 0.87   0.255% *  0.1805% (0.38   0.02  10.27) =   0.000%
          HB3   LEU   67 - QD    LYS+  66   7.28 +/- 0.59   0.071% *  0.4551% (0.95   0.02  10.27) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.47 +/- 0.91   0.076% *  0.4018% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.04 +/- 1.03   0.004% *  0.2342% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.10 +/- 0.74   0.003% *  0.2342% (0.49   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  10.62 +/- 1.67   0.011% *  0.0291% (0.06   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  11.48 +/- 1.23   0.005% *  0.0598% (0.12   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  14.61 +/- 0.88   0.001% *  0.2918% (0.61   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.12 +/- 1.04   0.010% *  0.0291% (0.06   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  10.84 +/- 1.74   0.011% *  0.0225% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  12.43 +/- 1.62   0.004% *  0.0566% (0.12   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  15.21 +/- 0.47   0.001% *  0.2531% (0.53   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  17.01 +/- 0.63   0.000% *  0.4551% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  15.22 +/- 1.61   0.001% *  0.0519% (0.11   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  14.72 +/- 0.61   0.001% *  0.0500% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.14 +/- 0.90   0.000% *  0.4173% (0.87   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  14.22 +/- 0.90   0.001% *  0.0363% (0.08   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  19.65 +/- 1.67   0.000% *  0.0566% (0.12   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  27.08 +/- 1.25   0.000% *  0.3112% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  22.21 +/- 1.44   0.000% *  0.0315% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  27.50 +/- 1.06   0.000% *  0.0842% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  28.14 +/- 1.64   0.000% *  0.0387% (0.08   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  28.48 +/- 1.52   0.000% *  0.0105% (0.02   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 = 3.34, residual support = 111.9:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.987% * 98.9931% (1.00   3.34 111.86) = 100.000%  kept
          HB2   ASN   69 - QD    LYS+  66  10.42 +/- 0.94   0.008% *  0.1831% (0.31   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HD2   LYS+ 121  11.73 +/- 1.10   0.004% *  0.0738% (0.12   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  22.00 +/- 0.65   0.000% *  0.5147% (0.87   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  16.86 +/- 2.28   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  22.26 +/- 0.92   0.000% *  0.1321% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  22.30 +/- 1.64   0.000% *  0.0640% (0.11   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  25.90 +/- 0.58   0.000% *  0.0164% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 3.79, residual support = 111.9:
    *   T HA    LYS+  66 - QE    LYS+  66   4.15 +/- 0.22  98.168% * 99.5656% (1.00   3.79 111.86) =  99.999%  kept
          HA    LYS+  81 - HB2   ASP-  76   8.56 +/- 0.47   1.469% *  0.0169% (0.03   0.02   0.02) =   0.000%
          HA1   GLY   16 - QE    LYS+  66  10.74 +/- 0.69   0.347% *  0.0711% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  23.56 +/- 1.03   0.003% *  0.1170% (0.22   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  23.88 +/- 0.70   0.003% *  0.1093% (0.21   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.85 +/- 0.63   0.006% *  0.0148% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  29.17 +/- 0.87   0.001% *  0.0811% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.36 +/- 0.45   0.002% *  0.0243% (0.05   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 = 0.969, support = 3.81, residual support = 105.9:
    *   T QB    LYS+  66 - QE    LYS+  66   3.17 +/- 0.55  73.417% * 57.3257% (1.00   3.75 111.86) =  92.991%  kept
          QB    LYS+  65 - QE    LYS+  66   5.49 +/- 0.76   7.710% * 40.7188% (0.57   4.70  26.46) =   6.937%  kept
          HG    LEU  123 - QE    LYS+  66   4.67 +/- 1.23  18.814% *  0.1732% (0.57   0.02   0.02) =   0.072%
          HB    VAL   41 - QE    LYS+  66  16.68 +/- 0.74   0.005% *  0.2893% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  66  15.50 +/- 0.64   0.008% *  0.1609% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  13.72 +/- 0.70   0.016% *  0.0570% (0.19   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  17.98 +/- 0.77   0.003% *  0.2743% (0.90   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  17.84 +/- 1.28   0.003% *  0.2101% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  18.91 +/- 0.91   0.002% *  0.2555% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  18.76 +/- 0.93   0.002% *  0.1732% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.85 +/- 0.71   0.007% *  0.0360% (0.12   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  17.56 +/- 0.47   0.004% *  0.0602% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.50 +/- 0.65   0.004% *  0.0335% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.67 +/- 0.73   0.002% *  0.0360% (0.12   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  20.53 +/- 0.62   0.001% *  0.0636% (0.21   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  20.28 +/- 0.64   0.001% *  0.0531% (0.17   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  23.44 +/- 0.40   0.001% *  0.0437% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.93 +/- 0.73   0.000% *  0.0360% (0.12   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 1.0, support = 3.44, residual support = 111.9:
    * O T QG    LYS+  66 - QE    LYS+  66   2.14 +/- 0.12  99.630% * 95.2677% (1.00   3.44 111.86) =  99.999%  kept
        T HG    LEU   67 - QE    LYS+  66   6.87 +/- 1.07   0.190% *  0.2080% (0.38   0.02  10.27) =   0.000%
          QB    ALA   61 - QE    LYS+  66   7.79 +/- 0.88   0.058% *  0.4628% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   8.43 +/- 0.87   0.046% *  0.5242% (0.95   0.02  10.27) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   8.70 +/- 0.53   0.027% *  0.0745% (0.13   0.02   0.64) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  11.46 +/- 0.72   0.005% *  0.2697% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  12.74 +/- 1.10   0.003% *  0.2697% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   8.37 +/- 0.30   0.030% *  0.0202% (0.04   0.02   0.64) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.03 +/- 1.09   0.004% *  0.1090% (0.20   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  14.25 +/- 0.65   0.001% *  0.3361% (0.61   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  13.74 +/- 0.65   0.002% *  0.0962% (0.17   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  18.04 +/- 0.51   0.000% *  0.5242% (0.95   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  16.58 +/- 0.50   0.001% *  0.2915% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  13.17 +/- 0.37   0.002% *  0.0699% (0.13   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.49 +/- 0.64   0.001% *  0.0606% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  21.51 +/- 1.53   0.000% *  0.4807% (0.87   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  21.13 +/- 0.97   0.000% *  0.1152% (0.21   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  21.21 +/- 0.85   0.000% *  0.1090% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  19.29 +/- 0.41   0.000% *  0.0561% (0.10   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  27.71 +/- 1.20   0.000% *  0.3585% (0.65   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  21.40 +/- 1.25   0.000% *  0.0561% (0.10   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  22.13 +/- 0.62   0.000% *  0.0432% (0.08   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  27.20 +/- 0.64   0.000% *  0.0999% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  28.04 +/- 0.76   0.000% *  0.0970% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 1.0, support = 3.34, residual support = 111.9:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  99.805% * 96.3803% (1.00   3.34 111.86) =  99.999%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.83 +/- 1.26   0.088% *  0.4195% (0.73   0.02  26.46) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66   9.89 +/- 1.09   0.012% *  0.3968% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.38 +/- 0.68   0.061% *  0.0632% (0.11   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QE    LYS+  66  11.73 +/- 1.10   0.004% *  0.4626% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   8.89 +/- 0.51   0.018% *  0.0451% (0.08   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   9.79 +/- 0.35   0.010% *  0.0777% (0.13   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  15.19 +/- 1.15   0.001% *  0.3968% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.48 +/- 0.68   0.000% *  0.3271% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  16.44 +/- 0.89   0.000% *  0.3039% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  15.73 +/- 0.56   0.001% *  0.2168% (0.38   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  19.53 +/- 0.46   0.000% *  0.3737% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  19.32 +/- 1.38   0.000% *  0.0872% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  19.92 +/- 0.39   0.000% *  0.0680% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  22.26 +/- 0.92   0.000% *  0.1201% (0.21   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  23.35 +/- 0.73   0.000% *  0.0825% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  24.85 +/- 0.46   0.000% *  0.0825% (0.14   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  25.90 +/- 0.58   0.000% *  0.0962% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.3:
    * O T HB2   PRO   68 - HA    PRO   68   2.67 +/- 0.15  99.996% * 96.6727% (0.84   2.00  36.26) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  15.79 +/- 0.45   0.002% *  1.0380% (0.90   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  16.79 +/- 0.65   0.002% *  1.1345% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  23.15 +/- 0.56   0.000% *  1.1548% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.20 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 = 36.3:
    * O T HA    PRO   68 - HB2   PRO   68   2.67 +/- 0.15 100.000% * 99.1920% (0.84   2.00  36.26) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  23.15 +/- 0.56   0.000% *  0.8080% (0.68   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.8:
    * O T HB2   ASN   69 - HA    ASN   69   2.50 +/- 0.15  99.923% * 98.7776% (1.00   3.31  59.76) = 100.000%  kept
          QE    LYS+  33 - HA    ASN   69   9.49 +/- 1.55   0.068% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  66 - HA    ASN   69  12.13 +/- 0.86   0.009% *  0.1841% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.69 +/- 0.57   0.000% *  0.5846% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.96 +/- 0.68   0.000% *  0.3617% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.8:
    * O T HB3   ASN   69 - HA    ASN   69   2.54 +/- 0.17  99.972% * 98.4955% (1.00   3.00  59.76) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69  10.41 +/- 0.82   0.024% *  0.4768% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  14.85 +/- 1.35   0.003% *  0.5018% (0.76   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  22.63 +/- 0.95   0.000% *  0.5258% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.8:
    * O T HA    ASN   69 - HB2   ASN   69   2.50 +/- 0.15  99.998% * 98.8794% (1.00   3.31  59.76) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.80 +/- 0.50   0.002% *  0.5354% (0.90   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  23.58 +/- 0.34   0.000% *  0.5852% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.8:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.999% * 98.8585% (1.00   3.97  59.76) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  12.01 +/- 0.77   0.001% *  0.3618% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  16.32 +/- 1.48   0.000% *  0.3808% (0.76   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  23.89 +/- 0.93   0.000% *  0.3990% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.8:
    * O T HA    ASN   69 - HB3   ASN   69   2.54 +/- 0.17  99.998% * 98.7641% (1.00   3.00  59.76) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  15.59 +/- 0.59   0.002% *  0.5905% (0.90   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  23.46 +/- 0.39   0.000% *  0.6454% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.8:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.996% * 98.9775% (1.00   3.97  59.76) = 100.000%  kept
          QE    LYS+  33 - HB3   ASN   69  10.78 +/- 1.68   0.003% *  0.0770% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   ASN   69  11.94 +/- 1.12   0.001% *  0.1540% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  25.36 +/- 0.57   0.000% *  0.4890% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  29.56 +/- 0.77   0.000% *  0.3026% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 81.5:
    * O T HB    VAL   70 - HA    VAL   70   2.98 +/- 0.14  92.756% * 97.0163% (1.00   4.31  81.48) =  99.997%  kept
          HB3   ASP-  76 - HA    SER   48   5.16 +/- 0.96   6.452% *  0.0256% (0.06   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HA    VAL   70   9.36 +/- 1.29   0.561% *  0.0890% (0.20   0.02   0.02) =   0.001%
        T QG    GLN   17 - HA    VAL   70   9.54 +/- 0.75   0.099% *  0.4459% (0.99   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70  10.27 +/- 0.73   0.066% *  0.1388% (0.31   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  12.50 +/- 0.31   0.018% *  0.3438% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  13.18 +/- 0.87   0.014% *  0.2062% (0.46   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  12.56 +/- 1.23   0.022% *  0.0544% (0.12   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  16.73 +/- 1.19   0.003% *  0.1016% (0.23   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.99 +/- 0.38   0.001% *  0.4255% (0.95   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  17.15 +/- 0.27   0.003% *  0.0783% (0.17   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  18.06 +/- 0.76   0.002% *  0.0969% (0.22   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  20.79 +/- 1.20   0.001% *  0.1666% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  21.20 +/- 0.68   0.001% *  0.1122% (0.25   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  21.59 +/- 0.75   0.001% *  0.1025% (0.23   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  25.73 +/- 1.67   0.000% *  0.2161% (0.48   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  29.47 +/- 0.84   0.000% *  0.2180% (0.48   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  32.08 +/- 1.65   0.000% *  0.0673% (0.15   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.02 +/- 1.04   0.000% *  0.0316% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  32.33 +/- 1.20   0.000% *  0.0431% (0.10   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  30.02 +/- 1.38   0.000% *  0.0203% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 1.0, support = 4.92, residual support = 81.5:
    * O T QG1   VAL   70 - HA    VAL   70   2.52 +/- 0.24  94.950% * 97.0215% (1.00   4.93  81.48) =  99.980%  kept
          QD1   LEU   71 - HA    VAL   70   5.49 +/- 0.88   4.883% *  0.3637% (0.92   0.02  31.44) =   0.019%
        T QG1   VAL   18 - HA    VAL   70   9.28 +/- 1.12   0.060% *  0.3862% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   70   9.17 +/- 0.51   0.048% *  0.2230% (0.57   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  10.54 +/- 0.39   0.019% *  0.2389% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  11.44 +/- 0.64   0.012% *  0.3637% (0.92   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  10.40 +/- 1.07   0.023% *  0.0880% (0.22   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  19.15 +/- 0.89   0.001% *  0.1871% (0.47   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  16.94 +/- 1.48   0.001% *  0.0829% (0.21   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  20.96 +/- 1.59   0.000% *  0.1762% (0.45   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  19.47 +/- 0.88   0.001% *  0.0898% (0.23   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  18.72 +/- 0.57   0.001% *  0.0508% (0.13   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  20.74 +/- 0.67   0.000% *  0.0829% (0.21   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  25.65 +/- 0.67   0.000% *  0.1909% (0.48   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  29.70 +/- 0.55   0.000% *  0.1762% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  28.63 +/- 0.67   0.000% *  0.1081% (0.27   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  25.88 +/- 0.38   0.000% *  0.0544% (0.14   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  30.80 +/- 1.17   0.000% *  0.1158% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.5:
    * O T QG2   VAL   70 - HA    VAL   70   2.31 +/- 0.09  99.999% * 99.6451% (0.80   4.00  81.48) = 100.000%  kept
        T QG2   VAL   70 - HA    SER   48  17.72 +/- 0.51   0.001% *  0.1135% (0.18   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HB2   SER   82  23.34 +/- 0.69   0.000% *  0.2414% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 1.0, support = 4.31, residual support = 81.5:
    * O T HA    VAL   70 - HB    VAL   70   2.98 +/- 0.14  85.483% * 97.3361% (1.00   4.31  81.48) =  99.992%  kept
          HA    VAL   18 - QG    GLN   17   5.29 +/- 0.68   4.189% *  0.0576% (0.13   0.02  50.94) =   0.003%
          HA1   GLY   16 - HB    VAL   70   6.33 +/- 0.95   1.653% *  0.0893% (0.20   0.02   0.02) =   0.002%
          HA1   GLY   16 - QG    GLN   17   4.51 +/- 0.44   8.138% *  0.0166% (0.04   0.02  18.22) =   0.002%
          HA    VAL   18 - HB    VAL   70   7.61 +/- 0.60   0.361% *  0.3100% (0.69   0.02   0.02) =   0.001%
          HB2   SER   37 - HB    VAL   70  10.95 +/- 0.90   0.038% *  0.2197% (0.49   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17   9.54 +/- 0.75   0.091% *  0.0838% (0.19   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  13.42 +/- 0.34   0.010% *  0.3915% (0.87   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  16.49 +/- 0.36   0.003% *  0.4513% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.33 +/- 0.31   0.002% *  0.3277% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  13.92 +/- 1.15   0.009% *  0.0727% (0.16   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  13.56 +/- 1.21   0.012% *  0.0408% (0.09   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  15.62 +/- 1.15   0.005% *  0.0609% (0.13   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  19.49 +/- 0.58   0.001% *  0.0838% (0.19   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  21.59 +/- 0.75   0.001% *  0.1125% (0.25   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  16.73 +/- 1.19   0.003% *  0.0209% (0.05   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  29.47 +/- 0.84   0.000% *  0.2737% (0.61   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  25.73 +/- 1.67   0.000% *  0.0508% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 1.0, support = 5.36, residual support = 81.5:
    * O T QG1   VAL   70 - HB    VAL   70   2.14 +/- 0.00  99.122% * 98.1941% (1.00   5.36  81.48) =  99.999%  kept
          QD1   LEU   71 - HB    VAL   70   6.80 +/- 0.60   0.127% *  0.3383% (0.92   0.02  31.44) =   0.000%
          HB3   LEU   63 - HB    VAL   70   6.40 +/- 0.49   0.153% *  0.2075% (0.57   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.75 +/- 0.55   0.346% *  0.0667% (0.18   0.02  50.94) =   0.000%
          QG1   VAL   18 - HB    VAL   70   8.12 +/- 1.32   0.059% *  0.3592% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   7.05 +/- 1.14   0.133% *  0.0628% (0.17   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   70   9.30 +/- 0.60   0.016% *  0.3383% (0.92   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  10.12 +/- 0.40   0.009% *  0.2223% (0.61   0.02   0.02) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   8.66 +/- 0.76   0.028% *  0.0681% (0.19   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  11.14 +/- 0.52   0.005% *  0.0385% (0.11   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  12.88 +/- 0.76   0.002% *  0.0628% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  17.76 +/- 0.63   0.000% *  0.0413% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 81.5:
    * O T QG2   VAL   70 - HB    VAL   70   2.13 +/- 0.01  99.974% * 99.9139% (0.80   4.31  81.48) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   8.55 +/- 0.51   0.026% *  0.0861% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 1.0, support = 4.93, residual support = 81.5:
    * O T HA    VAL   70 - QG1   VAL   70   2.52 +/- 0.24  98.164% * 98.0800% (1.00   4.93  81.48) =  99.997%  kept
        T HA    VAL   18 - QG1   VAL   70   7.97 +/- 1.01   0.573% *  0.2736% (0.69   0.02   0.02) =   0.002%
          HA1   GLY   16 - QG1   VAL   70   6.18 +/- 0.90   1.172% *  0.0788% (0.20   0.02   0.02) =   0.001%
          HB2   SER   37 - QG1   VAL   70   8.71 +/- 0.77   0.071% *  0.1939% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  11.35 +/- 0.37   0.014% *  0.3455% (0.87   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  13.87 +/- 0.34   0.004% *  0.3983% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.13 +/- 0.36   0.003% *  0.2892% (0.73   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  19.47 +/- 0.88   0.001% *  0.0993% (0.25   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  25.65 +/- 0.67   0.000% *  0.2416% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.36, residual support = 81.5:
    * O T HB    VAL   70 - QG1   VAL   70   2.14 +/- 0.00  99.911% * 98.7261% (1.00   5.36  81.48) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   8.66 +/- 0.76   0.028% *  0.3652% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70   8.98 +/- 1.04   0.033% *  0.0729% (0.20   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   9.09 +/- 0.82   0.019% *  0.1137% (0.31   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.38 +/- 0.35   0.008% *  0.2816% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  19.34 +/- 0.51   0.000% *  0.3485% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  18.34 +/- 0.85   0.000% *  0.0919% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 4.93, residual support = 81.5:
    * O T QG2   VAL   70 - QG1   VAL   70   2.09 +/- 0.01 100.000% *100.0000% (0.80   4.93  81.48) = 100.000%  kept
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 63.87 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.5:
    * O T HA    VAL   70 - QG2   VAL   70   2.31 +/- 0.09  99.522% * 97.6462% (0.80   4.00  81.48) =  99.999%  kept
          HA    VAL   18 - QG2   VAL   70   6.67 +/- 0.36   0.188% *  0.3354% (0.55   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG2   VAL   70   6.92 +/- 0.84   0.218% *  0.0966% (0.16   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   8.36 +/- 0.69   0.052% *  0.2376% (0.39   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  10.14 +/- 0.25   0.015% *  0.4235% (0.69   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  13.88 +/- 0.28   0.002% *  0.4882% (0.80   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.25 +/- 0.23   0.003% *  0.3545% (0.58   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  17.72 +/- 0.51   0.001% *  0.1217% (0.20   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  23.34 +/- 0.69   0.000% *  0.2961% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.5:
    * O T HB    VAL   70 - QG2   VAL   70   2.13 +/- 0.01  99.874% * 98.4222% (0.80   4.31  81.48) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   8.55 +/- 0.51   0.026% *  0.4523% (0.79   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.30 +/- 0.25   0.029% *  0.3488% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70   8.77 +/- 0.92   0.047% *  0.0903% (0.16   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   8.77 +/- 0.65   0.023% *  0.1409% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  17.17 +/- 0.34   0.000% *  0.4317% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  16.29 +/- 0.66   0.001% *  0.1138% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 81.5:
    * O T QG1   VAL   70 - QG2   VAL   70   2.09 +/- 0.01  98.894% * 98.4021% (0.80   4.93  81.48) =  99.996%  kept
          QD1   LEU   71 - QG2   VAL   70   5.13 +/- 0.48   0.594% *  0.3688% (0.74   0.02  31.44) =   0.002%
          HB3   LEU   63 - QG2   VAL   70   5.64 +/- 0.48   0.294% *  0.2262% (0.45   0.02   0.02) =   0.001%
          QG1   VAL   18 - QG2   VAL   70   6.88 +/- 1.03   0.123% *  0.3917% (0.78   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   7.07 +/- 0.34   0.070% *  0.2423% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   8.43 +/- 0.49   0.025% *  0.3688% (0.74   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 63.87 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.64)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 126.7:
    * O T HB2   LEU   71 - HA    LEU   71   2.99 +/- 0.02  98.588% * 98.3317% (1.00   5.31 126.71) =  99.997%  kept
          HB3   GLN   17 - HA    LEU   71   7.87 +/- 1.10   0.448% *  0.2398% (0.65   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU   71   7.08 +/- 1.10   0.830% *  0.1264% (0.34   0.02   2.75) =   0.001%
          QB    LYS+  65 - HA    LEU   71  10.20 +/- 0.45   0.064% *  0.3699% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.43 +/- 0.31   0.055% *  0.1950% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  15.08 +/- 0.60   0.006% *  0.3578% (0.97   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.59 +/- 0.60   0.007% *  0.0825% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  20.09 +/- 0.81   0.001% *  0.2968% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 126.7:
    * O T HB3   LEU   71 - HA    LEU   71   2.63 +/- 0.05  99.995% * 98.5254% (1.00   4.31 126.71) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  13.91 +/- 0.29   0.005% *  0.3317% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  23.14 +/- 0.75   0.000% *  0.4528% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  23.34 +/- 0.66   0.000% *  0.3138% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.35 +/- 0.47   0.000% *  0.2048% (0.45   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  25.57 +/- 0.94   0.000% *  0.1715% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 4.06, residual support = 118.1:
    *   T QD1   LEU   71 - HA    LEU   71   3.32 +/- 0.43  88.706% * 47.3514% (1.00   3.99 126.71) =  91.003%  kept
          QG1   VAL   70 - HA    LEU   71   5.43 +/- 0.55   7.984% * 51.9336% (0.92   4.74  31.44) =   8.983%  kept
          QG1   VAL   18 - HA    LEU   71   6.43 +/- 0.92   3.074% *  0.1983% (0.84   0.02   0.02) =   0.013%
          HB3   LEU   63 - HA    LEU   71   9.65 +/- 0.58   0.185% *  0.0810% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   71  13.09 +/- 0.62   0.029% *  0.2374% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  13.51 +/- 0.41   0.023% *  0.1983% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 1.0, support = 5.0, residual support = 126.7:
    *   T QD2   LEU   71 - HA    LEU   71   1.93 +/- 0.04  99.896% * 98.4406% (1.00   5.00 126.71) = 100.000%  kept
          QD1   LEU   67 - HA    LEU   71   6.92 +/- 0.22   0.048% *  0.1765% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LEU   71   6.97 +/- 0.55   0.052% *  0.1619% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  11.62 +/- 0.51   0.002% *  0.2705% (0.69   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.49 +/- 0.71   0.001% *  0.3860% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.34 +/- 0.32   0.001% *  0.2229% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LEU   71  14.45 +/- 0.47   0.001% *  0.3416% (0.87   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 126.7:
    * O T HA    LEU   71 - HB2   LEU   71   2.99 +/- 0.02  99.739% * 99.7751% (1.00   5.31 126.71) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   8.34 +/- 0.39   0.219% *  0.0837% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  10.97 +/- 0.41   0.042% *  0.1412% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 126.7:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 98.7189% (1.00   4.97 126.71) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  13.50 +/- 0.38   0.000% *  0.2882% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  24.52 +/- 0.74   0.000% *  0.3934% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  24.57 +/- 0.54   0.000% *  0.2726% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  23.70 +/- 0.57   0.000% *  0.1779% (0.45   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  24.88 +/- 1.14   0.000% *  0.1490% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 1.0, support = 4.93, residual support = 126.7:
    * O T QD1   LEU   71 - HB2   LEU   71   2.26 +/- 0.13  99.640% * 98.4289% (1.00   4.93 126.71) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU   71   6.16 +/- 0.38   0.279% *  0.3686% (0.92   0.02  31.44) =   0.001%
          QG1   VAL   18 - HB2   LEU   71   7.96 +/- 0.91   0.069% *  0.3335% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  12.79 +/- 0.49   0.003% *  0.3335% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  11.20 +/- 0.58   0.007% *  0.1362% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  14.44 +/- 0.57   0.002% *  0.3993% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 1.0, support = 5.44, residual support = 126.7:
    * O T QD2   LEU   71 - HB2   LEU   71   3.21 +/- 0.00  97.383% * 98.5650% (1.00   5.44 126.71) =  99.996%  kept
          QD2   LEU   40 - HB2   LEU   71   6.20 +/- 0.51   2.086% *  0.1490% (0.41   0.02   0.02) =   0.003%
          QD1   LEU   67 - HB2   LEU   71   7.95 +/- 0.28   0.428% *  0.1625% (0.45   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   71  11.95 +/- 0.68   0.040% *  0.3552% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  12.27 +/- 0.32   0.031% *  0.2052% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  12.79 +/- 0.56   0.025% *  0.2489% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  15.78 +/- 0.39   0.007% *  0.3143% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 126.7:
    * O T HA    LEU   71 - HB3   LEU   71   2.63 +/- 0.05  99.915% * 99.7235% (1.00   4.31 126.71) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   9.19 +/- 0.75   0.062% *  0.1029% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  11.06 +/- 1.12   0.022% *  0.1735% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 126.7:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.853% * 98.2229% (1.00   4.97 126.71) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   5.84 +/- 1.16   0.139% *  0.1347% (0.34   0.02   2.75) =   0.000%
          HB3   GLN   17 - HB3   LEU   71   9.84 +/- 1.38   0.005% *  0.2555% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.36 +/- 0.41   0.001% *  0.3940% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  12.22 +/- 0.36   0.001% *  0.2078% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  14.13 +/- 0.68   0.000% *  0.3811% (0.97   0.02   0.02) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.87 +/- 0.46   0.000% *  0.0879% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  21.36 +/- 0.86   0.000% *  0.3162% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 1.0, support = 3.68, residual support = 126.7:
    * O T QD1   LEU   71 - HB3   LEU   71   2.79 +/- 0.42  98.141% * 97.9042% (1.00   3.68 126.71) =  99.991%  kept
          QG1   VAL   70 - HB3   LEU   71   6.09 +/- 0.50   1.528% *  0.4917% (0.92   0.02  31.44) =   0.008%
          QG1   VAL   18 - HB3   LEU   71   7.99 +/- 1.13   0.284% *  0.4449% (0.84   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU   71  13.47 +/- 0.70   0.012% *  0.4449% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  11.47 +/- 0.56   0.028% *  0.1817% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  14.49 +/- 0.74   0.007% *  0.5326% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 1.0, support = 4.44, residual support = 126.7:
    * O T QD2   LEU   71 - HB3   LEU   71   2.45 +/- 0.04  99.679% * 98.2480% (1.00   4.44 126.71) =  99.999%  kept
          QD2   LEU   40 - HB3   LEU   71   6.86 +/- 0.48   0.226% *  0.1819% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB3   LEU   71   8.12 +/- 0.35   0.079% *  0.1983% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.83 +/- 0.66   0.005% *  0.4337% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  13.01 +/- 0.91   0.005% *  0.3039% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  13.09 +/- 0.33   0.004% *  0.2505% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  15.96 +/- 0.40   0.001% *  0.3838% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 3.99, residual support = 126.7:
    *   T HA    LEU   71 - QD1   LEU   71   3.32 +/- 0.43  98.931% * 99.7011% (1.00   3.99 126.71) =  99.998%  kept
          HA    ALA   20 - QD1   LEU   71   8.47 +/- 1.41   0.427% *  0.1876% (0.38   0.02   0.02) =   0.001%
          HA    VAL   43 - QD1   LEU   71   7.86 +/- 1.31   0.642% *  0.1113% (0.22   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 126.7:
    * O T HB2   LEU   71 - QD1   LEU   71   2.26 +/- 0.13  99.111% * 98.2071% (1.00   4.93 126.71) =  99.999%  kept
          HB    VAL   41 - QD1   LEU   71   5.53 +/- 0.97   0.792% *  0.1359% (0.34   0.02   2.75) =   0.001%
          HB3   GLN   17 - QD1   LEU   71   8.05 +/- 1.15   0.075% *  0.2577% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  10.96 +/- 0.69   0.008% *  0.3975% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  11.26 +/- 0.61   0.007% *  0.2096% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  12.70 +/- 0.78   0.004% *  0.3845% (0.97   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  12.34 +/- 0.47   0.004% *  0.0887% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  18.14 +/- 1.53   0.000% *  0.3190% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.68, residual support = 126.7:
    * O T HB3   LEU   71 - QD1   LEU   71   2.79 +/- 0.42  99.971% * 98.2742% (1.00   3.68 126.71) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  12.31 +/- 0.89   0.025% *  0.3882% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  21.51 +/- 1.21   0.001% *  0.5299% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  21.69 +/- 1.01   0.001% *  0.3673% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.09 +/- 1.14   0.001% *  0.2397% (0.45   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  21.18 +/- 1.78   0.001% *  0.2007% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 126.7:
    * O T QD2   LEU   71 - QD1   LEU   71   2.03 +/- 0.06  99.878% * 98.1126% (1.00   4.12 126.71) = 100.000%  kept
          QD2   LEU   40 - QD1   LEU   71   6.83 +/- 0.55   0.077% *  0.1959% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD1   LEU   71   7.97 +/- 0.58   0.030% *  0.2137% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  10.45 +/- 1.51   0.008% *  0.3274% (0.69   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  11.30 +/- 0.71   0.004% *  0.4672% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  11.73 +/- 0.44   0.003% *  0.2698% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  14.28 +/- 0.72   0.001% *  0.4134% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.54 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 = 126.7:
    *   T HA    LEU   71 - QD2   LEU   71   1.93 +/- 0.04  99.972% * 99.7614% (1.00   5.00 126.71) = 100.000%  kept
          HA    ALA   20 - QD2   LEU   71   8.35 +/- 0.40   0.016% *  0.1498% (0.38   0.02   0.02) =   0.000%
          HA    VAL   43 - QD2   LEU   71   8.63 +/- 0.24   0.013% *  0.0888% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 126.7:
    * O T HB2   LEU   71 - QD2   LEU   71   3.21 +/- 0.00  94.334% * 98.3724% (1.00   5.44 126.71) =  99.987%  kept
          HB3   GLN   17 - QD2   LEU   71   6.17 +/- 1.22   4.231% *  0.2340% (0.65   0.02   0.02) =   0.011%
          HB    VAL   41 - QD2   LEU   71   7.04 +/- 0.99   1.144% *  0.1234% (0.34   0.02   2.75) =   0.002%
          QB    LYS+  65 - QD2   LEU   71   9.41 +/- 0.53   0.156% *  0.3609% (1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU   71  10.05 +/- 0.33   0.101% *  0.1903% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  13.76 +/- 0.56   0.016% *  0.3490% (0.97   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  13.68 +/- 0.41   0.016% *  0.0805% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  18.30 +/- 0.71   0.003% *  0.2896% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 4.44, residual support = 126.7:
    * O T HB3   LEU   71 - QD2   LEU   71   2.45 +/- 0.04  99.995% * 98.5673% (1.00   4.44 126.71) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.99 +/- 0.23   0.005% *  0.3223% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  21.02 +/- 0.65   0.000% *  0.4399% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  21.27 +/- 0.60   0.000% *  0.3049% (0.69   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  21.31 +/- 0.42   0.000% *  0.1990% (0.45   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  22.27 +/- 0.92   0.000% *  0.1666% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 126.7:
    * O T QD1   LEU   71 - QD2   LEU   71   2.03 +/- 0.06  99.566% * 98.1244% (1.00   4.12 126.71) =  99.998%  kept
          QG1   VAL   70 - QD2   LEU   71   5.75 +/- 0.39   0.229% *  0.4400% (0.92   0.02  31.44) =   0.001%
          QG1   VAL   18 - QD2   LEU   71   5.94 +/- 0.59   0.194% *  0.3981% (0.84   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU   71   9.91 +/- 0.47   0.008% *  0.1626% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  12.34 +/- 0.53   0.002% *  0.4767% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.03 +/- 0.36   0.001% *  0.3981% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 3.42, residual support = 81.1:
    * O T HB2   PHE   72 - HA    PHE   72   2.82 +/- 0.20  98.605% * 99.2349% (0.64   3.42  81.14) =  99.993%  kept
          HA    ALA   64 - HA    PHE   72   5.89 +/- 0.26   1.369% *  0.5044% (0.55   0.02  39.27) =   0.007%
          HB3   ASN   69 - HA    PHE   72  11.34 +/- 0.47   0.025% *  0.2607% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 4.24, residual support = 81.1:
    * O T HB3   PHE   72 - HA    PHE   72   2.91 +/- 0.20  98.906% * 97.3231% (0.66   4.25  81.14) =  99.994%  kept
          HB2   ASP-  44 - HA    PHE   72   6.63 +/- 0.63   0.913% *  0.5000% (0.72   0.02   0.02) =   0.005%
          QG    GLU-  15 - HA    PHE   72   9.27 +/- 1.24   0.129% *  0.5239% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    PHE   72  12.90 +/- 1.35   0.022% *  0.4879% (0.71   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  13.52 +/- 0.53   0.011% *  0.2370% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  12.54 +/- 0.33   0.016% *  0.0816% (0.12   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  20.02 +/- 2.03   0.001% *  0.4233% (0.61   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  20.62 +/- 0.73   0.001% *  0.4233% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 3.42, residual support = 81.1:
    * O T HA    PHE   72 - HB2   PHE   72   2.82 +/- 0.20 100.000% *100.0000% (0.64   3.42  81.14) = 100.000%  kept
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 3.54, residual support = 81.1:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.788% * 96.8086% (0.72   3.54  81.14) =  99.999%  kept
          HB2   ASP-  44 - HB2   PHE   72   5.73 +/- 1.04   0.200% *  0.5961% (0.79   0.02   0.02) =   0.001%
          QG    GLU-  15 - HB2   PHE   72   9.09 +/- 1.59   0.010% *  0.6246% (0.83   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  12.24 +/- 1.22   0.001% *  0.5817% (0.77   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  12.89 +/- 0.81   0.001% *  0.2825% (0.37   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.58 +/- 0.50   0.000% *  0.0972% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  19.43 +/- 1.77   0.000% *  0.5046% (0.67   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  20.24 +/- 1.21   0.000% *  0.5046% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 4.25, residual support = 81.1:
    * O T HA    PHE   72 - HB3   PHE   72   2.91 +/- 0.20 100.000% *100.0000% (0.66   4.25  81.14) = 100.000%  kept
    Distance limit 4.06 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 = 0.725, support = 3.54, residual support = 81.1:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.588% * 99.2609% (0.72   3.54  81.14) =  99.998%  kept
          HA    ALA   64 - HB3   PHE   72   4.49 +/- 0.39   0.410% *  0.4873% (0.63   0.02  39.27) =   0.002%
          HB3   ASN   69 - HB3   PHE   72  11.68 +/- 0.72   0.001% *  0.2518% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 161.3:
    * O T HB2   LEU   73 - HA    LEU   73   2.85 +/- 0.17  99.950% * 97.6842% (1.00   5.00 161.29) = 100.000%  kept
          QD    LYS+  99 - HA    LEU   73  13.73 +/- 0.49   0.009% *  0.3607% (0.92   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  11.97 +/- 0.24   0.019% *  0.1206% (0.31   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  16.25 +/- 0.85   0.003% *  0.3771% (0.97   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  16.21 +/- 0.42   0.003% *  0.3696% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  15.83 +/- 0.76   0.004% *  0.2370% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  13.57 +/- 0.80   0.010% *  0.0870% (0.22   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.26 +/- 0.59   0.002% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.47 +/- 0.46   0.000% *  0.3504% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  21.40 +/- 0.53   0.001% *  0.2528% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 1.0, support = 5.0, residual support = 161.3:
    * O T HB3   LEU   73 - HA    LEU   73   2.78 +/- 0.16  94.461% * 96.7713% (1.00   5.00 161.29) =  99.994%  kept
          HB3   LYS+  74 - HA    LEU   73   4.64 +/- 0.26   4.883% *  0.0678% (0.18   0.02  45.79) =   0.004%
          HB    VAL   42 - HA    LEU   73   6.69 +/- 0.34   0.523% *  0.3837% (0.99   0.02   2.37) =   0.002%
          HG3   LYS+  33 - HA    LEU   73  11.01 +/- 0.68   0.028% *  0.3736% (0.97   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  10.61 +/- 0.31   0.032% *  0.1453% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  12.82 +/- 0.82   0.011% *  0.3837% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  15.66 +/- 2.44   0.013% *  0.2504% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  11.08 +/- 1.28   0.033% *  0.0965% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  14.06 +/- 0.83   0.006% *  0.1453% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.80 +/- 0.35   0.002% *  0.3573% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  14.64 +/- 0.24   0.005% *  0.1320% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.66 +/- 0.81   0.001% *  0.3862% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  22.04 +/- 0.47   0.000% *  0.3794% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.85 +/- 0.98   0.001% *  0.0597% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  20.65 +/- 0.73   0.001% *  0.0678% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 1.0, support = 5.0, residual support = 161.3:
    *   T QD1   LEU   73 - HA    LEU   73   3.40 +/- 0.36  99.606% * 98.4471% (1.00   5.00 161.29) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU   73  10.25 +/- 0.37   0.155% *  0.3938% (1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU   73  11.49 +/- 0.72   0.090% *  0.3153% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   73  11.52 +/- 0.43   0.077% *  0.2229% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   73  12.83 +/- 0.50   0.042% *  0.2229% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  14.90 +/- 0.41   0.016% *  0.3289% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  15.29 +/- 0.51   0.014% *  0.0690% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 161.3:
    *   T QD2   LEU   73 - HA    LEU   73   2.04 +/- 0.24  99.549% * 99.0088% (1.00   5.85 161.29) =  99.999%  kept
          QG1   VAL   43 - HA    LEU   73   5.32 +/- 0.44   0.381% *  0.0941% (0.28   0.02   9.21) =   0.000%
          HG    LEU   31 - HA    LEU   73   7.92 +/- 0.57   0.036% *  0.3266% (0.97   0.02   5.09) =   0.000%
          QG1   VAL   41 - HA    LEU   73   7.93 +/- 0.35   0.033% *  0.1517% (0.45   0.02   0.23) =   0.000%
          QD1   ILE   56 - HA    LEU   73  12.54 +/- 0.25   0.002% *  0.3035% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  19.16 +/- 0.62   0.000% *  0.1154% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 161.3:
    * O T HA    LEU   73 - HB2   LEU   73   2.85 +/- 0.17 100.000% *100.0000% (1.00   5.00 161.29) = 100.000%  kept
    Distance limit 4.67 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 = 1.0, support = 5.0, residual support = 161.3:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.877% * 96.7713% (1.00   5.00 161.29) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   6.50 +/- 0.77   0.049% *  0.3837% (0.99   0.02   2.37) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   6.36 +/- 0.60   0.053% *  0.0678% (0.18   0.02  45.79) =   0.000%
          QB    LEU   98 - HB2   LEU   73   8.72 +/- 0.69   0.007% *  0.1453% (0.38   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73   8.99 +/- 1.44   0.009% *  0.0965% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  11.29 +/- 0.68   0.001% *  0.3736% (0.97   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  14.78 +/- 0.81   0.000% *  0.3837% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  14.80 +/- 0.65   0.000% *  0.3573% (0.92   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  17.37 +/- 2.57   0.000% *  0.2504% (0.65   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  13.44 +/- 0.83   0.001% *  0.1453% (0.38   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  13.71 +/- 0.47   0.000% *  0.1320% (0.34   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  17.66 +/- 1.10   0.000% *  0.3862% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  21.66 +/- 0.46   0.000% *  0.3794% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  17.88 +/- 1.40   0.000% *  0.0597% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  20.56 +/- 0.66   0.000% *  0.0678% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 5.0, residual support = 161.3:
    * O T QD1   LEU   73 - HB2   LEU   73   2.61 +/- 0.34  99.883% * 98.4471% (1.00   5.00 161.29) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU   73  10.22 +/- 0.65   0.045% *  0.3938% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   73  10.73 +/- 1.07   0.024% *  0.3153% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  11.65 +/- 0.77   0.021% *  0.2229% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  11.91 +/- 0.96   0.018% *  0.2229% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  14.83 +/- 0.60   0.004% *  0.3289% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73  13.97 +/- 0.78   0.005% *  0.0690% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.924, support = 5.55, residual support = 145.3:
    * O T QD2   LEU   73 - HB2   LEU   73   2.90 +/- 0.27  53.909% * 86.9936% (1.00   5.85 161.29) =  89.477%  kept
          QG1   VAL   43 - HB2   LEU   73   3.19 +/- 0.97  45.123% * 12.2181% (0.28   2.96   9.21) =  10.519%  kept
          HG    LEU   31 - HB2   LEU   73   6.16 +/- 0.58   0.625% *  0.2869% (0.97   0.02   5.09) =   0.003%
          QG1   VAL   41 - HB2   LEU   73   6.69 +/- 0.63   0.333% *  0.1333% (0.45   0.02   0.23) =   0.001%
        T QD1   ILE   56 - HB2   LEU   73  12.33 +/- 0.36   0.010% *  0.2666% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  18.26 +/- 1.12   0.001% *  0.1014% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 5.0, residual support = 161.3:
    * O T HA    LEU   73 - HB3   LEU   73   2.78 +/- 0.16 100.000% *100.0000% (1.00   5.00 161.29) = 100.000%  kept
    Distance limit 4.26 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 = 5.0, residual support = 161.3:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.997% * 97.6842% (1.00   5.00 161.29) = 100.000%  kept
          QD    LYS+  99 - HB3   LEU   73  13.27 +/- 0.88   0.001% *  0.3607% (0.92   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  11.96 +/- 0.29   0.001% *  0.1206% (0.31   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.57 +/- 0.81   0.000% *  0.3696% (0.95   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  14.92 +/- 1.06   0.000% *  0.3771% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  12.75 +/- 1.08   0.001% *  0.0870% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  15.34 +/- 0.75   0.000% *  0.2370% (0.61   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU   73  16.66 +/- 0.90   0.000% *  0.1606% (0.41   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  21.56 +/- 0.48   0.000% *  0.3504% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.84 +/- 0.87   0.000% *  0.2528% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 4.88, residual support = 161.3:
    * O T QD1   LEU   73 - HB3   LEU   73   2.28 +/- 0.19  99.955% * 98.4094% (1.00   4.88 161.29) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU   73  10.46 +/- 0.49   0.014% *  0.4033% (1.00   0.02   0.02) =   0.000%
        T QD2   LEU   80 - HB3   LEU   73  10.41 +/- 0.83   0.015% *  0.3230% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  11.88 +/- 0.62   0.006% *  0.2284% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  12.20 +/- 0.79   0.006% *  0.2284% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  15.02 +/- 0.51   0.001% *  0.3369% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73  13.71 +/- 0.76   0.002% *  0.0706% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 1.0, support = 5.85, residual support = 161.2:
    * O T QD2   LEU   73 - HB3   LEU   73   2.88 +/- 0.32  68.165% * 99.0088% (1.00   5.85 161.29) =  99.952%  kept
        T QG1   VAL   43 - HB3   LEU   73   3.33 +/- 0.16  30.438% *  0.0941% (0.28   0.02   9.21) =   0.042%
          HG    LEU   31 - HB3   LEU   73   6.06 +/- 0.38   0.966% *  0.3266% (0.97   0.02   5.09) =   0.005%
          QG1   VAL   41 - HB3   LEU   73   6.93 +/- 0.70   0.419% *  0.1517% (0.45   0.02   0.23) =   0.001%
          QD1   ILE   56 - HB3   LEU   73  12.48 +/- 0.33   0.011% *  0.3035% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  18.60 +/- 0.80   0.001% *  0.1154% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.0, residual support = 161.3:
    *   T HA    LEU   73 - QD1   LEU   73   3.40 +/- 0.36  99.802% * 99.5046% (1.00   5.00 161.29) =  99.999%  kept
        T HA    LEU   73 - QD1   LEU   63  10.25 +/- 0.37   0.155% *  0.3980% (1.00   0.02   0.02) =   0.001%
        T HA    LEU   73 - QD1   LEU  104  12.83 +/- 0.50   0.042% *  0.0974% (0.24   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.795, support = 4.13, residual support = 123.6:
    * O T HB2   LEU   73 - QD1   LEU   73   2.61 +/- 0.34  13.298% * 88.0888% (1.00   5.00 161.29) =  73.478%  kept
          QD    LYS+  99 - QD1   LEU  104   2.01 +/- 0.51  61.523% *  6.8643% (0.23   1.72  19.19) =  26.490%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.38 +/- 0.46  24.853% *  0.0192% (0.05   0.02  19.19) =   0.030%
          QG1   ILE   56 - QD1   LEU   63   5.07 +/- 0.31   0.205% *  0.1088% (0.31   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD1   LEU   63   8.31 +/- 0.42   0.013% *  0.2279% (0.65   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   7.06 +/- 0.64   0.064% *  0.0355% (0.10   0.02   0.24) =   0.000%
          QD    LYS+  99 - QD1   LEU   63   9.86 +/- 0.61   0.004% *  0.3253% (0.92   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   9.80 +/- 0.55   0.004% *  0.3333% (0.95   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU   63  10.22 +/- 0.65   0.004% *  0.3524% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.69 +/- 0.46   0.010% *  0.0816% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  11.32 +/- 0.66   0.002% *  0.3160% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  11.39 +/- 0.51   0.002% *  0.3253% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63  10.63 +/- 0.39   0.002% *  0.2137% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  12.46 +/- 0.74   0.001% *  0.3400% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  10.33 +/- 0.56   0.003% *  0.0784% (0.22   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  13.24 +/- 0.74   0.001% *  0.3333% (0.95   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  14.13 +/- 1.04   0.001% *  0.3400% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  11.00 +/- 0.67   0.002% *  0.0784% (0.22   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  11.91 +/- 0.96   0.002% *  0.0862% (0.24   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  11.97 +/- 0.18   0.001% *  0.1088% (0.31   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  13.97 +/- 0.74   0.001% *  0.1449% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  14.83 +/- 0.59   0.000% *  0.2137% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  14.10 +/- 0.60   0.000% *  0.1449% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  11.74 +/- 0.54   0.001% *  0.0558% (0.16   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.02 +/- 0.50   0.001% *  0.0266% (0.08   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  20.04 +/- 0.46   0.000% *  0.3160% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  19.95 +/- 0.43   0.000% *  0.2279% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.26 +/- 0.71   0.000% *  0.0774% (0.22   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  18.02 +/- 0.38   0.000% *  0.0832% (0.24   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  18.41 +/- 0.51   0.000% *  0.0523% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 1.0, support = 4.88, residual support = 161.3:
    * O T HB3   LEU   73 - QD1   LEU   73   2.28 +/- 0.19  97.061% * 92.4348% (1.00   4.88 161.29) =  99.995%  kept
          HB    VAL   42 - QD1   LEU   63   5.66 +/- 0.56   0.586% *  0.3755% (0.99   0.02   0.02) =   0.002%
          HB    VAL   42 - QD1   LEU   73   7.31 +/- 0.34   0.104% *  0.3755% (0.99   0.02   2.37) =   0.000%
          HG3   LYS+  33 - QD1   LEU   73   7.58 +/- 0.51   0.093% *  0.3656% (0.97   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.65 +/- 0.49   0.669% *  0.0348% (0.09   0.02   6.99) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.34 +/- 0.40   0.231% *  0.0663% (0.18   0.02  45.79) =   0.000%
          QB    LEU   98 - QD1   LEU   73   7.66 +/- 0.51   0.087% *  0.1422% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   7.29 +/- 0.83   0.131% *  0.0925% (0.24   0.02   0.24) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.94 +/- 0.39   0.032% *  0.3755% (0.99   0.02   1.22) =   0.000%
          HG    LEU   98 - QD1   LEU   73   8.17 +/- 1.03   0.096% *  0.0945% (0.25   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   8.07 +/- 0.65   0.072% *  0.0919% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.76 +/- 0.29   0.018% *  0.3497% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   7.48 +/- 0.65   0.097% *  0.0585% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.57 +/- 0.28   0.039% *  0.1422% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   8.05 +/- 0.46   0.061% *  0.0856% (0.23   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.34 +/- 0.61   0.014% *  0.3714% (0.98   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU   63  10.46 +/- 0.49   0.013% *  0.3789% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.63 +/- 0.67   0.213% *  0.0231% (0.06   0.02   6.99) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   6.98 +/- 1.45   0.259% *  0.0143% (0.04   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  13.85 +/- 2.36   0.010% *  0.2451% (0.65   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.92 +/- 0.38   0.016% *  0.1422% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63   9.50 +/- 0.45   0.023% *  0.0663% (0.18   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.25 +/- 1.11   0.016% *  0.0945% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  13.81 +/- 0.58   0.002% *  0.3497% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  13.84 +/- 0.65   0.002% *  0.3755% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  11.79 +/- 0.31   0.005% *  0.1292% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.99 +/- 0.39   0.009% *  0.0663% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  14.96 +/- 0.92   0.002% *  0.3780% (1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  12.20 +/- 0.79   0.006% *  0.0927% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.56 +/- 0.76   0.001% *  0.3780% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.36 +/- 0.68   0.003% *  0.1422% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.24 +/- 0.90   0.020% *  0.0162% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  16.63 +/- 1.21   0.001% *  0.3656% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.49 +/- 1.20   0.003% *  0.0895% (0.24   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  15.73 +/- 0.38   0.001% *  0.1292% (0.34   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  17.68 +/- 1.12   0.001% *  0.2451% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  14.90 +/- 0.55   0.001% *  0.0919% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  20.44 +/- 0.38   0.000% *  0.3714% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  16.74 +/- 0.89   0.001% *  0.0585% (0.15   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  17.63 +/- 1.54   0.001% *  0.0600% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  18.62 +/- 0.37   0.000% *  0.0909% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.10 +/- 0.50   0.001% *  0.0348% (0.09   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  18.67 +/- 0.73   0.000% *  0.0663% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  15.93 +/- 0.57   0.001% *  0.0162% (0.04   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  19.32 +/- 0.62   0.000% *  0.0316% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 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 = 1.0, support = 5.85, residual support = 161.2:
    * O T QD2   LEU   73 - QD1   LEU   73   2.07 +/- 0.07  89.982% * 97.3968% (1.00   5.85 161.29) =  99.974%  kept
          HG    LEU   31 - QD1   LEU   73   3.40 +/- 0.15   4.809% *  0.3212% (0.97   0.02   5.09) =   0.018%
          QD1   ILE   56 - QD1   LEU   63   4.30 +/- 0.33   1.232% *  0.2985% (0.90   0.02   0.02) =   0.004%
          QG1   VAL   43 - QD1   LEU   73   3.70 +/- 0.32   3.149% *  0.0925% (0.28   0.02   9.21) =   0.003%
        T QG1   VAL   41 - QD1   LEU   73   5.52 +/- 0.47   0.301% *  0.1492% (0.45   0.02   0.23) =   0.001%
        T QG1   VAL   41 - QD1   LEU  104   5.58 +/- 0.45   0.304% *  0.0365% (0.11   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   7.62 +/- 0.60   0.045% *  0.1135% (0.34   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU   63   9.25 +/- 0.35   0.012% *  0.3329% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.76 +/- 0.31   0.034% *  0.0925% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   6.92 +/- 0.62   0.077% *  0.0278% (0.08   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.31 +/- 0.46   0.012% *  0.1492% (0.45   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104   9.90 +/- 0.42   0.008% *  0.0815% (0.24   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.15 +/- 0.52   0.028% *  0.0227% (0.07   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  12.28 +/- 0.20   0.002% *  0.2985% (0.90   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  14.20 +/- 0.86   0.001% *  0.3212% (0.97   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  11.87 +/- 0.48   0.003% *  0.0731% (0.22   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  12.54 +/- 1.21   0.002% *  0.0786% (0.24   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  17.03 +/- 0.43   0.000% *  0.1135% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 5.85, residual support = 161.3:
    *   T HA    LEU   73 - QD2   LEU   73   2.04 +/- 0.24 100.000% * 99.8836% (1.00   5.85 161.29) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.16 +/- 0.62   0.000% *  0.1164% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 161.3:
    * O T HB2   LEU   73 - QD2   LEU   73   2.90 +/- 0.27  99.331% * 97.2452% (1.00   5.85 161.29) =  99.999%  kept
          QD    LYS+  99 - QD2   LEU   73  10.31 +/- 0.38   0.057% *  0.3068% (0.92   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HG3   LYS+ 121   8.45 +/- 0.29   0.187% *  0.0733% (0.22   0.02   2.19) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121   9.35 +/- 0.98   0.117% *  0.1072% (0.32   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121   9.76 +/- 0.69   0.089% *  0.1046% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  10.07 +/- 0.68   0.069% *  0.0740% (0.22   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  13.59 +/- 0.49   0.011% *  0.3144% (0.95   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  11.44 +/- 0.25   0.029% *  0.1026% (0.31   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  15.09 +/- 0.79   0.006% *  0.3207% (0.97   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  14.21 +/- 0.54   0.009% *  0.1366% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  15.07 +/- 0.62   0.006% *  0.2016% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  11.01 +/- 0.80   0.042% *  0.0252% (0.08   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.80 +/- 1.30   0.018% *  0.0466% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  14.81 +/- 1.37   0.008% *  0.1016% (0.31   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  13.05 +/- 0.61   0.014% *  0.0350% (0.11   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  18.18 +/- 0.50   0.002% *  0.2150% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  19.98 +/- 0.50   0.001% *  0.2981% (0.90   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  18.26 +/- 1.12   0.002% *  0.1133% (0.34   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  19.95 +/- 1.08   0.001% *  0.1094% (0.33   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.51 +/- 0.67   0.001% *  0.0687% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.91, support = 5.86, residual support = 175.8:
    * O T HB3   LEU   73 - QD2   LEU   73   2.88 +/- 0.32  33.345% * 91.4938% (1.00   5.85 161.29) =  90.503%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.53 +/- 0.26  65.028% *  4.9184% (0.05   5.98 314.58) =   9.488%  kept
          HB    VAL   42 - QD2   LEU   73   5.59 +/- 0.35   0.595% *  0.3099% (0.99   0.02   2.37) =   0.005%
          HG3   LYS+  33 - QD2   LEU   73   6.93 +/- 0.57   0.167% *  0.3018% (0.97   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   73   5.85 +/- 0.30   0.473% *  0.0548% (0.18   0.02  45.79) =   0.001%
          QB    LEU   98 - QD2   LEU   73   7.88 +/- 0.32   0.073% *  0.1174% (0.38   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.41 +/- 0.99   0.062% *  0.0780% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  12.29 +/- 2.17   0.021% *  0.2023% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   9.07 +/- 0.63   0.035% *  0.0984% (0.31   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   7.37 +/- 0.98   0.160% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.49 +/- 0.66   0.008% *  0.3099% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  13.98 +/- 0.36   0.002% *  0.2887% (0.92   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  12.63 +/- 0.73   0.005% *  0.1057% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  15.14 +/- 0.70   0.002% *  0.3120% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  13.46 +/- 0.68   0.003% *  0.1174% (0.38   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  13.37 +/- 0.22   0.003% *  0.1067% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  14.49 +/- 1.35   0.003% *  0.1064% (0.34   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  11.93 +/- 0.53   0.006% *  0.0400% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.28 +/- 0.80   0.001% *  0.1045% (0.33   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  13.12 +/- 1.00   0.004% *  0.0266% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  19.91 +/- 0.38   0.000% *  0.3065% (0.98   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  15.75 +/- 0.95   0.001% *  0.0482% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.17 +/- 0.60   0.000% *  0.1057% (0.34   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  18.60 +/- 0.80   0.000% *  0.1066% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  17.29 +/- 0.70   0.001% *  0.0548% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  16.92 +/- 0.66   0.001% *  0.0400% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  23.39 +/- 1.69   0.000% *  0.1029% (0.33   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  25.44 +/- 1.58   0.000% *  0.0690% (0.22   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  23.87 +/- 0.68   0.000% *  0.0364% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.41 +/- 0.56   0.000% *  0.0187% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 161.3:
    * O T QD1   LEU   73 - QD2   LEU   73   2.07 +/- 0.07  99.728% * 98.1125% (1.00   5.85 161.29) = 100.000%  kept
        T QD1   LEU   63 - HG3   LYS+ 121   7.62 +/- 0.60   0.050% *  0.1143% (0.34   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG3   LYS+ 121   6.92 +/- 0.62   0.086% *  0.0647% (0.19   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   6.98 +/- 0.50   0.079% *  0.0647% (0.19   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU   73   9.25 +/- 0.35   0.013% *  0.3353% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73  10.29 +/- 0.50   0.007% *  0.2685% (0.80   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73   9.90 +/- 0.42   0.009% *  0.1898% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73  10.04 +/- 0.48   0.008% *  0.1898% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.03 +/- 0.42   0.016% *  0.0955% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  13.41 +/- 0.38   0.001% *  0.2801% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73  13.30 +/- 0.46   0.001% *  0.0587% (0.18   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  17.03 +/- 0.43   0.000% *  0.1143% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  24.07 +/- 1.00   0.000% *  0.0916% (0.27   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  25.19 +/- 1.44   0.000% *  0.0200% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 176.3:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.51 +/- 0.13  99.924% * 98.3581% (0.64   6.31 176.28) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   8.95 +/- 0.28   0.052% *  0.2047% (0.42   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  13.97 +/- 0.61   0.004% *  0.3489% (0.72   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  12.89 +/- 1.09   0.006% *  0.1744% (0.36   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  16.24 +/- 0.87   0.002% *  0.2673% (0.55   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  14.33 +/- 0.61   0.003% *  0.0970% (0.20   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.90 +/- 1.32   0.004% *  0.0681% (0.14   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.04 +/- 0.35   0.003% *  0.0681% (0.14   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  18.08 +/- 0.44   0.001% *  0.2673% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  19.17 +/- 0.67   0.001% *  0.1460% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 176.3:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.79 +/- 0.26  99.708% * 98.2807% (0.80   6.28 176.28) =  99.999%  kept
          HG13  ILE   19 - HA    LYS+  74   9.08 +/- 0.12   0.095% *  0.2889% (0.74   0.02   5.27) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.34 +/- 1.08   0.031% *  0.3122% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74   8.82 +/- 0.40   0.113% *  0.0619% (0.16   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  11.03 +/- 0.61   0.031% *  0.1898% (0.49   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.41 +/- 0.83   0.016% *  0.1898% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  17.91 +/- 0.71   0.002% *  0.3122% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  16.50 +/- 0.95   0.003% *  0.1403% (0.36   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  17.60 +/- 0.48   0.002% *  0.1174% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  20.34 +/- 1.52   0.001% *  0.1067% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.747, support = 0.0199, residual support = 162.0:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.71 +/- 0.11  75.451% * 17.4302% (0.80   0.02 176.28) =  90.523%  kept
          HB    VAL   75 - HA    LYS+  74   4.61 +/- 0.52  23.857% *  5.3798% (0.25   0.02  26.97) =   8.834%  kept
          QD2   LEU   71 - HA    LYS+  74   9.26 +/- 0.29   0.321% * 11.9729% (0.55   0.02   0.02) =   0.265%
          QD2   LEU   40 - HA    LYS+  74  10.58 +/- 0.46   0.147% * 15.6319% (0.72   0.02   0.02) =   0.158%
          QD1   LEU   67 - HA    LYS+  74  10.80 +/- 0.16   0.127% * 16.0901% (0.74   0.02   0.02) =   0.141%
          QG2   ILE  103 - HA    LYS+  74  13.32 +/- 0.41   0.036% * 17.0851% (0.78   0.02   0.02) =   0.043%
          QD1   ILE  103 - HA    LYS+  74  13.16 +/- 0.64   0.042% *  9.8682% (0.45   0.02   0.02) =   0.028%
          QG2   ILE  119 - HA    LYS+  74  14.92 +/- 0.53   0.019% *  6.5418% (0.30   0.02   0.02) =   0.009%
    Distance limit 3.42 A violated in 12 structures by 0.13 A, eliminated.
    Peak unassigned.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 176.3:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.31 +/- 0.34  99.941% * 98.3904% (0.80   5.91 176.28) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74   9.06 +/- 0.38   0.049% *  0.2887% (0.69   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  13.39 +/- 0.60   0.004% *  0.1885% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  13.90 +/- 1.12   0.003% *  0.1885% (0.45   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  15.12 +/- 0.67   0.002% *  0.1620% (0.39   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  18.03 +/- 0.53   0.001% *  0.2019% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  19.79 +/- 0.44   0.000% *  0.2780% (0.67   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  19.46 +/- 1.43   0.000% *  0.1135% (0.27   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  22.12 +/- 0.58   0.000% *  0.1885% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 176.3:
    *   T QE    LYS+  74 - HA    LYS+  74   2.85 +/- 0.18  98.544% * 99.0166% (0.80   4.93 176.28) =  99.998%  kept
          HB2   PHE   72 - HA    LYS+  74   6.16 +/- 0.77   1.354% *  0.1241% (0.25   0.02   0.02) =   0.002%
          QB    CYS   50 - HA    LYS+  74   9.67 +/- 0.69   0.080% *  0.4011% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  11.89 +/- 0.43   0.021% *  0.1509% (0.30   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  17.78 +/- 0.38   0.002% *  0.3072% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 176.3:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.51 +/- 0.13  99.991% * 99.6731% (0.64   6.31 176.28) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  12.57 +/- 0.29   0.006% *  0.2391% (0.49   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  14.54 +/- 0.34   0.003% *  0.0878% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 176.3:
    * O T HG2   LYS+  74 - HB2   LYS+  74   2.93 +/- 0.21  99.480% * 98.1566% (0.80   5.85 176.28) =  99.999%  kept
          HG13  ILE   19 - HB2   LYS+  74   7.77 +/- 0.35   0.306% *  0.3097% (0.74   0.02   5.27) =   0.001%
          HG    LEU   71 - HB2   LYS+  74  10.73 +/- 1.18   0.056% *  0.3348% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74   9.36 +/- 0.44   0.109% *  0.0664% (0.16   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.23 +/- 0.92   0.022% *  0.2035% (0.49   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  12.35 +/- 0.93   0.021% *  0.2035% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  18.49 +/- 0.81   0.002% *  0.3348% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  18.65 +/- 0.94   0.002% *  0.1504% (0.36   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  19.04 +/- 0.47   0.001% *  0.1259% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  20.71 +/- 1.72   0.001% *  0.1144% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 176.3:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.57 +/- 0.09  99.576% * 98.2356% (0.80   5.27 176.28) =  99.999%  kept
          HB    VAL   75 - HB2   LYS+  74   6.88 +/- 0.44   0.293% *  0.1150% (0.25   0.02  26.97) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   8.37 +/- 0.42   0.085% *  0.2559% (0.55   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HB2   LYS+  74  10.59 +/- 0.17   0.021% *  0.3438% (0.74   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  11.12 +/- 0.46   0.016% *  0.3340% (0.72   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  14.71 +/- 0.38   0.003% *  0.3651% (0.78   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  14.71 +/- 0.73   0.003% *  0.2109% (0.45   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  14.75 +/- 0.60   0.003% *  0.1398% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 176.3:
    * O T HD2   LYS+  74 - HB2   LYS+  74   3.10 +/- 0.50  99.624% * 98.4915% (0.80   6.31 176.28) =  99.999%  kept
          QB    ALA   57 - HB2   LYS+  74   8.51 +/- 0.47   0.285% *  0.2706% (0.69   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+  74  11.66 +/- 0.67   0.050% *  0.1766% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.43 +/- 1.28   0.028% *  0.1766% (0.45   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  17.16 +/- 0.66   0.005% *  0.1519% (0.39   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  18.55 +/- 0.59   0.003% *  0.1892% (0.49   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  21.27 +/- 0.45   0.001% *  0.2606% (0.67   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  19.87 +/- 1.67   0.003% *  0.1064% (0.27   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.72 +/- 0.68   0.001% *  0.1766% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 176.3:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.35 +/- 0.65  98.425% * 98.9526% (0.80   4.62 176.28) =  99.998%  kept
          HB2   PHE   72 - HB2   LYS+  74   5.39 +/- 0.54   1.520% *  0.1322% (0.25   0.02   0.02) =   0.002%
          QB    CYS   50 - HB2   LYS+  74  10.16 +/- 0.81   0.044% *  0.4273% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  13.05 +/- 0.42   0.010% *  0.1607% (0.30   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  16.93 +/- 0.33   0.002% *  0.3273% (0.61   0.02   0.02) =   0.000%
    Distance limit 5.16 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 = 176.3:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.79 +/- 0.26  99.527% * 99.6026% (0.80   6.28 176.28) = 100.000%  kept
          HA    THR   94 - HG3   LYS+ 111   7.44 +/- 0.76   0.365% *  0.0257% (0.06   0.02   0.02) =   0.000%
          HA    THR   94 - HG2   LYS+  74  11.91 +/- 0.68   0.017% *  0.2402% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  12.75 +/- 0.28   0.012% *  0.0882% (0.22   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111   9.50 +/- 0.70   0.078% *  0.0094% (0.02   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  17.60 +/- 0.48   0.002% *  0.0339% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 176.3:
    * O T HB2   LYS+  74 - HG2   LYS+  74   2.93 +/- 0.21  99.202% * 98.0100% (0.80   5.85 176.28) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   9.28 +/- 0.55   0.121% *  0.2201% (0.53   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.16 +/- 0.73   0.322% *  0.0307% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  13.00 +/- 1.39   0.015% *  0.1876% (0.45   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   7.98 +/- 0.43   0.290% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  16.19 +/- 1.33   0.004% *  0.3752% (0.90   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  16.84 +/- 1.42   0.003% *  0.2874% (0.69   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  13.08 +/- 0.56   0.015% *  0.0307% (0.07   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  15.90 +/- 1.46   0.004% *  0.1043% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.93 +/- 1.07   0.006% *  0.0733% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  19.12 +/- 1.02   0.001% *  0.2874% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  16.21 +/- 1.41   0.004% *  0.0733% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  14.78 +/- 1.36   0.008% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  20.98 +/- 1.14   0.001% *  0.1570% (0.38   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  19.04 +/- 0.47   0.001% *  0.0358% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  21.51 +/- 0.68   0.001% *  0.0401% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.55 +/- 0.52   0.001% *  0.0200% (0.05   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  20.04 +/- 0.62   0.001% *  0.0111% (0.03   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.24 +/- 0.62   0.000% *  0.0235% (0.06   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  19.99 +/- 0.72   0.001% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 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 = 1.0, support = 4.54, residual support = 176.3:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.910% * 97.6970% (1.00   4.54 176.28) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.83 +/- 0.49   0.082% *  0.1329% (0.31   0.02  26.97) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  10.47 +/- 0.65   0.002% *  0.2957% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  12.25 +/- 1.02   0.001% *  0.3973% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.58 +/- 1.01   0.001% *  0.3860% (0.90   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.29 +/- 0.77   0.000% *  0.4219% (0.98   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  15.18 +/- 0.59   0.000% *  0.2437% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  15.66 +/- 1.03   0.000% *  0.1615% (0.38   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  12.75 +/- 0.66   0.001% *  0.0451% (0.10   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.21 +/- 0.53   0.001% *  0.0173% (0.04   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  15.34 +/- 0.36   0.000% *  0.0425% (0.10   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  14.56 +/- 1.03   0.000% *  0.0260% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  15.81 +/- 0.55   0.000% *  0.0413% (0.10   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  18.98 +/- 0.51   0.000% *  0.0460% (0.11   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  17.77 +/- 0.71   0.000% *  0.0142% (0.03   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.31 +/- 0.42   0.000% *  0.0316% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.968, support = 5.36, residual support = 170.6:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.49 +/- 0.16  72.202% * 90.3909% (1.00   5.54 176.28) =  96.771%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.93 +/- 0.03  27.714% *  7.8577% (0.09   5.40 312.26) =   3.229%
          QB    ALA   57 - HG2   LYS+  74   8.16 +/- 0.65   0.068% *  0.2829% (0.87   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.32 +/- 1.01   0.003% *  0.1846% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.26 +/- 1.18   0.001% *  0.1846% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  15.32 +/- 0.84   0.001% *  0.1587% (0.49   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.43 +/- 0.18   0.005% *  0.0302% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.72 +/- 1.27   0.000% *  0.1978% (0.61   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.68 +/- 0.79   0.000% *  0.2724% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.29 +/- 0.54   0.002% *  0.0211% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  16.61 +/- 0.44   0.001% *  0.0349% (0.11   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.57 +/- 1.60   0.000% *  0.1112% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  23.28 +/- 1.24   0.000% *  0.1846% (0.57   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.01 +/- 0.64   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.94 +/- 0.46   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.89 +/- 1.60   0.000% *  0.0170% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.23 +/- 1.09   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  26.66 +/- 0.95   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 176.3:
    * O T QE    LYS+  74 - HG2   LYS+  74   3.32 +/- 0.41  97.746% * 98.7753% (1.00   4.54 176.28) =  99.995%  kept
          QB    CYS   50 - HG2   LYS+  74   8.36 +/- 0.76   0.564% *  0.4342% (1.00   0.02   0.02) =   0.003%
          HB2   PHE   72 - HG2   LYS+  74   7.75 +/- 1.17   1.508% *  0.1343% (0.31   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HG2   LYS+  74  10.52 +/- 0.83   0.124% *  0.1633% (0.38   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  12.82 +/- 0.74   0.036% *  0.0464% (0.11   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  19.44 +/- 1.04   0.003% *  0.3326% (0.76   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  15.29 +/- 0.90   0.012% *  0.0465% (0.11   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  19.39 +/- 1.24   0.003% *  0.0175% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  19.21 +/- 1.04   0.003% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  27.12 +/- 0.61   0.000% *  0.0355% (0.08   0.02   0.02) =   0.000%
    Distance limit 5.14 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 = 176.3:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.71 +/- 0.11  99.903% * 99.6297% (0.80   5.57 176.28) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.88 +/- 0.42   0.058% *  0.2709% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  13.75 +/- 0.29   0.039% *  0.0994% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 176.3:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.57 +/- 0.09  99.935% * 98.0409% (0.80   5.27 176.28) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   9.55 +/- 0.48   0.043% *  0.2442% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  11.89 +/- 1.35   0.012% *  0.2081% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  16.41 +/- 0.96   0.002% *  0.4163% (0.90   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  16.94 +/- 1.07   0.001% *  0.3189% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  15.64 +/- 0.97   0.002% *  0.1158% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.17 +/- 0.65   0.002% *  0.0813% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  19.09 +/- 0.69   0.001% *  0.3189% (0.69   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.58 +/- 1.28   0.002% *  0.0813% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  21.34 +/- 0.84   0.000% *  0.1742% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 176.3:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.987% * 97.6365% (1.00   4.54 176.28) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74   9.70 +/- 0.43   0.004% *  0.3971% (0.92   0.02   5.27) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74   8.80 +/- 0.52   0.007% *  0.0851% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  11.34 +/- 1.26   0.002% *  0.2609% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.05 +/- 1.27   0.001% *  0.4292% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.24 +/- 0.96   0.000% *  0.2609% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  17.93 +/- 0.94   0.000% *  0.1929% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.83 +/- 0.85   0.000% *  0.4292% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  18.98 +/- 0.51   0.000% *  0.1614% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  23.09 +/- 1.73   0.000% *  0.1467% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 176.3:
    * O T HD2   LYS+  74 - HG3   LYS+  74   3.03 +/- 0.07  99.508% * 98.0930% (1.00   4.97 176.28) =  99.998%  kept
          QB    ALA   57 - HG3   LYS+  74   7.57 +/- 0.52   0.452% *  0.3421% (0.87   0.02   0.02) =   0.002%
          QD    LYS+  65 - HG3   LYS+  74  12.21 +/- 0.86   0.026% *  0.2233% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  15.29 +/- 1.19   0.007% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  16.75 +/- 0.65   0.004% *  0.1920% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.96 +/- 0.84   0.001% *  0.2392% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  21.40 +/- 0.51   0.001% *  0.3294% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  22.00 +/- 1.67   0.001% *  0.1345% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.95 +/- 0.86   0.001% *  0.2233% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 176.3:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.88 +/- 0.28  99.301% * 98.7918% (1.00   4.00 176.28) =  99.998%  kept
          QB    CYS   50 - HG3   LYS+  74   8.53 +/- 0.91   0.223% *  0.4929% (1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HG3   LYS+  74   7.57 +/- 0.79   0.443% *  0.1525% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG3   LYS+  74  11.36 +/- 0.51   0.032% *  0.1854% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  19.11 +/- 0.62   0.001% *  0.3775% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 176.3:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.31 +/- 0.34  99.975% * 99.5012% (0.80   5.91 176.28) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  10.24 +/- 0.36   0.016% *  0.2550% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  11.56 +/- 0.62   0.008% *  0.0936% (0.22   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  19.46 +/- 1.43   0.001% *  0.0738% (0.18   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.80 +/- 0.99   0.000% *  0.0559% (0.13   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  26.89 +/- 1.15   0.000% *  0.0205% (0.05   0.02   0.02) =   0.000%
    Distance limit 5.15 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 = 0.799, support = 0.02, residual support = 175.9:
    * O T HB2   LYS+  74 - HD2   LYS+  74   3.10 +/- 0.50  99.316% * 13.0802% (0.80   0.02 176.28) =  99.789%  kept
          HB3   LEU   40 - QD    LYS+  38   9.86 +/- 1.21   0.315% *  3.2126% (0.20   0.02   0.02) =   0.078%
          QG2   THR   26 - HD2   LYS+  74  10.34 +/- 0.37   0.112% *  8.5943% (0.53   0.02   0.02) =   0.074%
        T HG2   LYS+  65 - HD2   LYS+  74  12.56 +/- 1.42   0.029% *  7.3236% (0.45   0.02   0.02) =   0.016%
          HB3   LEU   40 - HD2   LYS+  74  15.37 +/- 0.65   0.009% * 14.6499% (0.90   0.02   0.02) =   0.010%
          HG    LEU  115 - HD2   LYS+  74  15.20 +/- 0.86   0.010% * 11.2207% (0.69   0.02   0.02) =   0.009%
          HG    LEU   40 - QD    LYS+  38  10.34 +/- 0.82   0.122% *  0.6273% (0.04   0.02   0.02) =   0.006%
          HB3   LEU  115 - HD2   LYS+  74  13.23 +/- 0.48   0.021% *  2.8608% (0.18   0.02   0.02) =   0.005%
          HG    LEU   67 - HD2   LYS+  74  14.92 +/- 0.97   0.011% *  4.0732% (0.25   0.02   0.02) =   0.003%
          QB    ALA  120 - HD2   LYS+  74  17.82 +/- 0.60   0.004% * 11.2207% (0.69   0.02   0.02) =   0.003%
          HG    LEU   40 - HD2   LYS+  74  15.22 +/- 1.45   0.010% *  2.8608% (0.18   0.02   0.02) =   0.002%
          HG    LEU   67 - QD    LYS+  38  14.97 +/- 1.69   0.018% *  0.8932% (0.05   0.02   0.02) =   0.001%
          QG2   THR   26 - QD    LYS+  38  15.95 +/- 0.97   0.008% *  1.8846% (0.12   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.43 +/- 0.74   0.002% *  6.1308% (0.38   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  19.87 +/- 1.67   0.003% *  2.8684% (0.18   0.02   0.02) =   0.001%
          QB    ALA  120 - QD    LYS+  38  18.69 +/- 0.78   0.003% *  2.4606% (0.15   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+  38  17.70 +/- 1.52   0.004% *  1.3444% (0.08   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.30 +/- 2.24   0.002% *  1.6060% (0.10   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  24.86 +/- 1.26   0.001% *  2.4606% (0.15   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  22.70 +/- 1.14   0.001% *  0.6273% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 18 structures by 0.73 A, eliminated.
    Peak unassigned.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.912, support = 5.54, residual support = 179.9:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.49 +/- 0.16  40.731% * 91.0400% (1.00   5.54 176.28) =  90.517%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.34 +/- 0.13  57.863% *  6.7120% (0.07   5.46 214.56) =   9.480%  kept
          HG    LEU   71 - QD    LYS+  38  11.92 +/- 2.33   1.102% *  0.0719% (0.22   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - QD    LYS+  38   6.42 +/- 0.79   0.157% *  0.0719% (0.22   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   7.40 +/- 0.44   0.060% *  0.0650% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  38   7.37 +/- 0.40   0.061% *  0.0437% (0.13   0.02  30.23) =   0.000%
          QB    ALA   91 - HD2   LYS+  74   9.90 +/- 1.16   0.012% *  0.1992% (0.61   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  10.66 +/- 0.38   0.007% *  0.3032% (0.92   0.02   5.27) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  13.19 +/- 0.99   0.002% *  0.3278% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.83 +/- 0.98   0.001% *  0.1992% (0.61   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.91 +/- 2.03   0.002% *  0.0665% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  16.12 +/- 1.02   0.001% *  0.1473% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.52 +/- 0.85   0.000% *  0.3278% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  16.61 +/- 0.44   0.000% *  0.1233% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.33 +/- 1.59   0.000% *  0.1120% (0.34   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.57 +/- 1.60   0.000% *  0.0720% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.65 +/- 1.36   0.000% *  0.0437% (0.13   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.11 +/- 1.29   0.000% *  0.0143% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  26.66 +/- 0.95   0.000% *  0.0270% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  28.61 +/- 1.01   0.000% *  0.0323% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 1.0, support = 4.97, residual support = 176.3:
    * O T HG3   LYS+  74 - HD2   LYS+  74   3.03 +/- 0.07  95.173% * 97.6464% (1.00   4.97 176.28) =  99.994%  kept
          HB    VAL   75 - HD2   LYS+  74   5.67 +/- 0.83   3.044% *  0.1212% (0.31   0.02  26.97) =   0.004%
          QD2   LEU   71 - QD    LYS+  38  11.08 +/- 1.80   1.301% *  0.0591% (0.15   0.02   0.02) =   0.001%
          QD2   LEU   40 - QD    LYS+  38   8.71 +/- 0.65   0.207% *  0.0772% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.64 +/- 0.30   0.051% *  0.2697% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   67 - HD2   LYS+  74  11.35 +/- 0.49   0.035% *  0.3624% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  11.73 +/- 0.41   0.029% *  0.3521% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.09 +/- 1.30   0.047% *  0.0795% (0.20   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  14.14 +/- 0.48   0.010% *  0.3848% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  11.72 +/- 0.78   0.030% *  0.0844% (0.21   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  10.99 +/- 1.03   0.050% *  0.0487% (0.12   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  14.24 +/- 0.82   0.010% *  0.2223% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  14.45 +/- 0.74   0.008% *  0.1473% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  22.00 +/- 1.67   0.001% *  0.0861% (0.22   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  18.69 +/- 1.16   0.002% *  0.0323% (0.08   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  19.95 +/- 0.90   0.001% *  0.0266% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 176.3:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.24 +/- 0.05  99.700% * 98.7292% (1.00   4.97 176.28) =  99.999%  kept
          QB    CYS   50 - HD2   LYS+  74   7.89 +/- 0.86   0.068% *  0.3960% (1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HD2   LYS+  74   7.22 +/- 0.82   0.114% *  0.1225% (0.31   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.64 +/- 1.94   0.107% *  0.0665% (0.17   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  10.87 +/- 0.87   0.009% *  0.1490% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  19.03 +/- 0.46   0.000% *  0.3033% (0.76   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  16.36 +/- 1.67   0.002% *  0.0269% (0.07   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  18.72 +/- 1.69   0.000% *  0.0870% (0.22   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  25.23 +/- 1.60   0.000% *  0.0868% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  28.75 +/- 1.11   0.000% *  0.0327% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 176.3:
    *   T HA    LYS+  74 - QE    LYS+  74   2.85 +/- 0.18  99.906% * 99.5813% (0.80   4.93 176.28) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   9.84 +/- 0.79   0.063% *  0.3063% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  11.26 +/- 0.79   0.031% *  0.1124% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 176.3:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.35 +/- 0.65  99.794% * 97.7702% (0.80   4.62 176.28) =  99.999%  kept
          QG2   THR   26 - QE    LYS+  74   9.32 +/- 0.85   0.148% *  0.2780% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74  10.12 +/- 1.95   0.020% *  0.2369% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  13.37 +/- 1.11   0.005% *  0.4739% (0.90   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  13.44 +/- 1.41   0.006% *  0.3630% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.74 +/- 1.36   0.012% *  0.0925% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  12.64 +/- 1.51   0.007% *  0.1318% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  15.58 +/- 1.37   0.002% *  0.3630% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  13.35 +/- 1.85   0.006% *  0.0925% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  17.21 +/- 1.61   0.001% *  0.1983% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 176.3:
    * O T HG2   LYS+  74 - QE    LYS+  74   3.32 +/- 0.41  97.205% * 97.6365% (1.00   4.54 176.28) =  99.995%  kept
          QG2   ILE   56 - QE    LYS+  74   6.74 +/- 0.78   2.004% *  0.0851% (0.20   0.02   0.02) =   0.002%
          HG13  ILE   19 - QE    LYS+  74   8.92 +/- 0.77   0.361% *  0.3971% (0.92   0.02   5.27) =   0.002%
          QB    ALA   91 - QE    LYS+  74   9.61 +/- 1.13   0.230% *  0.2609% (0.61   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+  74  11.27 +/- 1.19   0.099% *  0.4292% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  11.97 +/- 1.18   0.066% *  0.2609% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.27 +/- 1.29   0.007% *  0.4292% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  15.57 +/- 1.52   0.012% *  0.1929% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  15.29 +/- 0.90   0.012% *  0.1614% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  19.72 +/- 1.75   0.004% *  0.1467% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 1.0, support = 4.0, residual support = 176.3:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.88 +/- 0.28  97.722% * 97.6862% (1.00   4.00 176.28) =  99.996%  kept
          HB    VAL   75 - QE    LYS+  74   6.23 +/- 0.87   1.937% *  0.1508% (0.31   0.02  26.97) =   0.003%
          QD1   LEU   67 - QE    LYS+  74   9.65 +/- 1.23   0.100% *  0.4509% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   8.95 +/- 0.84   0.133% *  0.3355% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  10.34 +/- 0.85   0.056% *  0.4380% (0.90   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  12.94 +/- 0.67   0.014% *  0.4788% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  12.45 +/- 1.45   0.022% *  0.1833% (0.38   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  13.12 +/- 0.95   0.015% *  0.2765% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 176.3:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.24 +/- 0.05  99.701% * 98.0930% (1.00   4.97 176.28) =  99.999%  kept
          QB    ALA   57 - QE    LYS+  74   6.28 +/- 0.87   0.281% *  0.3421% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  65 - QE    LYS+  74  10.63 +/- 1.43   0.012% *  0.2233% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.66 +/- 1.33   0.002% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  14.95 +/- 1.59   0.002% *  0.1920% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.98 +/- 1.50   0.001% *  0.2392% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  17.38 +/- 0.91   0.000% *  0.3294% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.96 +/- 1.79   0.000% *  0.2233% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  18.72 +/- 1.69   0.000% *  0.1345% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 1.0, support = 3.44, residual support = 83.2:
    * O T HB    VAL   75 - HA    VAL   75   2.91 +/- 0.17  98.110% * 98.6248% (1.00   3.44  83.21) =  99.997%  kept
          HG3   LYS+  74 - HA    VAL   75   5.75 +/- 0.36   1.861% *  0.1770% (0.31   0.02  26.97) =   0.003%
          QD2   LEU   40 - HA    VAL   75  13.22 +/- 0.51   0.012% *  0.3246% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  14.24 +/- 0.19   0.007% *  0.3017% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  15.13 +/- 0.53   0.005% *  0.2357% (0.41   0.02   0.02) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  16.62 +/- 0.62   0.003% *  0.2357% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  18.49 +/- 0.42   0.002% *  0.1004% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 83.2:
    * O T QG1   VAL   75 - HA    VAL   75   2.73 +/- 0.22  99.996% * 99.5292% (1.00   4.00  83.21) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  15.44 +/- 0.83   0.004% *  0.4708% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 83.2:
    * O T QG2   VAL   75 - HA    VAL   75   2.19 +/- 0.10  99.993% * 99.5198% (1.00   4.00  83.21) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  11.36 +/- 0.82   0.007% *  0.4802% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 83.2:
    * O T HA    VAL   75 - HB    VAL   75   2.91 +/- 0.17  99.981% * 99.1755% (1.00   3.44  83.21) = 100.000%  kept
          HD3   PRO   58 - HB    VAL   75  15.87 +/- 0.31   0.004% *  0.5171% (0.90   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  14.12 +/- 0.52   0.009% *  0.1284% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  15.57 +/- 0.35   0.004% *  0.0780% (0.14   0.02   0.02) =   0.000%
        T HA    ILE  119 - HB    VAL   75  18.60 +/- 0.59   0.002% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 83.2:
    * O T QG1   VAL   75 - HB    VAL   75   2.14 +/- 0.00  99.999% * 99.4530% (1.00   3.44  83.21) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  14.51 +/- 0.63   0.001% *  0.5470% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 83.2:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.01  99.992% * 99.4207% (1.00   3.31  83.21) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75  10.26 +/- 0.57   0.008% *  0.5793% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 83.2:
    * O T HA    VAL   75 - QG1   VAL   75   2.73 +/- 0.22  99.958% * 99.2901% (1.00   4.00  83.21) = 100.000%  kept
          HD3   PRO   58 - QG1   VAL   75  13.93 +/- 0.93   0.010% *  0.4452% (0.90   0.02   0.02) =   0.000%
        T HA    ALA   61 - QG1   VAL   75  12.84 +/- 0.98   0.017% *  0.1105% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.43 +/- 0.49   0.012% *  0.0672% (0.14   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  16.55 +/- 1.32   0.004% *  0.0869% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 1.0, support = 3.44, residual support = 83.2:
    * O T HB    VAL   75 - QG1   VAL   75   2.14 +/- 0.00  99.879% * 98.6248% (1.00   3.44  83.21) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.86 +/- 0.46   0.102% *  0.1770% (0.31   0.02  26.97) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  10.84 +/- 1.03   0.008% *  0.3246% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  11.44 +/- 0.95   0.005% *  0.2357% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.23 +/- 0.97   0.003% *  0.3017% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  14.02 +/- 1.08   0.001% *  0.2357% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  14.77 +/- 1.13   0.001% *  0.1004% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 83.2:
    * O T QG2   VAL   75 - QG1   VAL   75   2.09 +/- 0.02  99.970% * 99.5198% (1.00   4.00  83.21) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   9.57 +/- 1.32   0.030% *  0.4802% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 83.2:
    * O T HA    VAL   75 - QG2   VAL   75   2.19 +/- 0.10  99.993% * 99.2901% (1.00   4.00  83.21) = 100.000%  kept
          HD3   PRO   58 - QG2   VAL   75  14.60 +/- 0.34   0.001% *  0.4452% (0.90   0.02   0.02) =   0.000%
          HA    ALA   61 - QG2   VAL   75  12.31 +/- 0.39   0.003% *  0.1105% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.18 +/- 0.31   0.001% *  0.0672% (0.14   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  16.53 +/- 0.63   0.001% *  0.0869% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 1.0, support = 3.31, residual support = 83.2:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.01  99.838% * 98.5726% (1.00   3.31  83.21) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.35 +/- 0.25   0.142% *  0.1837% (0.31   0.02  26.97) =   0.000%
          QD2   LEU   40 - QG2   VAL   75   9.93 +/- 0.49   0.010% *  0.3370% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  11.45 +/- 0.30   0.004% *  0.3131% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  11.39 +/- 0.52   0.004% *  0.2447% (0.41   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  14.26 +/- 0.60   0.001% *  0.2447% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  14.11 +/- 0.48   0.001% *  0.1042% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 83.2:
    * O T QG1   VAL   75 - QG2   VAL   75   2.09 +/- 0.02  99.999% * 99.5292% (1.00   4.00  83.21) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  13.40 +/- 0.69   0.001% *  0.4708% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 1.0, support = 2.93, residual support = 36.3:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.99 +/- 0.04  94.736% * 98.0908% (1.00   2.93  36.31) =  99.986%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.74 +/- 0.56   2.288% *  0.4867% (0.73   0.02   5.07) =   0.012%
          HB2   ASN   69 - HA    LEU   67   5.83 +/- 0.37   1.846% *  0.1078% (0.16   0.02   3.01) =   0.002%
        T QE    LYS+  66 - HA    LEU   67   7.14 +/- 0.90   1.106% *  0.0245% (0.04   0.02  10.27) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  14.64 +/- 0.24   0.007% *  0.1034% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  13.69 +/- 1.52   0.013% *  0.0245% (0.04   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  18.40 +/- 1.28   0.002% *  0.1492% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  24.14 +/- 0.30   0.000% *  0.6570% (0.98   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  20.85 +/- 0.64   0.001% *  0.1492% (0.22   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  23.08 +/- 0.61   0.000% *  0.1100% (0.16   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  26.88 +/- 0.80   0.000% *  0.0799% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  22.45 +/- 0.33   0.001% *  0.0170% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 3.0, residual support = 36.3:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.65 +/- 0.18  99.902% * 96.2146% (0.87   3.00  36.31) = 100.000%  kept
          HG3   MET   92 - HA    ASP-  76  11.00 +/- 1.24   0.026% *  0.6414% (0.87   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  10.35 +/- 0.57   0.032% *  0.1001% (0.14   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  12.47 +/- 0.32   0.010% *  0.2522% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  15.82 +/- 0.31   0.002% *  0.5651% (0.76   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  13.46 +/- 0.55   0.007% *  0.1202% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  19.24 +/- 0.31   0.001% *  0.7329% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  12.28 +/- 0.45   0.011% *  0.0455% (0.06   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  14.69 +/- 0.42   0.004% *  0.0971% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.47 +/- 0.68   0.001% *  0.2775% (0.38   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.18 +/- 0.29   0.003% *  0.0414% (0.06   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  25.41 +/- 1.23   0.000% *  0.5921% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  20.37 +/- 0.45   0.001% *  0.0927% (0.13   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  23.12 +/- 0.78   0.000% *  0.1052% (0.14   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  25.54 +/- 1.30   0.000% *  0.1052% (0.14   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  27.36 +/- 0.83   0.000% *  0.0164% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.93, residual support = 36.3:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.99 +/- 0.04  98.814% * 99.5270% (1.00   2.93  36.31) = 100.000%  kept
        T HA    LEU   67 - QE    LYS+  66   7.14 +/- 0.90   1.170% *  0.0353% (0.05   0.02  10.27) =   0.000%
        T HA    LEU   67 - QE    LYS+  33  13.69 +/- 1.52   0.013% *  0.0253% (0.04   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  33  18.40 +/- 1.28   0.002% *  0.1014% (0.15   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  20.85 +/- 0.64   0.001% *  0.1414% (0.21   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  23.08 +/- 0.61   0.000% *  0.1696% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 2.93, residual support = 36.3:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.956% * 95.4065% (0.87   2.93  36.31) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   7.64 +/- 1.23   0.028% *  0.0857% (0.11   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   8.31 +/- 0.70   0.011% *  0.0586% (0.08   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  12.93 +/- 1.65   0.001% *  0.6520% (0.87   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  10.98 +/- 0.68   0.002% *  0.1017% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  14.93 +/- 0.49   0.000% *  0.5744% (0.76   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.25 +/- 1.41   0.001% *  0.0898% (0.12   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  13.32 +/- 1.01   0.001% *  0.1549% (0.21   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  14.49 +/- 0.29   0.000% *  0.2564% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  21.74 +/- 0.31   0.000% *  0.7450% (0.99   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  15.19 +/- 1.12   0.000% *  0.0382% (0.05   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  21.24 +/- 0.75   0.000% *  0.2821% (0.38   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.02 +/- 1.25   0.000% *  0.1251% (0.17   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.81 +/- 0.53   0.000% *  0.0533% (0.07   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.23 +/- 1.30   0.000% *  0.1111% (0.15   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  19.06 +/- 1.33   0.000% *  0.0972% (0.13   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  26.68 +/- 1.32   0.000% *  0.6018% (0.80   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.64 +/- 0.93   0.000% *  0.1355% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  23.08 +/- 1.15   0.000% *  0.1355% (0.18   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  23.92 +/- 0.59   0.000% *  0.1194% (0.16   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  21.58 +/- 1.37   0.000% *  0.0421% (0.06   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.21 +/- 1.89   0.000% *  0.0972% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  24.67 +/- 1.24   0.000% *  0.0211% (0.03   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  25.05 +/- 1.03   0.000% *  0.0152% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 3.0, residual support = 36.3:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.65 +/- 0.18 100.000% * 99.8340% (0.87   3.00  36.31) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  23.12 +/- 0.78   0.000% *  0.1660% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 2.93, residual support = 36.3:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  98.448% * 98.4487% (0.87   2.93  36.31) =  99.992%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.12 +/- 0.96   1.552% *  0.4885% (0.63   0.02   5.07) =   0.008%
          HB2   ASN   28 - HB3   ASP-  76  14.82 +/- 0.58   0.000% *  0.1038% (0.13   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HB3   ASP-  76  19.06 +/- 1.33   0.000% *  0.1498% (0.19   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  25.76 +/- 0.74   0.000% *  0.6594% (0.85   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.64 +/- 0.93   0.000% *  0.1498% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 1.0, support = 3.0, residual support = 37.6:
    * O T HB    THR   77 - HA    THR   77   2.53 +/- 0.07  99.544% * 95.5113% (1.00   3.00  37.57) =  99.998%  kept
          HA    GLU-  79 - HA    THR   77   6.39 +/- 0.07   0.385% *  0.4374% (0.69   0.02   0.02) =   0.002%
          HA    ASP-  44 - HA    THR   77   9.63 +/- 0.34   0.034% *  0.6311% (0.99   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77  10.33 +/- 0.31   0.022% *  0.6367% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  13.65 +/- 0.87   0.004% *  0.3099% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  13.07 +/- 0.35   0.005% *  0.2390% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  13.66 +/- 0.49   0.004% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  18.89 +/- 0.48   0.001% *  0.6241% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  23.89 +/- 0.27   0.000% *  0.3862% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  25.20 +/- 1.67   0.000% *  0.1965% (0.31   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  33.43 +/- 2.61   0.000% *  0.6241% (0.98   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  30.34 +/- 2.86   0.000% *  0.2618% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 37.6:
    * O T QG2   THR   77 - HA    THR   77   2.41 +/- 0.09  99.957% * 98.6696% (1.00   3.00  37.57) = 100.000%  kept
          QB    ALA   88 - HA    THR   77  10.26 +/- 0.56   0.018% *  0.5267% (0.80   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   9.99 +/- 0.70   0.024% *  0.1829% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  16.78 +/- 0.99   0.001% *  0.1015% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  23.49 +/- 0.53   0.000% *  0.2244% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  25.98 +/- 0.72   0.000% *  0.2949% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.6:
    * O T HA    THR   77 - HB    THR   77   2.53 +/- 0.07  99.872% * 99.4058% (1.00   3.00  37.57) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77   8.05 +/- 0.89   0.122% *  0.2971% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  12.89 +/- 0.41   0.006% *  0.2971% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 2.77, residual support = 37.6:
    * O T QG2   THR   77 - HB    THR   77   2.15 +/- 0.01  99.974% * 98.5587% (1.00   2.77  37.57) = 100.000%  kept
          QB    ALA   88 - HB    THR   77   8.85 +/- 0.54   0.022% *  0.5706% (0.80   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   77  11.91 +/- 0.67   0.004% *  0.1981% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  15.45 +/- 0.87   0.001% *  0.1100% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  24.85 +/- 0.48   0.000% *  0.2431% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  27.77 +/- 0.88   0.000% *  0.3195% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 37.6:
    * O T HA    THR   77 - QG2   THR   77   2.41 +/- 0.09  99.331% * 99.4058% (1.00   3.00  37.57) =  99.998%  kept
          HD2   PRO   93 - QG2   THR   77   5.75 +/- 0.59   0.648% *  0.2971% (0.45   0.02   0.02) =   0.002%
          HB2   TRP   27 - QG2   THR   77   9.95 +/- 0.40   0.021% *  0.2971% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.77, residual support = 37.6:
    * O T HB    THR   77 - QG2   THR   77   2.15 +/- 0.01  99.765% * 95.1502% (1.00   2.77  37.57) =  99.999%  kept
          HA    ASP-  44 - QG2   THR   77   6.56 +/- 0.11   0.123% *  0.6819% (0.99   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   77   7.24 +/- 0.11   0.068% *  0.4726% (0.69   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   9.97 +/- 0.30   0.010% *  0.6880% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77   9.47 +/- 0.78   0.016% *  0.3349% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77   9.38 +/- 0.38   0.015% *  0.1532% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  12.39 +/- 0.27   0.003% *  0.2582% (0.38   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  15.08 +/- 0.21   0.001% *  0.6743% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.55 +/- 0.21   0.000% *  0.4173% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.89 +/- 1.42   0.000% *  0.2123% (0.31   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  27.95 +/- 2.02   0.000% *  0.6743% (0.98   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  25.35 +/- 2.22   0.000% *  0.2828% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 1.0, support = 2.75, residual support = 35.3:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.93 +/- 0.16  98.013% * 97.8073% (1.00   2.75  35.31) =  99.989%  kept
          HB2   ASP-  76 - HA    ASP-  78   5.83 +/- 0.57   1.930% *  0.5171% (0.73   0.02   5.07) =   0.010%
          HB2   ASP-  86 - HA    ASP-  78  10.39 +/- 0.58   0.053% *  0.1409% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  16.92 +/- 0.33   0.003% *  0.3747% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.81 +/- 1.19   0.000% *  0.4607% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  22.41 +/- 1.16   0.001% *  0.2673% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  30.19 +/- 0.36   0.000% *  0.4319% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 35.3:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.70 +/- 0.17  99.875% * 98.9028% (1.00   2.31  35.31) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78   8.72 +/- 0.61   0.095% *  0.2920% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.50 +/- 1.50   0.030% *  0.3213% (0.38   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  27.09 +/- 0.45   0.000% *  0.3519% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.75 +/- 1.06   0.000% *  0.1321% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 1.0, support = 2.75, residual support = 35.3:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.93 +/- 0.16  99.327% * 98.6712% (1.00   2.75  35.31) =  99.997%  kept
          HA    LEU   80 - HB2   ASP-  78   7.02 +/- 0.45   0.589% *  0.3497% (0.49   0.02   4.96) =   0.002%
          HA    THR   23 - HB2   ASP-  78  10.12 +/- 0.63   0.065% *  0.6232% (0.87   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  12.56 +/- 0.95   0.019% *  0.2451% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  25.13 +/- 0.40   0.000% *  0.1109% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 2.31, residual support = 35.3:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.980% * 98.9034% (1.00   2.31  35.31) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   7.88 +/- 0.90   0.016% *  0.2918% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.66 +/- 1.65   0.004% *  0.3211% (0.38   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.99 +/- 0.88   0.000% *  0.3517% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  26.36 +/- 1.27   0.000% *  0.1320% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 35.3:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.70 +/- 0.17  99.763% * 98.4244% (1.00   2.31  35.31) =  99.999%  kept
          HA    LEU   80 - HB3   ASP-  78   7.75 +/- 0.38   0.203% *  0.4146% (0.49   0.02   4.96) =   0.001%
          HA    THR   23 - HB3   ASP-  78  11.00 +/- 0.63   0.026% *  0.7389% (0.87   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  13.49 +/- 0.93   0.008% *  0.2906% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  24.63 +/- 0.67   0.000% *  0.1314% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 35.3:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.758% * 97.4058% (1.00   2.31  35.31) =  99.998%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.15 +/- 0.74   0.242% *  0.6118% (0.73   0.02   5.07) =   0.002%
          HB2   ASP-  86 - HB3   ASP-  78  12.95 +/- 0.57   0.001% *  0.1667% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  17.98 +/- 0.42   0.000% *  0.4433% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  22.86 +/- 1.21   0.000% *  0.5451% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  21.07 +/- 1.17   0.000% *  0.3162% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.77 +/- 0.45   0.000% *  0.5110% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 4.16, residual support = 53.6:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.55 +/- 0.02  99.990% * 97.8451% (1.00   4.16  53.62) = 100.000%  kept
          HG3   GLU-  25 - HA    GLU-  79  13.17 +/- 0.62   0.006% *  0.2855% (0.61   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  79  14.60 +/- 1.12   0.003% *  0.4543% (0.97   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  17.54 +/- 0.72   0.001% *  0.3769% (0.80   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  21.31 +/- 0.56   0.000% *  0.4666% (0.99   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  26.18 +/- 0.57   0.000% *  0.4543% (0.97   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  28.45 +/- 3.00   0.000% *  0.1174% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 3.51, residual support = 53.6:
    * O T QG    GLU-  79 - HA    GLU-  79   2.58 +/- 0.25  99.998% * 98.5951% (1.00   3.51  53.62) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  19.68 +/- 1.21   0.001% *  0.4876% (0.87   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  20.08 +/- 0.92   0.001% *  0.1735% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  22.75 +/- 0.55   0.000% *  0.1735% (0.31   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  28.45 +/- 0.83   0.000% *  0.3183% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  27.88 +/- 0.54   0.000% *  0.2520% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.16, residual support = 53.6:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.55 +/- 0.02  99.760% * 97.2075% (1.00   4.16  53.62) =  99.999%  kept
          HB    THR   77 - HB2   GLU-  79   7.12 +/- 0.19   0.215% *  0.3212% (0.69   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLU-  79  11.59 +/- 0.55   0.012% *  0.2836% (0.61   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  12.29 +/- 0.32   0.008% *  0.3212% (0.69   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  14.82 +/- 0.73   0.003% *  0.3212% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  15.79 +/- 0.69   0.002% *  0.4424% (0.95   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  21.01 +/- 0.80   0.000% *  0.3745% (0.80   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  23.85 +/- 0.59   0.000% *  0.4635% (0.99   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  30.43 +/- 2.82   0.000% *  0.2648% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 3.3, residual support = 53.6:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.42 +/- 0.03  99.998% * 98.5072% (1.00   3.30  53.62) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  18.07 +/- 1.15   0.001% *  0.5181% (0.87   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  17.94 +/- 1.01   0.001% *  0.1844% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  20.27 +/- 0.63   0.000% *  0.1844% (0.31   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  26.08 +/- 0.85   0.000% *  0.3382% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  25.99 +/- 0.64   0.000% *  0.2678% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.51, residual support = 53.6:
    * O T HA    GLU-  79 - QG    GLU-  79   2.58 +/- 0.25  99.863% * 96.7075% (1.00   3.51  53.62) =  99.999%  kept
          HB    THR   77 - QG    GLU-  79   8.32 +/- 0.07   0.105% *  0.3788% (0.69   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  11.47 +/- 0.27   0.015% *  0.3788% (0.69   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  12.01 +/- 0.48   0.012% *  0.3344% (0.61   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  15.20 +/- 0.66   0.003% *  0.3788% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  16.27 +/- 0.59   0.002% *  0.5216% (0.95   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  19.48 +/- 0.85   0.001% *  0.4415% (0.80   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  21.51 +/- 0.64   0.000% *  0.5465% (0.99   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  26.82 +/- 2.75   0.000% *  0.3122% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 3.3, residual support = 53.6:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.42 +/- 0.03  99.963% * 97.2991% (1.00   3.30  53.62) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79   9.32 +/- 0.50   0.033% *  0.3578% (0.61   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  14.20 +/- 1.21   0.003% *  0.5694% (0.97   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  17.31 +/- 0.62   0.001% *  0.4724% (0.80   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  19.17 +/- 0.59   0.000% *  0.5848% (0.99   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  20.89 +/- 0.50   0.000% *  0.5694% (0.97   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  23.98 +/- 2.82   0.000% *  0.1471% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 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 = 5.46, residual support = 83.0:
    *   T QD1   LEU   80 - HA    LEU   80   2.56 +/- 0.48  99.975% * 98.2804% (0.65   5.46  83.03) = 100.000%  kept
          QD1   LEU   73 - HA    LEU   80  12.02 +/- 0.31   0.016% *  0.1900% (0.34   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  15.40 +/- 0.62   0.004% *  0.4652% (0.84   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HA    LEU   80  16.01 +/- 0.92   0.003% *  0.3603% (0.65   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  21.85 +/- 0.49   0.000% *  0.5141% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  19.79 +/- 0.53   0.001% *  0.1900% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.33, residual support = 83.0:
    * O   HA    LEU   80 - HB2   LEU   80   2.80 +/- 0.14  98.912% * 98.8812% (1.00   5.33  83.03) =  99.998%  kept
          HA    ASP-  78 - HB2   LEU   80   6.29 +/- 0.34   0.865% *  0.1805% (0.49   0.02   4.96) =   0.002%
          HA    THR   23 - HB2   LEU   80   8.23 +/- 0.48   0.171% *  0.2969% (0.80   0.02   0.02) =   0.001%
          HB    THR   23 - HB2   LEU   80  10.03 +/- 0.55   0.052% *  0.3579% (0.97   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  23.83 +/- 1.40   0.000% *  0.2834% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.86, residual support = 83.0:
    * O T QD1   LEU   80 - HB2   LEU   80   2.41 +/- 0.18  99.984% * 97.5857% (0.65   3.86  83.03) = 100.000%  kept
          QD1   LEU   73 - HB2   LEU   80  11.76 +/- 0.41   0.010% *  0.2667% (0.34   0.02   0.02) =   0.000%
        T QG2   VAL   41 - HB2   LEU   80  14.59 +/- 0.74   0.003% *  0.6532% (0.84   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  14.77 +/- 0.99   0.003% *  0.5059% (0.65   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  21.19 +/- 0.75   0.000% *  0.7218% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  19.10 +/- 0.78   0.001% *  0.2667% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.647, support = 5.45, residual support = 83.0:
    *   T HA    LEU   80 - QD1   LEU   80   2.56 +/- 0.48  93.320% * 98.0873% (0.65   5.46  83.03) =  99.986%  kept
          HA    ASP-  78 - QD1   LEU   80   6.34 +/- 1.12   5.856% *  0.1750% (0.31   0.02   4.96) =   0.011%
          HA    THR   23 - QD1   LEU   80   6.72 +/- 0.37   0.541% *  0.2879% (0.52   0.02   0.02) =   0.002%
          HB    THR   23 - QD1   LEU   80   7.89 +/- 0.42   0.138% *  0.3470% (0.62   0.02   0.02) =   0.001%
          HA    ASP- 105 - QD2   LEU   98   8.55 +/- 0.59   0.127% *  0.1575% (0.28   0.02   4.76) =   0.000%
          HA    THR   23 - QD2   LEU   98  13.72 +/- 0.90   0.007% *  0.1650% (0.30   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  14.27 +/- 0.86   0.006% *  0.1989% (0.36   0.02   0.02) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  16.01 +/- 0.92   0.003% *  0.2061% (0.37   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  20.93 +/- 1.85   0.001% *  0.2748% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  16.59 +/- 0.78   0.002% *  0.1003% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 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 = 4.97, residual support = 108.3:
    * O T QB    LYS+  81 - HA    LYS+  81   2.51 +/- 0.04  99.930% * 96.6148% (1.00   4.97 108.32) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   9.38 +/- 0.70   0.042% *  0.3850% (0.99   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  11.89 +/- 2.95   0.025% *  0.0969% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  19.68 +/- 1.31   0.000% *  0.3876% (1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  19.57 +/- 0.95   0.000% *  0.3369% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  20.24 +/- 0.92   0.000% *  0.2821% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  22.63 +/- 0.52   0.000% *  0.3749% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  20.40 +/- 0.37   0.000% *  0.1458% (0.38   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  18.52 +/- 1.16   0.001% *  0.0599% (0.15   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  25.12 +/- 0.83   0.000% *  0.3483% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  25.33 +/- 1.27   0.000% *  0.3244% (0.84   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  33.30 +/- 0.65   0.000% *  0.3110% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  31.62 +/- 1.22   0.000% *  0.2199% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  26.06 +/- 0.79   0.000% *  0.0526% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  33.15 +/- 0.99   0.000% *  0.0599% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 108.3:
    * O T QG    LYS+  81 - HA    LYS+  81   2.08 +/- 0.15  99.999% * 99.1326% (1.00   5.14 108.32) = 100.000%  kept
          HD3   LYS+  74 - HA    LYS+  81  15.03 +/- 0.73   0.001% *  0.0859% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HA    LYS+  81  24.26 +/- 1.52   0.000% *  0.3826% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  25.50 +/- 0.86   0.000% *  0.3224% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  22.48 +/- 1.16   0.000% *  0.0764% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 108.3:
    *   T QD    LYS+  81 - HA    LYS+  81   3.63 +/- 0.49  99.987% * 98.6028% (1.00   3.44 108.32) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  17.28 +/- 0.93   0.012% *  0.5682% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  28.87 +/- 1.09   0.001% *  0.5720% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  25.96 +/- 0.64   0.001% *  0.2570% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 108.3:
    *   T QE    LYS+  81 - HA    LYS+  81   3.35 +/- 0.48  99.890% * 99.8983% (1.00   3.44 108.32) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  11.54 +/- 1.53   0.110% *  0.1017% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.97, residual support = 108.3:
    * O T HA    LYS+  81 - QB    LYS+  81   2.51 +/- 0.04  99.828% * 98.6830% (1.00   4.97 108.32) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.33 +/- 0.07   0.163% *  0.0294% (0.07   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  18.77 +/- 1.32   0.001% *  0.2567% (0.65   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  17.26 +/- 0.43   0.001% *  0.0695% (0.18   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.50 +/- 0.63   0.007% *  0.0070% (0.02   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  18.52 +/- 1.16   0.001% *  0.0455% (0.11   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  27.91 +/- 0.52   0.000% *  0.3889% (0.98   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  24.36 +/- 1.19   0.000% *  0.0612% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  35.29 +/- 1.11   0.000% *  0.3032% (0.76   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  25.69 +/- 0.65   0.000% *  0.0348% (0.09   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  29.19 +/- 1.02   0.000% *  0.0612% (0.15   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  22.08 +/- 0.49   0.000% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  33.64 +/- 0.84   0.000% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.48 +/- 0.76   0.000% *  0.0080% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 108.3:
    * O T QG    LYS+  81 - QB    LYS+  81   2.09 +/- 0.02  99.987% * 98.9966% (1.00   5.17 108.32) = 100.000%  kept
          HD3   LYS+  74 - QB    LYS+  81  14.40 +/- 1.04   0.001% *  0.0853% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  10.12 +/- 0.67   0.009% *  0.0087% (0.02   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  16.04 +/- 1.38   0.001% *  0.0439% (0.11   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  12.69 +/- 0.65   0.002% *  0.0098% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  81  23.79 +/- 1.37   0.000% *  0.3797% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  23.38 +/- 0.80   0.000% *  0.3200% (0.84   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  19.42 +/- 0.93   0.000% *  0.0436% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  22.14 +/- 1.19   0.000% *  0.0758% (0.20   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  28.99 +/- 1.33   0.000% *  0.0367% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 3.74, residual support = 108.3:
    * O T QD    LYS+  81 - QB    LYS+  81   2.13 +/- 0.15  99.998% * 98.5099% (1.00   3.74 108.32) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  17.16 +/- 0.95   0.000% *  0.5216% (0.99   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  16.81 +/- 1.69   0.001% *  0.0604% (0.11   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  16.52 +/- 0.83   0.001% *  0.0598% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.65 +/- 0.93   0.000% *  0.2359% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  27.41 +/- 1.07   0.000% *  0.5251% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.83 +/- 0.72   0.000% *  0.0602% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  23.00 +/- 0.94   0.000% *  0.0271% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 3.74, residual support = 108.3:
    *     QE    LYS+  81 - QB    LYS+  81   2.82 +/- 0.51  99.808% * 99.8347% (1.00   3.74 108.32) = 100.000%  kept
          HB3   TRP   49 - QB    LYS+  81  10.52 +/- 1.68   0.160% *  0.0934% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  16.03 +/- 1.56   0.007% *  0.0612% (0.11   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52  12.51 +/- 0.97   0.025% *  0.0107% (0.02   0.02   0.02) =   0.000%
    Distance limit 5.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 108.3:
    * O T HA    LYS+  81 - QG    LYS+  81   2.08 +/- 0.15  99.944% * 97.8722% (1.00   5.14 108.32) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.63 +/- 0.58   0.031% *  0.1789% (0.47   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   8.91 +/- 0.42   0.018% *  0.0320% (0.08   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  16.79 +/- 1.13   0.000% *  0.2466% (0.65   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  11.00 +/- 0.87   0.005% *  0.0129% (0.03   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  17.20 +/- 0.34   0.000% *  0.0667% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  18.68 +/- 1.04   0.000% *  0.0641% (0.17   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  21.53 +/- 1.03   0.000% *  0.0822% (0.22   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  27.74 +/- 0.40   0.000% *  0.3736% (0.98   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  25.50 +/- 0.86   0.000% *  0.1825% (0.48   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  19.22 +/- 1.35   0.000% *  0.0282% (0.07   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  21.96 +/- 0.60   0.000% *  0.0542% (0.14   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  22.66 +/- 1.25   0.000% *  0.0588% (0.15   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  24.26 +/- 1.52   0.000% *  0.0839% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  25.82 +/- 1.15   0.000% *  0.1180% (0.31   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  27.10 +/- 1.62   0.000% *  0.1395% (0.37   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  18.66 +/- 1.03   0.000% *  0.0147% (0.04   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  33.74 +/- 1.10   0.000% *  0.2913% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.69 +/- 0.56   0.000% *  0.0129% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  27.71 +/- 0.86   0.000% *  0.0588% (0.15   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  24.57 +/- 1.62   0.000% *  0.0282% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.809, support = 5.3, residual support = 121.7:
    * O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.02  44.553% * 55.9127% (1.00   5.17 108.32) =  68.351%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.25 +/- 0.10  29.511% * 28.4825% (0.46   5.70 157.63) =  23.063%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.31 +/- 0.12  25.236% * 12.3980% (0.22   5.22 131.31) =   8.585%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.05 +/- 0.94   0.408% *  0.0398% (0.18   0.02   0.11) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.52 +/- 0.77   0.182% *  0.0389% (0.18   0.02   0.10) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.28 +/- 1.34   0.022% *  0.2144% (0.99   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.18 +/- 0.39   0.075% *  0.0427% (0.20   0.02  20.35) =   0.000%
          HB2   MET   92 - QG    LYS+  81  11.16 +/- 2.63   0.006% *  0.0539% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.84 +/- 1.39   0.002% *  0.0586% (0.27   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  16.29 +/- 1.14   0.000% *  0.1877% (0.87   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  18.47 +/- 1.21   0.000% *  0.2159% (1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  17.80 +/- 1.17   0.000% *  0.1571% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.20 +/- 1.18   0.000% *  0.0829% (0.38   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.58 +/- 1.45   0.000% *  0.1034% (0.48   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  20.53 +/- 0.41   0.000% *  0.2088% (0.97   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  16.04 +/- 1.38   0.000% *  0.0334% (0.15   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.71 +/- 0.69   0.000% *  0.0346% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.19 +/- 1.60   0.000% *  0.0929% (0.43   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.13 +/- 1.59   0.000% *  0.0865% (0.40   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  18.51 +/- 0.31   0.000% *  0.0812% (0.38   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  23.05 +/- 0.84   0.000% *  0.1940% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  23.78 +/- 1.12   0.000% *  0.1807% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  17.60 +/- 1.33   0.000% *  0.0270% (0.12   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.18 +/- 0.35   0.000% *  0.0119% (0.05   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.18 +/- 0.82   0.000% *  0.0459% (0.21   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  23.38 +/- 0.80   0.000% *  0.1036% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  22.45 +/- 0.58   0.000% *  0.0472% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  19.37 +/- 0.81   0.000% *  0.0179% (0.08   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.10 +/- 1.37   0.000% *  0.0752% (0.35   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  23.79 +/- 1.37   0.000% *  0.0476% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  22.84 +/- 0.45   0.000% *  0.0381% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  29.50 +/- 0.68   0.000% *  0.1732% (0.80   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.11 +/- 1.11   0.000% *  0.0899% (0.42   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.62 +/- 1.05   0.000% *  0.0293% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  18.04 +/- 0.93   0.000% *  0.0073% (0.03   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  23.98 +/- 0.64   0.000% *  0.0413% (0.19   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  28.98 +/- 1.11   0.000% *  0.1225% (0.57   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.79 +/- 1.03   0.000% *  0.1027% (0.47   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  19.42 +/- 0.93   0.000% *  0.0073% (0.03   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  25.16 +/- 2.21   0.000% *  0.0258% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.40 +/- 0.72   0.000% *  0.0064% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  25.08 +/- 1.74   0.000% *  0.0160% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.22 +/- 1.28   0.000% *  0.0140% (0.06   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  29.48 +/- 1.13   0.000% *  0.0334% (0.15   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  28.99 +/- 1.33   0.000% *  0.0160% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 108.3:
    * O T QD    LYS+  81 - QG    LYS+  81   2.06 +/- 0.01  99.985% * 97.6373% (1.00   4.00 108.32) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106  10.31 +/- 0.52   0.007% *  0.1065% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.34 +/- 0.52   0.004% *  0.1072% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.60 +/- 1.64   0.001% *  0.2332% (0.48   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  16.10 +/- 0.88   0.000% *  0.4839% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  13.20 +/- 1.59   0.002% *  0.1048% (0.21   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  14.63 +/- 1.34   0.001% *  0.2317% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  22.54 +/- 0.68   0.000% *  0.2189% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  26.54 +/- 1.01   0.000% *  0.4871% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  24.60 +/- 0.85   0.000% *  0.2338% (0.48   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  24.40 +/- 1.37   0.000% *  0.1074% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  24.30 +/- 0.51   0.000% *  0.0482% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 108.3:
    * O   QE    LYS+  81 - QG    LYS+  81   2.13 +/- 0.13  99.954% * 99.5043% (1.00   4.00 108.32) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81   8.71 +/- 1.46   0.046% *  0.0871% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  24.72 +/- 1.44   0.000% *  0.2382% (0.48   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  23.48 +/- 1.27   0.000% *  0.1095% (0.22   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  28.58 +/- 1.06   0.000% *  0.0417% (0.08   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  26.85 +/- 0.32   0.000% *  0.0192% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 108.3:
    *   T HA    LYS+  81 - QD    LYS+  81   3.63 +/- 0.49  99.979% * 98.3559% (1.00   3.44 108.32) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  17.53 +/- 1.49   0.011% *  0.3699% (0.65   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  18.86 +/- 0.47   0.006% *  0.1001% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  29.41 +/- 0.51   0.000% *  0.5605% (0.98   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  24.08 +/- 1.40   0.002% *  0.0882% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  35.26 +/- 1.24   0.000% *  0.4370% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  29.09 +/- 1.14   0.000% *  0.0882% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 108.3:
    * O T QB    LYS+  81 - QD    LYS+  81   2.13 +/- 0.15  99.924% * 95.5514% (1.00   3.74 108.32) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81   8.74 +/- 1.63   0.067% *  0.5059% (0.99   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  12.56 +/- 2.36   0.007% *  0.1273% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  16.84 +/- 1.41   0.001% *  0.4428% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  18.94 +/- 1.47   0.000% *  0.3707% (0.73   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  20.00 +/- 1.18   0.000% *  0.5093% (1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  16.81 +/- 1.69   0.001% *  0.0788% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  21.94 +/- 0.63   0.000% *  0.4926% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  20.12 +/- 0.59   0.000% *  0.1916% (0.38   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  24.74 +/- 0.96   0.000% *  0.4578% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  25.56 +/- 1.16   0.000% *  0.4264% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  30.95 +/- 0.96   0.000% *  0.4087% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  23.66 +/- 1.35   0.000% *  0.0691% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  30.72 +/- 1.24   0.000% *  0.2890% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  30.88 +/- 1.36   0.000% *  0.0788% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 108.3:
    * O T QG    LYS+  81 - QD    LYS+  81   2.06 +/- 0.01  99.999% * 98.8889% (1.00   4.00 108.32) = 100.000%  kept
          HD3   LYS+  74 - QD    LYS+  81  14.16 +/- 1.00   0.001% *  0.1101% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QD    LYS+  81  24.40 +/- 1.37   0.000% *  0.4901% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  24.60 +/- 0.85   0.000% *  0.4130% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  21.77 +/- 1.49   0.000% *  0.0979% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 108.3:
    * O   QE    LYS+  81 - QD    LYS+  81   2.10 +/- 0.03  99.937% * 99.8834% (1.00   3.00 108.32) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81   8.46 +/- 1.74   0.063% *  0.1166% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 108.3:
    *   T HA    LYS+  81 - QE    LYS+  81   3.35 +/- 0.48  99.985% * 98.3559% (1.00   3.44 108.32) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  17.19 +/- 1.25   0.008% *  0.3699% (0.65   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  18.81 +/- 1.18   0.005% *  0.1001% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  29.31 +/- 1.17   0.000% *  0.5605% (0.98   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  23.25 +/- 1.23   0.001% *  0.0882% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  34.63 +/- 1.14   0.000% *  0.4370% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  28.82 +/- 1.08   0.000% *  0.0882% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.8:
    * O T HB2   SER   82 - HA    SER   82   2.68 +/- 0.12  99.504% * 94.1983% (0.95   2.96  34.85) =  99.999%  kept
          HA    GLU-  29 - HA    GLU-  25   6.86 +/- 0.18   0.368% *  0.1892% (0.28   0.02   0.02) =   0.001%
          HA    ALA   88 - HA    SER   82   8.71 +/- 0.37   0.090% *  0.5147% (0.76   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.31 +/- 0.26   0.018% *  0.1584% (0.24   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  15.81 +/- 1.50   0.003% *  0.6371% (0.95   0.02   0.02) =   0.000%
        T HB2   SER   82 - HA    GLU-  25  13.58 +/- 0.69   0.006% *  0.2064% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.69 +/- 0.34   0.006% *  0.1584% (0.24   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  17.11 +/- 0.25   0.002% *  0.1957% (0.29   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.88 +/- 1.16   0.001% *  0.3543% (0.53   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  18.62 +/- 0.74   0.001% *  0.2064% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  22.30 +/- 0.51   0.000% *  0.5842% (0.87   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  25.60 +/- 0.39   0.000% *  0.6040% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  21.04 +/- 0.82   0.000% *  0.1667% (0.25   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  25.72 +/- 0.82   0.000% *  0.4891% (0.73   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  19.55 +/- 0.30   0.001% *  0.0897% (0.13   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  28.47 +/- 0.53   0.000% *  0.4891% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  24.65 +/- 0.73   0.000% *  0.1148% (0.17   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  30.68 +/- 0.51   0.000% *  0.2769% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  33.01 +/- 0.86   0.000% *  0.2769% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  30.64 +/- 0.45   0.000% *  0.0897% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.8:
    * O T HB3   SER   82 - HA    SER   82   3.00 +/- 0.04  99.861% * 93.7438% (1.00   2.00  34.85) =  99.999%  kept
          HA    ILE   89 - HA    SER   82  10.93 +/- 0.14   0.043% *  0.6439% (0.69   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25  10.11 +/- 0.16   0.069% *  0.1719% (0.18   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    GLU-  25  12.86 +/- 0.57   0.017% *  0.3037% (0.32   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  20.72 +/- 1.31   0.001% *  0.6064% (0.65   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  18.11 +/- 0.96   0.002% *  0.2536% (0.27   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.60 +/- 0.56   0.003% *  0.2086% (0.22   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  21.81 +/- 2.80   0.001% *  0.2634% (0.28   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  19.65 +/- 1.18   0.001% *  0.2086% (0.22   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  20.33 +/- 0.92   0.001% *  0.1855% (0.20   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  24.37 +/- 0.29   0.000% *  0.5307% (0.57   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  31.94 +/- 2.63   0.000% *  0.8132% (0.87   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  30.91 +/- 1.20   0.000% *  0.7830% (0.84   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  31.38 +/- 0.61   0.000% *  0.6439% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.24 +/- 0.77   0.000% *  0.1964% (0.21   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  22.25 +/- 0.62   0.001% *  0.0601% (0.06   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  29.80 +/- 0.94   0.000% *  0.2893% (0.31   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  26.40 +/- 0.56   0.000% *  0.0937% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.8:
    * O T HA    SER   82 - HB2   SER   82   2.68 +/- 0.12  99.887% * 97.6118% (0.95   2.96  34.85) = 100.000%  kept
          HA    CYS   53 - HA    SER   48   9.42 +/- 0.88   0.069% *  0.0635% (0.09   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB2   SER   82  13.58 +/- 0.69   0.007% *  0.4004% (0.57   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.21 +/- 0.38   0.020% *  0.0860% (0.12   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  15.81 +/- 1.50   0.003% *  0.3625% (0.52   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  14.81 +/- 0.72   0.004% *  0.1360% (0.19   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.20 +/- 0.20   0.007% *  0.0637% (0.09   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  18.62 +/- 0.74   0.001% *  0.2199% (0.32   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  19.55 +/- 0.30   0.001% *  0.1390% (0.20   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  18.91 +/- 0.74   0.001% *  0.1008% (0.14   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  22.79 +/- 0.73   0.000% *  0.2478% (0.36   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  22.26 +/- 0.77   0.000% *  0.1156% (0.17   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  21.03 +/- 0.45   0.000% *  0.0401% (0.06   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  30.68 +/- 0.51   0.000% *  0.2292% (0.33   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  31.70 +/- 0.67   0.000% *  0.1836% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 2.37, residual support = 34.8:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.684% * 92.2195% (0.95   2.37  34.85) =  99.999%  kept
          HB    THR   39 - HA    VAL   70   4.87 +/- 0.46   0.253% *  0.2259% (0.27   0.02   0.02) =   0.001%
          HB2   CYS   53 - HA    SER   48   6.97 +/- 0.90   0.040% *  0.0846% (0.10   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   7.58 +/- 0.57   0.017% *  0.1857% (0.23   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48  10.22 +/- 0.41   0.003% *  0.2766% (0.34   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.38 +/- 0.20   0.001% *  0.5349% (0.65   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  11.21 +/- 0.27   0.001% *  0.1531% (0.19   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  13.06 +/- 1.30   0.001% *  0.2345% (0.28   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  13.17 +/- 0.75   0.001% *  0.2937% (0.36   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  15.99 +/- 1.36   0.000% *  0.4276% (0.52   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.86 +/- 0.56   0.000% *  0.0835% (0.10   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  22.00 +/- 1.26   0.000% *  0.5038% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  23.43 +/- 2.76   0.000% *  0.3709% (0.45   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  22.61 +/- 0.57   0.000% *  0.4409% (0.54   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  21.10 +/- 0.56   0.000% *  0.2421% (0.29   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  20.97 +/- 0.93   0.000% *  0.1541% (0.19   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  21.07 +/- 0.57   0.000% *  0.1320% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  25.52 +/- 1.07   0.000% *  0.3571% (0.43   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  30.76 +/- 2.70   0.000% *  0.6755% (0.82   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  29.46 +/- 1.45   0.000% *  0.6505% (0.79   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  26.94 +/- 0.81   0.000% *  0.2937% (0.36   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  29.76 +/- 0.77   0.000% *  0.5349% (0.65   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  21.43 +/- 0.86   0.000% *  0.0535% (0.07   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  28.71 +/- 0.69   0.000% *  0.2704% (0.33   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  26.92 +/- 0.51   0.000% *  0.1749% (0.21   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  27.71 +/- 0.69   0.000% *  0.1857% (0.23   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  29.80 +/- 1.06   0.000% *  0.2404% (0.29   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.8:
    * O T HA    SER   82 - HB3   SER   82   3.00 +/- 0.04  99.982% * 98.5853% (1.00   2.00  34.85) = 100.000%  kept
        T HA    GLU-  25 - HB3   SER   82  12.86 +/- 0.57   0.017% *  0.5980% (0.61   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  22.18 +/- 0.45   0.001% *  0.3700% (0.38   0.02   0.02) =   0.000%
        T HA    CYS   53 - HB3   SER   82  21.75 +/- 0.74   0.001% *  0.1727% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  31.06 +/- 0.60   0.000% *  0.2741% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 2.37, residual support = 34.8:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.998% * 94.6955% (0.95   2.37  34.85) = 100.000%  kept
          HA    ALA   88 - HB3   SER   82  10.68 +/- 0.34   0.002% *  0.6460% (0.76   0.02   0.02) =   0.000%
        T HA    SER   48 - HB3   SER   82  15.99 +/- 1.36   0.000% *  0.7996% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  19.57 +/- 0.56   0.000% *  0.7333% (0.87   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  20.64 +/- 1.10   0.000% *  0.4447% (0.53   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  23.05 +/- 0.91   0.000% *  0.6138% (0.73   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  24.05 +/- 0.48   0.000% *  0.7581% (0.90   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  25.86 +/- 0.60   0.000% *  0.6138% (0.73   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  28.71 +/- 0.69   0.000% *  0.3475% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  32.57 +/- 1.01   0.000% *  0.3475% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.4:
    * O T HB    VAL   83 - HA    VAL   83   2.99 +/- 0.12  99.994% * 97.0068% (0.90   3.97  87.42) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  18.15 +/- 0.80   0.002% *  0.4166% (0.76   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  20.36 +/- 0.37   0.001% *  0.2444% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  18.48 +/- 0.58   0.002% *  0.1214% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  25.00 +/- 1.75   0.000% *  0.2241% (0.41   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  25.10 +/- 1.64   0.000% *  0.2046% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  29.12 +/- 0.59   0.000% *  0.5157% (0.95   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  28.36 +/- 1.11   0.000% *  0.4166% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  30.69 +/- 1.26   0.000% *  0.5261% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  24.66 +/- 0.66   0.000% *  0.1079% (0.20   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  35.94 +/- 1.00   0.000% *  0.1079% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  37.26 +/- 0.94   0.000% *  0.1079% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 4.23, residual support = 87.4:
    * O T QG1   VAL   83 - HA    VAL   83   2.39 +/- 0.05  99.702% * 98.0747% (0.87   4.23  87.42) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   6.90 +/- 0.46   0.188% *  0.4280% (0.80   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    VAL   83   7.50 +/- 0.32   0.108% *  0.1333% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83  15.35 +/- 0.53   0.001% *  0.2198% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  24.39 +/- 1.22   0.000% *  0.5159% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  23.82 +/- 0.95   0.000% *  0.4085% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  21.90 +/- 0.76   0.000% *  0.2198% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 4.43, residual support = 87.4:
    * O T QG2   VAL   83 - HA    VAL   83   2.50 +/- 0.18  99.790% * 99.2718% (1.00   4.43  87.42) =  99.999%  kept
          QD1   ILE   89 - HA    VAL   83   7.14 +/- 0.44   0.208% *  0.4024% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    VAL   83  15.56 +/- 0.69   0.002% *  0.3258% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.4:
    * O T HA    VAL   83 - HB    VAL   83   2.99 +/- 0.12  99.997% * 98.6893% (0.90   3.97  87.42) = 100.000%  kept
          HB2   CYS   53 - HB    VAL   83  18.16 +/- 0.73   0.002% *  0.2230% (0.40   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  24.28 +/- 0.74   0.000% *  0.4930% (0.89   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB    VAL   83  25.99 +/- 1.33   0.000% *  0.4963% (0.89   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  26.19 +/- 1.31   0.000% *  0.0984% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 4.28, residual support = 87.4:
    * O T QG1   VAL   83 - HB    VAL   83   2.13 +/- 0.01  99.164% * 98.0970% (0.78   4.28  87.42) =  99.997%  kept
          QD2   LEU   80 - HB    VAL   83   5.01 +/- 0.56   0.706% *  0.4231% (0.72   0.02   0.02) =   0.003%
          QG2   ILE   89 - HB    VAL   83   6.54 +/- 0.41   0.127% *  0.1318% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83  12.94 +/- 0.62   0.002% *  0.2172% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  22.33 +/- 1.21   0.000% *  0.5099% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  19.82 +/- 0.90   0.000% *  0.2172% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  22.05 +/- 1.06   0.000% *  0.4038% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.48, residual support = 87.4:
    * O T QG2   VAL   83 - HB    VAL   83   2.14 +/- 0.00  99.888% * 99.2813% (0.90   4.48  87.42) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   6.76 +/- 0.52   0.110% *  0.3971% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83  13.24 +/- 0.69   0.002% *  0.3215% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 4.23, residual support = 87.4:
    * O T HA    VAL   83 - QG1   VAL   83   2.39 +/- 0.05  99.999% * 98.7694% (0.87   4.23  87.42) = 100.000%  kept
          HB2   CYS   53 - QG1   VAL   83  17.01 +/- 0.48   0.001% *  0.2094% (0.39   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG1   VAL   83  21.84 +/- 1.35   0.000% *  0.4659% (0.87   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  22.02 +/- 0.47   0.000% *  0.4628% (0.86   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  22.03 +/- 1.33   0.000% *  0.0924% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 4.28, residual support = 87.4:
    * O T HB    VAL   83 - QG1   VAL   83   2.13 +/- 0.01  99.997% * 97.2191% (0.78   4.28  87.42) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  14.36 +/- 0.69   0.001% *  0.3871% (0.66   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  16.89 +/- 0.40   0.000% *  0.2271% (0.39   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  15.88 +/- 0.51   0.001% *  0.1128% (0.19   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  19.71 +/- 1.60   0.000% *  0.1901% (0.33   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  21.92 +/- 1.04   0.000% *  0.3871% (0.66   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  23.45 +/- 0.52   0.000% *  0.4791% (0.82   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  21.32 +/- 1.64   0.000% *  0.2082% (0.36   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  18.68 +/- 0.60   0.000% *  0.1002% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  24.93 +/- 1.26   0.000% *  0.4888% (0.84   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  29.31 +/- 1.00   0.000% *  0.1002% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  30.37 +/- 0.94   0.000% *  0.1002% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 4.77, residual support = 87.4:
    * O T QG2   VAL   83 - QG1   VAL   83   2.11 +/- 0.01  99.913% * 99.3236% (0.87   4.77  87.42) = 100.000%  kept
        T QD1   ILE   89 - QG1   VAL   83   6.95 +/- 0.43   0.083% *  0.3737% (0.78   0.02   0.02) =   0.000%
          QD2   LEU   31 - QG1   VAL   83  11.35 +/- 0.64   0.004% *  0.3026% (0.63   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 62.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 87.4:
    * O T HA    VAL   83 - QG2   VAL   83   2.50 +/- 0.18  99.997% * 98.8231% (1.00   4.43  87.42) = 100.000%  kept
          HB2   CYS   53 - QG2   VAL   83  15.64 +/- 0.57   0.002% *  0.2002% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  20.61 +/- 0.66   0.000% *  0.4427% (0.99   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG2   VAL   83  21.30 +/- 1.14   0.000% *  0.4456% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  21.69 +/- 1.24   0.000% *  0.0884% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 62.25 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.48, residual support = 87.4:
    * O T HB    VAL   83 - QG2   VAL   83   2.14 +/- 0.00  99.995% * 97.3420% (0.90   4.48  87.42) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83  13.56 +/- 0.83   0.002% *  0.3700% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  13.99 +/- 0.74   0.001% *  0.1078% (0.22   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  15.87 +/- 0.51   0.001% *  0.2170% (0.45   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.98 +/- 1.76   0.000% *  0.1990% (0.41   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  18.72 +/- 1.33   0.000% *  0.1817% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  21.62 +/- 0.91   0.000% *  0.3700% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  22.80 +/- 0.64   0.000% *  0.4579% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  23.25 +/- 1.26   0.000% *  0.4672% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  19.02 +/- 0.56   0.000% *  0.0958% (0.20   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  27.74 +/- 1.04   0.000% *  0.0958% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  28.86 +/- 0.98   0.000% *  0.0958% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.77, residual support = 87.4:
    * O T QG1   VAL   83 - QG2   VAL   83   2.11 +/- 0.01  99.049% * 98.2877% (0.87   4.77  87.42) =  99.998%  kept
          QD2   LEU   80 - QG2   VAL   83   5.52 +/- 0.54   0.422% *  0.3807% (0.80   0.02   0.02) =   0.002%
        T QG2   ILE   89 - QG2   VAL   83   5.19 +/- 0.50   0.523% *  0.1185% (0.25   0.02   0.02) =   0.001%
          QD1   LEU   73 - QG2   VAL   83  11.23 +/- 0.56   0.005% *  0.1955% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  18.28 +/- 1.07   0.000% *  0.4588% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  18.23 +/- 1.01   0.000% *  0.3633% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  16.49 +/- 0.82   0.000% *  0.1955% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.6, residual support = 17.0:
    * O T QB    ALA   84 - HA    ALA   84   2.14 +/- 0.02  99.833% * 93.6976% (0.93   2.60  16.96) =  99.999%  kept
          HB3   LEU   80 - HA    ALA   84   6.42 +/- 0.62   0.164% *  0.5423% (0.70   0.02   0.14) =   0.001%
          HB3   PRO   93 - HA    ALA   84  14.79 +/- 0.42   0.001% *  0.7065% (0.91   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  17.06 +/- 0.67   0.000% *  0.6894% (0.89   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  20.63 +/- 1.31   0.000% *  0.7452% (0.96   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  16.86 +/- 0.80   0.000% *  0.1663% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  19.65 +/- 0.80   0.000% *  0.4228% (0.55   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  19.36 +/- 1.32   0.000% *  0.3635% (0.47   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  23.65 +/- 0.36   0.000% *  0.6238% (0.81   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  21.51 +/- 1.17   0.000% *  0.3070% (0.40   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  23.38 +/- 1.09   0.000% *  0.2305% (0.30   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  21.38 +/- 0.45   0.000% *  0.1308% (0.17   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  29.80 +/- 1.05   0.000% *  0.7402% (0.96   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  27.53 +/- 1.21   0.000% *  0.1862% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  28.19 +/- 0.50   0.000% *  0.1862% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  28.17 +/- 1.02   0.000% *  0.1308% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  30.26 +/- 0.76   0.000% *  0.1308% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 2.6, residual support = 17.0:
    * O T HA    ALA   84 - QB    ALA   84   2.14 +/- 0.02  99.986% * 97.0519% (0.93   2.60  16.96) = 100.000%  kept
          HB2   TRP   49 - QB    ALA   84   9.97 +/- 0.77   0.011% *  0.7718% (0.96   0.02   0.02) =   0.000%
          HA2   GLY  109 - QB    ALA   84  12.76 +/- 0.85   0.002% *  0.6461% (0.81   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  22.00 +/- 0.74   0.000% *  0.7718% (0.96   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  21.92 +/- 0.59   0.000% *  0.7582% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.999, support = 1.93, residual support = 16.0:
    * O T QB    SER   85 - HA    SER   85   2.37 +/- 0.09  80.784% * 94.1228% (1.00   1.93  16.04) =  99.932%  kept
          HA    ALA   88 - HA    SER   85   3.08 +/- 0.33  19.204% *  0.2708% (0.28   0.02   0.02) =   0.068%
        T QB    SER   48 - HA    SER   85  11.79 +/- 1.42   0.008% *  0.5907% (0.61   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  16.28 +/- 0.94   0.001% *  0.4740% (0.49   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85  16.28 +/- 0.67   0.001% *  0.4740% (0.49   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  14.75 +/- 1.19   0.002% *  0.1318% (0.14   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  18.00 +/- 1.01   0.000% *  0.3322% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  32.06 +/- 0.44   0.000% *  0.9652% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  33.84 +/- 0.42   0.000% *  0.9738% (1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  28.23 +/- 0.67   0.000% *  0.3006% (0.31   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  34.92 +/- 0.63   0.000% *  0.8134% (0.84   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  27.58 +/- 0.81   0.000% *  0.1503% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  34.44 +/- 0.58   0.000% *  0.4004% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 1.0, support = 1.93, residual support = 16.0:
    * O T HA    SER   85 - QB    SER   85   2.37 +/- 0.09  95.662% * 90.4081% (1.00   1.93  16.04) =  99.984%  kept
          HA    ASP-  86 - QB    SER   85   4.18 +/- 0.20   3.567% *  0.3511% (0.38   0.02  13.31) =   0.014%
          HA    GLU-  79 - QB    SER   48   5.90 +/- 0.72   0.576% *  0.1567% (0.17   0.02   0.02) =   0.001%
          HB    THR   77 - QB    SER   48   7.72 +/- 0.52   0.091% *  0.2281% (0.24   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   9.65 +/- 0.43   0.022% *  0.9354% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85   9.46 +/- 0.37   0.024% *  0.6425% (0.69   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   9.51 +/- 0.47   0.025% *  0.1110% (0.12   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  11.79 +/- 1.42   0.010% *  0.2281% (0.24   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.25 +/- 0.43   0.005% *  0.2261% (0.24   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  18.39 +/- 0.41   0.000% *  0.9271% (0.99   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.63 +/- 0.83   0.008% *  0.0508% (0.05   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  16.93 +/- 1.16   0.001% *  0.4553% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  14.11 +/- 0.37   0.002% *  0.1431% (0.15   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  14.20 +/- 0.58   0.002% *  0.1415% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  15.60 +/- 1.38   0.001% *  0.0856% (0.09   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  25.03 +/- 0.78   0.000% *  0.9169% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.81 +/- 0.34   0.002% *  0.0321% (0.03   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  21.12 +/- 0.53   0.000% *  0.2083% (0.22   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.31 +/- 0.58   0.000% *  0.1443% (0.15   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  22.74 +/- 0.38   0.000% *  0.2236% (0.24   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  19.80 +/- 0.74   0.000% *  0.0875% (0.09   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.94 +/- 0.58   0.000% *  0.0703% (0.08   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  30.16 +/- 0.52   0.000% *  0.5674% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  22.01 +/- 1.81   0.000% *  0.0704% (0.08   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  25.14 +/- 0.68   0.000% *  0.1383% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  28.99 +/- 2.74   0.000% *  0.2236% (0.24   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  26.15 +/- 2.79   0.000% *  0.0938% (0.10   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  37.47 +/- 2.77   0.000% *  0.9169% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  30.80 +/- 1.53   0.000% *  0.2887% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  25.81 +/- 0.49   0.000% *  0.0991% (0.11   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  27.58 +/- 0.81   0.000% *  0.1443% (0.15   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  34.80 +/- 2.96   0.000% *  0.3846% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  26.78 +/- 0.95   0.000% *  0.0445% (0.05   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  33.60 +/- 1.70   0.000% *  0.1415% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  29.09 +/- 1.11   0.000% *  0.0542% (0.06   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  31.52 +/- 1.19   0.000% *  0.0593% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 3.37, residual support = 41.0:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.01 +/- 0.04  99.987% * 97.9950% (1.00   3.37  40.96) = 100.000%  kept
          HB2   ASP-  78 - HA    ASP-  86  13.66 +/- 0.65   0.012% *  0.1152% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  86  21.45 +/- 0.77   0.001% *  0.4662% (0.80   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  29.10 +/- 1.10   0.000% *  0.4863% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  29.13 +/- 1.20   0.000% *  0.3999% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  31.60 +/- 1.03   0.000% *  0.5374% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 2.0, residual support = 41.0:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.68 +/- 0.12  99.997% * 96.7367% (1.00   2.00  40.96) = 100.000%  kept
          HB3   PHE   45 - HA    ASP-  86  16.34 +/- 0.38   0.002% *  0.4709% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  25.87 +/- 0.74   0.000% *  0.9336% (0.97   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  23.30 +/- 0.95   0.000% *  0.3300% (0.34   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  25.28 +/- 1.27   0.000% *  0.4709% (0.49   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  24.27 +/- 1.04   0.000% *  0.1493% (0.15   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  33.30 +/- 0.33   0.000% *  0.7393% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  33.89 +/- 0.85   0.000% *  0.1694% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 1.0, support = 3.37, residual support = 41.0:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.01 +/- 0.04  97.985% * 97.2955% (1.00   3.37  40.96) =  99.995%  kept
          HA    SER   85 - HB2   ASP-  86   5.78 +/- 0.21   1.982% *  0.2169% (0.38   0.02  13.31) =   0.005%
          HB    THR   77 - HB2   ASP-  86  11.53 +/- 0.39   0.031% *  0.2169% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  20.25 +/- 0.67   0.001% *  0.2591% (0.45   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  29.09 +/- 1.41   0.000% *  0.4197% (0.73   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  25.33 +/- 1.35   0.000% *  0.1607% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  35.07 +/- 1.77   0.000% *  0.5729% (0.99   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  39.72 +/- 3.26   0.000% *  0.5767% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  42.62 +/- 3.05   0.000% *  0.2814% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 2.74, residual support = 41.0:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00 100.000% * 97.5930% (1.00   2.74  40.96) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86  14.82 +/- 0.68   0.000% *  0.3473% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  23.19 +/- 0.83   0.000% *  0.6886% (0.97   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  21.13 +/- 1.36   0.000% *  0.2434% (0.34   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  24.75 +/- 1.27   0.000% *  0.3473% (0.49   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  22.86 +/- 1.46   0.000% *  0.1101% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  31.92 +/- 0.63   0.000% *  0.5453% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  31.08 +/- 0.94   0.000% *  0.1250% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 1.0, support = 2.0, residual support = 41.0:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.68 +/- 0.12  99.248% * 95.5303% (1.00   2.00  40.96) =  99.997%  kept
          HA    SER   85 - HB3   ASP-  86   6.10 +/- 0.40   0.740% *  0.3585% (0.38   0.02  13.31) =   0.003%
          HB    THR   77 - HB3   ASP-  86  12.42 +/- 0.41   0.011% *  0.3585% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  21.19 +/- 0.73   0.000% *  0.4283% (0.45   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  29.89 +/- 1.64   0.000% *  0.6937% (0.73   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  26.14 +/- 1.58   0.000% *  0.2656% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  36.00 +/- 1.92   0.000% *  0.9468% (0.99   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  40.61 +/- 3.49   0.000% *  0.9532% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  43.51 +/- 3.27   0.000% *  0.4650% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 2.74, residual support = 41.0:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.999% * 97.5438% (1.00   2.74  40.96) = 100.000%  kept
          HB2   ASP-  78 - HB3   ASP-  86  13.78 +/- 0.76   0.000% *  0.1411% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  86  19.54 +/- 0.92   0.000% *  0.5711% (0.80   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  27.15 +/- 1.28   0.000% *  0.5957% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  27.60 +/- 1.25   0.000% *  0.4899% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  31.04 +/- 1.02   0.000% *  0.6584% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 69.2:
    * O T HB2   TRP   87 - HA    TRP   87   2.56 +/- 0.04 100.000% * 99.5425% (1.00   4.31  69.21) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  24.46 +/- 0.37   0.000% *  0.4575% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 4.26, residual support = 69.2:
    * O T HB3   TRP   87 - HA    TRP   87   3.01 +/- 0.01  99.999% * 99.3295% (1.00   4.26  69.21) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  20.46 +/- 1.85   0.001% *  0.2088% (0.45   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  29.67 +/- 1.33   0.000% *  0.4617% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 69.2:
    * O T HA    TRP   87 - HB2   TRP   87   2.56 +/- 0.04 100.000% * 99.4497% (1.00   4.31  69.21) = 100.000%  kept
          HA    PHE   59 - HB2   TRP   87  25.25 +/- 0.57   0.000% *  0.2983% (0.65   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   TRP   87  25.54 +/- 0.67   0.000% *  0.1896% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  34.10 +/- 1.76   0.000% *  0.0624% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 3.97, residual support = 69.2:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.2797% (1.00   3.97  69.21) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  19.28 +/- 2.05   0.000% *  0.2243% (0.45   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  27.45 +/- 1.40   0.000% *  0.4959% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 4.26, residual support = 69.2:
    * O T HA    TRP   87 - HB3   TRP   87   3.01 +/- 0.01  99.999% * 99.4435% (1.00   4.26  69.21) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  25.42 +/- 0.59   0.000% *  0.3017% (0.65   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  25.92 +/- 0.85   0.000% *  0.1917% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  33.28 +/- 1.74   0.000% *  0.0631% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 3.97, residual support = 69.2:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.5029% (1.00   3.97  69.21) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  21.86 +/- 0.31   0.000% *  0.4971% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 1.92, residual support = 10.8:
    * O T QB    ALA   88 - HA    ALA   88   2.11 +/- 0.01  99.984% * 96.3811% (1.00   1.92  10.75) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   9.65 +/- 0.46   0.012% *  0.8026% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  11.26 +/- 0.68   0.005% *  0.2499% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  20.42 +/- 0.83   0.000% *  0.4494% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  24.75 +/- 0.98   0.000% *  0.3762% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  32.67 +/- 0.60   0.000% *  0.7279% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  26.84 +/- 0.30   0.000% *  0.1755% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  35.12 +/- 0.83   0.000% *  0.8373% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 1.92, residual support = 10.8:
    * O T HA    ALA   88 - QB    ALA   88   2.11 +/- 0.01  99.738% * 94.5419% (1.00   1.92  10.75) =  99.999%  kept
          QB    SER   85 - QB    ALA   88   5.75 +/- 0.24   0.253% *  0.2734% (0.28   0.02   0.02) =   0.001%
        T HB2   SER   82 - QB    ALA   88  10.74 +/- 0.36   0.006% *  0.5567% (0.57   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  12.89 +/- 0.71   0.002% *  0.9077% (0.92   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  14.10 +/- 0.76   0.001% *  0.9077% (0.92   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  25.41 +/- 0.92   0.000% *  0.9811% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  23.35 +/- 0.55   0.000% *  0.4786% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  23.98 +/- 0.77   0.000% *  0.4408% (0.45   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  27.71 +/- 0.32   0.000% *  0.3354% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  27.91 +/- 0.78   0.000% *  0.3035% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  29.72 +/- 0.51   0.000% *  0.2734% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 213.0:
    * O T HB    ILE   89 - HA    ILE   89   3.01 +/- 0.01  99.817% * 99.4496% (0.80   5.44 213.00) = 100.000%  kept
          QD    LYS+  81 - HA    ILE   89   9.16 +/- 1.05   0.170% *  0.0800% (0.18   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  14.41 +/- 0.47   0.008% *  0.1269% (0.28   0.02   0.02) =   0.000%
        T HB    VAL   43 - HA    ILE   89  15.85 +/- 0.59   0.005% *  0.1017% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  26.74 +/- 0.75   0.000% *  0.1714% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  27.15 +/- 0.56   0.000% *  0.0705% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 6.25, residual support = 213.0:
    * O T QG2   ILE   89 - HA    ILE   89   2.33 +/- 0.20  99.969% * 99.7828% (1.00   6.25 213.00) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   9.23 +/- 0.26   0.031% *  0.1680% (0.53   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  22.89 +/- 0.63   0.000% *  0.0493% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.59, residual support = 213.0:
    * O T HG12  ILE   89 - HA    ILE   89   2.88 +/- 0.13  99.990% * 98.8425% (1.00   5.59 213.00) = 100.000%  kept
          HG3   LYS+ 111 - HA    ILE   89  15.72 +/- 1.01   0.004% *  0.3508% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  15.92 +/- 0.66   0.004% *  0.1587% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  20.57 +/- 1.36   0.001% *  0.1092% (0.31   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  26.29 +/- 1.38   0.000% *  0.1723% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  25.91 +/- 1.06   0.000% *  0.1328% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  24.72 +/- 0.72   0.000% *  0.0882% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  28.91 +/- 0.78   0.000% *  0.1455% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 213.0:
    * O T HA    ILE   89 - HB    ILE   89   3.01 +/- 0.01  99.810% * 97.8394% (0.80   5.44 213.00) = 100.000%  kept
          HB3   SER   82 - HB    ILE   89   9.34 +/- 0.21   0.113% *  0.2471% (0.55   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.40 +/- 0.49   0.021% *  0.0629% (0.14   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.57 +/- 0.68   0.012% *  0.0758% (0.17   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  13.82 +/- 1.08   0.012% *  0.0712% (0.16   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  15.45 +/- 0.86   0.006% *  0.0785% (0.17   0.02   0.02) =   0.000%
        T HA    ILE   89 - HB    VAL   43  15.85 +/- 0.59   0.005% *  0.0785% (0.17   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  22.20 +/- 1.01   0.001% *  0.2880% (0.64   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  13.13 +/- 0.29   0.015% *  0.0121% (0.03   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  18.65 +/- 1.07   0.002% *  0.0540% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.69 +/- 1.75   0.001% *  0.0743% (0.17   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  27.61 +/- 1.07   0.000% *  0.3471% (0.77   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  28.86 +/- 0.68   0.000% *  0.3597% (0.80   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  30.20 +/- 2.40   0.000% *  0.3403% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.21 +/- 0.75   0.002% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  23.33 +/- 0.62   0.000% *  0.0555% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 5.72, residual support = 213.0:
    * O T QG2   ILE   89 - HB    ILE   89   2.11 +/- 0.01  99.914% * 99.6351% (0.80   5.72 213.00) = 100.000%  kept
          QG1   VAL   83 - HB    ILE   89   7.12 +/- 0.31   0.071% *  0.1833% (0.42   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB    VAL   43  11.09 +/- 0.46   0.005% *  0.0761% (0.17   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.32 +/- 0.65   0.009% *  0.0117% (0.03   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43  13.62 +/- 1.08   0.002% *  0.0400% (0.09   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  22.34 +/- 0.87   0.000% *  0.0538% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.14, residual support = 213.0:
    * O T HG12  ILE   89 - HB    ILE   89   2.58 +/- 0.12  99.898% * 98.3894% (0.80   5.14 213.00) = 100.000%  kept
          HG2   LYS+  74 - HB    VAL   43   9.41 +/- 0.65   0.050% *  0.0375% (0.08   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  14.53 +/- 0.64   0.003% *  0.1718% (0.36   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  11.21 +/- 0.68   0.017% *  0.0314% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  17.21 +/- 1.23   0.001% *  0.3798% (0.79   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  12.07 +/- 0.77   0.011% *  0.0407% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  14.99 +/- 0.79   0.003% *  0.0829% (0.17   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.47 +/- 0.67   0.005% *  0.0344% (0.07   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  12.44 +/- 0.44   0.008% *  0.0209% (0.04   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB    VAL   43  15.82 +/- 0.62   0.002% *  0.0837% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  21.76 +/- 1.26   0.000% *  0.1183% (0.25   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  24.64 +/- 1.23   0.000% *  0.1865% (0.39   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  24.36 +/- 1.05   0.000% *  0.1438% (0.30   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  18.35 +/- 0.89   0.001% *  0.0258% (0.05   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  22.96 +/- 0.55   0.000% *  0.0955% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  27.91 +/- 0.81   0.000% *  0.1575% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 6.25, residual support = 213.0:
    * O T HA    ILE   89 - QG2   ILE   89   2.33 +/- 0.20  99.950% * 98.5027% (1.00   6.25 213.00) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   9.42 +/- 0.34   0.029% *  0.2165% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  10.10 +/- 0.91   0.019% *  0.0624% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  16.59 +/- 0.76   0.001% *  0.2524% (0.80   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  22.01 +/- 0.91   0.000% *  0.3041% (0.97   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  23.22 +/- 0.73   0.000% *  0.3152% (1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  24.41 +/- 1.91   0.000% *  0.2981% (0.95   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  19.00 +/- 0.80   0.000% *  0.0486% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 5.72, residual support = 213.0:
    * O T HB    ILE   89 - QG2   ILE   89   2.11 +/- 0.01  99.902% * 99.4764% (0.80   5.72 213.00) = 100.000%  kept
          QD    LYS+  81 - QG2   ILE   89   7.48 +/- 0.98   0.087% *  0.0761% (0.18   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  10.59 +/- 0.41   0.006% *  0.1208% (0.28   0.02   0.02) =   0.000%
        T HB    VAL   43 - QG2   ILE   89  11.09 +/- 0.46   0.005% *  0.0967% (0.22   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  20.25 +/- 0.51   0.000% *  0.1630% (0.38   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  20.65 +/- 0.57   0.000% *  0.0670% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.89, residual support = 213.0:
    * O T HG12  ILE   89 - QG2   ILE   89   3.20 +/- 0.03  99.888% * 98.9018% (1.00   5.89 213.00) = 100.000%  kept
          HG3   LYS+ 111 - QG2   ILE   89  12.38 +/- 1.10   0.035% *  0.3328% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG2   ILE   89  11.14 +/- 0.73   0.063% *  0.1505% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  16.22 +/- 1.07   0.006% *  0.1036% (0.31   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  19.65 +/- 1.12   0.002% *  0.1634% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  19.34 +/- 0.88   0.002% *  0.1260% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  18.34 +/- 0.71   0.003% *  0.0837% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  22.05 +/- 0.58   0.001% *  0.1380% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 5.59, residual support = 213.0:
    * O T HA    ILE   89 - HG12  ILE   89   2.88 +/- 0.13  98.646% * 97.5266% (1.00   5.59 213.00) =  99.998%  kept
        T HB    THR   39 - HG3   LYS+  99   6.88 +/- 1.09   1.064% *  0.1367% (0.39   0.02   0.02) =   0.002%
          HB3   SER   37 - HG3   LYS+  99   8.82 +/- 1.58   0.212% *  0.1416% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - HG12  ILE   89  10.04 +/- 0.49   0.059% *  0.2399% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.18 +/- 1.12   0.006% *  0.0691% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  16.51 +/- 0.52   0.003% *  0.1134% (0.32   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  19.43 +/- 2.11   0.001% *  0.1340% (0.38   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  14.67 +/- 0.99   0.006% *  0.0219% (0.06   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  22.90 +/- 0.70   0.000% *  0.2796% (0.80   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  28.71 +/- 1.14   0.000% *  0.3370% (0.97   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  29.93 +/- 1.36   0.000% *  0.3492% (1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  31.89 +/- 2.36   0.000% *  0.3303% (0.95   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  24.67 +/- 1.34   0.000% *  0.0539% (0.15   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  28.91 +/- 0.78   0.000% *  0.1416% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  30.26 +/- 1.18   0.000% *  0.0973% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  30.37 +/- 0.72   0.000% *  0.0280% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.674, support = 5.28, residual support = 205.1:
    * O T HB    ILE   89 - HG12  ILE   89   2.58 +/- 0.12  36.761% * 76.6426% (0.80   5.14 213.00) =  81.746%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.56 +/- 0.26  43.061% *  7.5061% (0.06   6.44 169.85) =   9.378%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.92 +/- 0.23  20.154% * 15.1788% (0.15   5.35 169.85) =   8.876%  kept
          QD    LYS+  81 - HG12  ILE   89   9.24 +/- 0.92   0.021% *  0.0653% (0.18   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.84 +/- 0.44   0.001% *  0.1036% (0.28   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.47 +/- 0.67   0.002% *  0.0337% (0.09   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG12  ILE   89  15.82 +/- 0.62   0.001% *  0.0830% (0.22   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.12 +/- 0.60   0.000% *  0.0420% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  26.52 +/- 0.72   0.000% *  0.1399% (0.38   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  27.91 +/- 0.81   0.000% *  0.1210% (0.32   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  26.90 +/- 0.55   0.000% *  0.0575% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  29.42 +/- 0.96   0.000% *  0.0265% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 1.0, support = 5.89, residual support = 213.0:
    * O T QG2   ILE   89 - HG12  ILE   89   3.20 +/- 0.03  54.369% * 99.5397% (1.00   5.89 213.00) =  99.981%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.35 +/- 0.45  45.185% *  0.0211% (0.06   0.02  19.19) =   0.018%
          QG1   VAL   83 - HG12  ILE   89   7.22 +/- 0.36   0.445% *  0.1778% (0.53   0.02   0.02) =   0.001%
        T QG2   ILE   89 - HG3   LYS+  99  22.05 +/- 0.58   0.001% *  0.1371% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  22.97 +/- 1.19   0.000% *  0.0721% (0.21   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  22.85 +/- 0.67   0.000% *  0.0521% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 95.3:
    * O T HB2   GLN   90 - HA    GLN   90   2.60 +/- 0.21  99.973% * 97.7344% (0.78   3.96  95.33) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  10.48 +/- 0.73   0.027% *  0.5829% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  23.41 +/- 0.52   0.000% *  0.3738% (0.59   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  25.61 +/- 0.57   0.000% *  0.5829% (0.93   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  28.45 +/- 0.68   0.000% *  0.6040% (0.96   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  32.97 +/- 0.96   0.000% *  0.1220% (0.19   0.02   0.02) =   0.000%
    Distance limit 5.01 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 = 3.97, residual support = 95.3:
    * O T HB3   GLN   90 - HA    GLN   90   2.87 +/- 0.18  99.030% * 95.3084% (0.82   3.97  95.33) =  99.996%  kept
          QB    LYS+  81 - HA    GLN   90   8.03 +/- 1.41   0.600% *  0.5160% (0.88   0.02   0.02) =   0.003%
          HB2   MET   92 - HA    GLN   90   7.44 +/- 0.48   0.357% *  0.2801% (0.48   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    GLN   90  15.47 +/- 0.71   0.005% *  0.5443% (0.93   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  15.55 +/- 0.72   0.004% *  0.3490% (0.59   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  17.67 +/- 0.53   0.002% *  0.5312% (0.90   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  22.77 +/- 0.91   0.000% *  0.3722% (0.63   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  22.64 +/- 0.50   0.000% *  0.3722% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  24.71 +/- 0.65   0.000% *  0.4397% (0.75   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  24.28 +/- 0.73   0.000% *  0.3258% (0.55   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  22.15 +/- 0.54   0.001% *  0.1776% (0.30   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  32.42 +/- 0.80   0.000% *  0.4806% (0.82   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  32.45 +/- 0.59   0.000% *  0.3027% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.59, residual support = 95.3:
    * O T QG    GLN   90 - HA    GLN   90   2.54 +/- 0.51  99.569% * 96.6682% (0.88   3.59  95.33) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   7.24 +/- 0.99   0.426% *  0.0927% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  15.52 +/- 0.80   0.003% *  0.5955% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  21.20 +/- 0.92   0.000% *  0.5684% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  22.87 +/- 0.79   0.000% *  0.3402% (0.55   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  26.89 +/- 0.84   0.000% *  0.5995% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  28.36 +/- 1.78   0.000% *  0.5890% (0.96   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  23.94 +/- 0.60   0.000% *  0.1338% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  35.29 +/- 2.67   0.000% *  0.4127% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.3:
    * O T HA    GLN   90 - HB2   GLN   90   2.60 +/- 0.21  99.962% * 97.4335% (0.78   3.96  95.33) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  10.48 +/- 0.73   0.027% *  0.3560% (0.57   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.37 +/- 0.61   0.004% *  0.4633% (0.74   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  17.67 +/- 0.80   0.001% *  0.4974% (0.79   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  17.45 +/- 0.44   0.001% *  0.3353% (0.53   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  16.02 +/- 0.55   0.002% *  0.1768% (0.28   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  20.85 +/- 0.35   0.000% *  0.3600% (0.57   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  22.12 +/- 0.50   0.000% *  0.2443% (0.39   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  19.10 +/- 0.64   0.001% *  0.0774% (0.12   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  19.66 +/- 0.93   0.001% *  0.0560% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 3.99, residual support = 95.3:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.949% * 91.9153% (0.67   3.99  95.33) = 100.000%  kept
          QB    LYS+  81 - HB3   GLU-  79   6.96 +/- 0.50   0.029% *  0.3580% (0.52   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   90   9.72 +/- 1.41   0.007% *  0.4946% (0.72   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.15 +/- 0.39   0.010% *  0.2685% (0.39   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  11.78 +/- 2.79   0.002% *  0.1943% (0.28   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  12.78 +/- 0.69   0.001% *  0.3334% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  13.68 +/- 0.23   0.000% *  0.2582% (0.37   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  15.49 +/- 0.55   0.000% *  0.5217% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  15.43 +/- 0.99   0.000% *  0.3345% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  16.82 +/- 0.98   0.000% *  0.3685% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  16.68 +/- 0.43   0.000% *  0.3050% (0.44   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  18.51 +/- 0.58   0.000% *  0.5091% (0.74   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  17.80 +/- 0.33   0.000% *  0.3776% (0.55   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  17.61 +/- 0.77   0.000% *  0.2421% (0.35   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  20.80 +/- 0.83   0.000% *  0.2582% (0.37   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  21.42 +/- 1.04   0.000% *  0.2260% (0.33   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  23.69 +/- 0.74   0.000% *  0.3568% (0.52   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  24.64 +/- 0.63   0.000% *  0.3568% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.29 +/- 0.68   0.000% *  0.1702% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  26.49 +/- 0.67   0.000% *  0.4215% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  25.68 +/- 0.98   0.000% *  0.3334% (0.48   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  25.50 +/- 0.74   0.000% *  0.3123% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  22.39 +/- 0.52   0.000% *  0.1232% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  27.03 +/- 0.36   0.000% *  0.2100% (0.30   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  34.06 +/- 0.94   0.000% *  0.4607% (0.67   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  33.62 +/- 0.71   0.000% *  0.2902% (0.42   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.91, residual support = 95.3:
    * O T QG    GLN   90 - HB2   GLN   90   2.31 +/- 0.08  99.867% * 94.5009% (0.72   3.91  95.33) = 100.000%  kept
          HG3   MET   92 - HB2   GLN   90   7.61 +/- 1.22   0.109% *  0.0831% (0.12   0.02   0.02) =   0.000%
        T QG    GLN   90 - HB3   GLU-  79  11.20 +/- 0.52   0.008% *  0.3497% (0.52   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  11.75 +/- 0.59   0.006% *  0.3864% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.43 +/- 0.53   0.001% *  0.3688% (0.55   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  16.82 +/- 0.98   0.001% *  0.5340% (0.79   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  13.02 +/- 2.29   0.005% *  0.0602% (0.09   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  13.92 +/- 0.33   0.002% *  0.0868% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  20.08 +/- 1.09   0.000% *  0.3890% (0.58   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  21.06 +/- 1.55   0.000% *  0.3822% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  22.63 +/- 1.04   0.000% *  0.5096% (0.76   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  23.19 +/- 0.68   0.000% *  0.3050% (0.45   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  22.83 +/- 0.64   0.000% *  0.2207% (0.33   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  28.31 +/- 0.85   0.000% *  0.5376% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  29.83 +/- 2.05   0.000% *  0.5281% (0.78   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  27.98 +/- 2.97   0.000% *  0.2678% (0.40   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  26.13 +/- 0.66   0.000% *  0.1199% (0.18   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  36.77 +/- 2.72   0.000% *  0.3701% (0.55   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 95.3:
    * O T HA    GLN   90 - HB3   GLN   90   2.87 +/- 0.18  99.988% * 98.7024% (0.82   3.97  95.33) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  14.22 +/- 0.71   0.008% *  0.4688% (0.77   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  17.71 +/- 1.32   0.002% *  0.5033% (0.83   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  21.94 +/- 0.32   0.001% *  0.2472% (0.41   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  18.83 +/- 0.53   0.001% *  0.0784% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 3.99, residual support = 95.3:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 97.7505% (0.67   3.99  95.33) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  12.78 +/- 0.69   0.001% *  0.5788% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  25.57 +/- 0.44   0.000% *  0.3711% (0.51   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  27.75 +/- 0.53   0.000% *  0.5788% (0.79   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  30.10 +/- 0.54   0.000% *  0.5997% (0.82   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  34.45 +/- 1.05   0.000% *  0.1211% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.91, residual support = 95.3:
    * O T QG    GLN   90 - HB3   GLN   90   2.45 +/- 0.09  99.797% * 96.9368% (0.75   3.91  95.33) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   7.58 +/- 1.38   0.202% *  0.0852% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  16.75 +/- 0.97   0.001% *  0.5475% (0.83   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  22.57 +/- 0.87   0.000% *  0.5226% (0.79   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  23.08 +/- 0.79   0.000% *  0.3128% (0.47   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  28.32 +/- 1.05   0.000% *  0.5512% (0.83   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  29.91 +/- 1.99   0.000% *  0.5415% (0.82   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  26.07 +/- 0.56   0.000% *  0.1230% (0.19   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  36.84 +/- 2.80   0.000% *  0.3795% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.59, residual support = 95.3:
    * O T HA    GLN   90 - QG    GLN   90   2.54 +/- 0.51  99.977% * 98.5676% (0.88   3.59  95.33) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  13.31 +/- 1.11   0.016% *  0.5175% (0.83   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  16.31 +/- 1.15   0.004% *  0.5556% (0.89   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  20.03 +/- 0.79   0.001% *  0.2729% (0.44   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  17.42 +/- 1.05   0.003% *  0.0865% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.91, residual support = 95.3:
    * O T HB2   GLN   90 - QG    GLN   90   2.31 +/- 0.08  99.991% * 97.7063% (0.72   3.91  95.33) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  11.20 +/- 0.52   0.008% *  0.5902% (0.85   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  22.79 +/- 0.59   0.000% *  0.3784% (0.54   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  24.78 +/- 0.62   0.000% *  0.5902% (0.85   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  27.04 +/- 0.73   0.000% *  0.6115% (0.88   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  31.10 +/- 0.88   0.000% *  0.1235% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 0.749, support = 3.91, residual support = 95.3:
    * O T HB3   GLN   90 - QG    GLN   90   2.45 +/- 0.09  99.711% * 95.2482% (0.75   3.91  95.33) =  99.999%  kept
          QB    LYS+  81 - QG    GLN   90   8.14 +/- 1.11   0.127% *  0.5227% (0.80   0.02   0.02) =   0.001%
        T HB2   MET   92 - QG    GLN   90   7.77 +/- 1.15   0.155% *  0.2837% (0.44   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  14.35 +/- 1.11   0.003% *  0.5513% (0.85   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  14.25 +/- 0.84   0.003% *  0.3535% (0.54   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG    GLN   90  16.76 +/- 0.82   0.001% *  0.5380% (0.83   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  21.50 +/- 1.09   0.000% *  0.3770% (0.58   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  22.09 +/- 0.61   0.000% *  0.3770% (0.58   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  20.41 +/- 0.91   0.000% *  0.1799% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  23.72 +/- 0.72   0.000% *  0.4454% (0.69   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  22.96 +/- 0.92   0.000% *  0.3300% (0.51   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  30.59 +/- 0.80   0.000% *  0.4868% (0.75   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  30.38 +/- 0.81   0.000% *  0.3066% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 2.29, residual support = 14.2:
    * O T QB    ALA   91 - HA    ALA   91   2.14 +/- 0.01  99.964% * 95.0023% (1.00   2.29  14.22) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   8.50 +/- 0.81   0.030% *  0.6022% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  12.45 +/- 2.10   0.004% *  0.5030% (0.61   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  15.00 +/- 1.78   0.001% *  0.1846% (0.22   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  19.47 +/- 0.82   0.000% *  0.4363% (0.53   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  21.85 +/- 0.82   0.000% *  0.8293% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  21.84 +/- 1.85   0.000% *  0.6927% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.70 +/- 1.75   0.000% *  0.4695% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.88 +/- 0.60   0.000% *  0.5365% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.37 +/- 1.54   0.000% *  0.7437% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 2.29, residual support = 14.2:
    * O T HA    ALA   91 - QB    ALA   91   2.14 +/- 0.01  99.816% * 96.3380% (1.00   2.29  14.22) = 100.000%  kept
          HA    PRO   52 - QB    ALA   91   8.39 +/- 2.04   0.069% *  0.2596% (0.31   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   7.32 +/- 0.56   0.078% *  0.0816% (0.10   0.02   2.32) =   0.000%
          HA    ALA  110 - QB    ALA   91   8.51 +/- 0.24   0.026% *  0.1664% (0.20   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   91  12.45 +/- 1.09   0.003% *  0.8116% (0.97   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   39  11.42 +/- 0.68   0.005% *  0.3666% (0.44   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  16.04 +/- 0.33   0.001% *  0.7763% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.17 +/- 0.38   0.001% *  0.3832% (0.46   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  15.00 +/- 1.78   0.001% *  0.0884% (0.11   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  21.85 +/- 0.82   0.000% *  0.3971% (0.47   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  18.66 +/- 0.61   0.000% *  0.0786% (0.09   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  21.25 +/- 0.76   0.000% *  0.0853% (0.10   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.20 +/- 0.80   0.000% *  0.1226% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.48 +/- 0.64   0.000% *  0.0273% (0.03   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  19.86 +/- 0.56   0.000% *  0.0175% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.2:
    * O T HA    PRO   93 - HD2   PRO   93   3.98 +/- 0.00 100.000% *100.0000% (0.73   5.31 132.17) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.1:
    * O T HB2   PRO   93 - HD2   PRO   93   4.04 +/- 0.00  68.243% * 98.1923% (0.73   5.40 132.17) =  99.945%  kept
          HG3   PRO   52 - HD2   PRO   93   4.94 +/- 1.17  30.851% *  0.1123% (0.22   0.02   0.02) =   0.052%
          HB    VAL  108 - HD2   PRO   93   8.78 +/- 0.52   0.735% *  0.2913% (0.58   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HD2   PRO   93  12.10 +/- 1.03   0.088% *  0.3156% (0.63   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  12.96 +/- 0.80   0.059% *  0.1123% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  15.86 +/- 0.75   0.018% *  0.2060% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  22.37 +/- 0.31   0.002% *  0.2060% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  22.96 +/- 0.63   0.002% *  0.1011% (0.20   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  27.35 +/- 0.33   0.001% *  0.1771% (0.35   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  29.02 +/- 1.85   0.001% *  0.1365% (0.27   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  37.25 +/- 2.34   0.000% *  0.1496% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.70 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 = 132.2:
    * O T HG2   PRO   93 - HD2   PRO   93   2.30 +/- 0.00  98.931% * 97.2556% (0.73   4.00 132.17) =  99.998%  kept
          HB3   PRO   52 - HD2   PRO   93   6.03 +/- 1.27   1.067% *  0.1501% (0.22   0.02   0.02) =   0.002%
          QB    LYS+  66 - HD2   PRO   93  18.29 +/- 0.64   0.000% *  0.4361% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  18.41 +/- 0.63   0.000% *  0.4062% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.73 +/- 0.46   0.000% *  0.2753% (0.41   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.69 +/- 0.75   0.000% *  0.3531% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  21.10 +/- 0.35   0.000% *  0.4489% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  21.44 +/- 0.42   0.000% *  0.3894% (0.58   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  21.11 +/- 0.77   0.000% *  0.1501% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  22.78 +/- 0.80   0.000% *  0.1352% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.2:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.950% * 97.7197% (0.65   4.00 132.17) = 100.000%  kept
          HB3   CYS   53 - HD2   PRO   93   7.27 +/- 0.94   0.031% *  0.5400% (0.72   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   93   7.85 +/- 0.92   0.017% *  0.4362% (0.58   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  11.38 +/- 0.71   0.001% *  0.2866% (0.38   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  13.93 +/- 1.03   0.000% *  0.5448% (0.73   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  24.31 +/- 0.91   0.000% *  0.4726% (0.63   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.2:
    * O T HA    PRO   93 - HD3   PRO   93   3.79 +/- 0.00  99.997% * 99.9331% (0.90   5.31 132.17) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  21.46 +/- 0.40   0.003% *  0.0669% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.06, 3.34, 50.24 ppm):
    22 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.1:
    * O T HB2   PRO   93 - HD3   PRO   93   3.53 +/- 0.00  65.154% * 97.8143% (0.90   5.40 132.17) =  99.938%  kept
          HG3   PRO   52 - HD3   PRO   93   4.21 +/- 1.02  34.585% *  0.1119% (0.28   0.02   0.02) =   0.061%
          HB    VAL  108 - HD3   PRO   93  10.40 +/- 0.48   0.107% *  0.2902% (0.72   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   93  11.34 +/- 0.83   0.054% *  0.3143% (0.78   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   93  13.00 +/- 0.47   0.025% *  0.1119% (0.28   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  16.75 +/- 0.58   0.006% *  0.2052% (0.51   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  13.63 +/- 1.23   0.024% *  0.0242% (0.06   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  14.51 +/- 0.78   0.014% *  0.0365% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  15.66 +/- 0.42   0.009% *  0.0365% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  22.05 +/- 0.32   0.001% *  0.2052% (0.51   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  18.17 +/- 0.85   0.004% *  0.0314% (0.08   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  22.49 +/- 0.63   0.001% *  0.1008% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  17.10 +/- 0.81   0.005% *  0.0199% (0.05   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  17.33 +/- 0.96   0.005% *  0.0179% (0.04   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  21.24 +/- 0.66   0.001% *  0.0645% (0.16   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  19.30 +/- 2.27   0.003% *  0.0265% (0.07   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  22.58 +/- 0.65   0.001% *  0.0559% (0.14   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  28.02 +/- 0.42   0.000% *  0.1764% (0.44   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  28.55 +/- 1.89   0.000% *  0.1360% (0.34   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  24.27 +/- 0.43   0.001% *  0.0516% (0.13   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  36.78 +/- 2.38   0.000% *  0.1490% (0.37   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  25.69 +/- 0.84   0.000% *  0.0199% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.2:
    * O T HG2   PRO   93 - HD3   PRO   93   2.91 +/- 0.00  92.020% * 96.6997% (0.90   4.00 132.17) =  99.991%  kept
        T HB3   PRO   52 - HD3   PRO   93   5.76 +/- 0.99   2.870% *  0.1492% (0.28   0.02   0.02) =   0.005%
          QB    LYS+  66 - HD3   PRO   68   5.05 +/- 0.49   4.023% *  0.0772% (0.14   0.02   0.02) =   0.003%
          QB    LYS+  65 - HD3   PRO   68   6.53 +/- 0.80   0.958% *  0.0719% (0.13   0.02   0.02) =   0.001%
          HB2   LEU   71 - HD3   PRO   68  11.38 +/- 0.43   0.027% *  0.0689% (0.13   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  10.55 +/- 0.70   0.044% *  0.0239% (0.04   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  11.26 +/- 1.42   0.039% *  0.0266% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  18.32 +/- 0.45   0.001% *  0.4039% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  18.59 +/- 0.46   0.001% *  0.4336% (0.80   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  13.91 +/- 0.71   0.008% *  0.0625% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.60 +/- 0.44   0.001% *  0.2737% (0.51   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.94 +/- 0.65   0.001% *  0.3511% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.42 +/- 0.41   0.001% *  0.3872% (0.72   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.97 +/- 0.32   0.000% *  0.4463% (0.83   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  17.31 +/- 0.92   0.002% *  0.0794% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  21.84 +/- 0.59   0.001% *  0.1492% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  22.26 +/- 0.72   0.000% *  0.1344% (0.25   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.88 +/- 0.69   0.001% *  0.0487% (0.09   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  22.70 +/- 1.22   0.000% *  0.0860% (0.16   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  24.71 +/- 0.93   0.000% *  0.0266% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.2:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.993% * 98.6141% (0.65   4.00 132.17) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93   8.85 +/- 0.67   0.007% *  0.6090% (0.80   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  17.65 +/- 0.18   0.000% *  0.4931% (0.65   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  21.27 +/- 0.31   0.000% *  0.0878% (0.12   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  24.31 +/- 0.91   0.000% *  0.0878% (0.12   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  25.10 +/- 0.28   0.000% *  0.1084% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.2:
    * O T HB2   PRO   93 - HA    PRO   93   2.30 +/- 0.00  99.829% * 98.3650% (1.00   5.98 132.17) = 100.000%  kept
          HG3   PRO   52 - HA    PRO   93   7.19 +/- 0.75   0.141% *  0.1016% (0.31   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    PRO   93   9.66 +/- 0.41   0.019% *  0.2635% (0.80   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  12.22 +/- 0.62   0.005% *  0.2854% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  12.36 +/- 0.55   0.004% *  0.1016% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  15.09 +/- 0.62   0.001% *  0.1863% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.63 +/- 0.29   0.000% *  0.1863% (0.57   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  19.26 +/- 0.62   0.000% *  0.0915% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.51 +/- 0.48   0.000% *  0.1602% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  25.47 +/- 2.02   0.000% *  0.1235% (0.38   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  33.91 +/- 2.36   0.000% *  0.1353% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.2:
    * O T HG2   PRO   93 - HA    PRO   93   3.97 +/- 0.00  98.183% * 97.9201% (1.00   5.31 132.17) =  99.998%  kept
          HB3   PRO   52 - HA    PRO   93   8.06 +/- 0.74   1.689% *  0.1138% (0.31   0.02   0.02) =   0.002%
          QB    LYS+  66 - HA    PRO   93  16.21 +/- 0.43   0.022% *  0.3305% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  16.15 +/- 0.43   0.022% *  0.3078% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.41 +/- 0.43   0.029% *  0.2087% (0.57   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  16.28 +/- 0.62   0.021% *  0.2676% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  17.80 +/- 0.38   0.012% *  0.2951% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  19.14 +/- 0.28   0.008% *  0.3402% (0.92   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  19.77 +/- 0.60   0.007% *  0.1138% (0.31   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  19.47 +/- 0.54   0.007% *  0.1025% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.2:
    * O T HD2   PRO   93 - HA    PRO   93   3.98 +/- 0.00  97.987% * 99.1658% (0.73   5.31 132.17) =  99.990%  kept
          HA    THR   77 - HA    PRO   93   7.68 +/- 0.34   1.976% *  0.4610% (0.90   0.02   0.02) =   0.009%
          HB2   TRP   27 - HA    PRO   93  14.79 +/- 0.27   0.037% *  0.3732% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.1:
    * O T HD3   PRO   93 - HA    PRO   93   3.79 +/- 0.00  94.511% * 98.2738% (0.90   5.31 132.17) =  99.977%  kept
          HB3   CYS   53 - HA    PRO   93   6.38 +/- 0.43   4.522% *  0.4088% (0.99   0.02   0.02) =   0.020%
          QB    PHE   55 - HA    PRO   93   8.73 +/- 0.53   0.681% *  0.3302% (0.80   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PRO   93  10.36 +/- 0.52   0.239% *  0.2170% (0.53   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PRO   93  13.80 +/- 0.75   0.043% *  0.4124% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  21.46 +/- 0.40   0.003% *  0.3578% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.2:
    * O T HG2   PRO   93 - HB2   PRO   93   2.96 +/- 0.00  97.876% * 97.7682% (1.00   5.40 132.17) =  99.998%  kept
        T HB3   PRO   52 - HB2   PRO   93   6.27 +/- 0.80   1.487% *  0.1118% (0.31   0.02   0.02) =   0.002%
          HB2   LEU   71 - HG3   GLN   30   7.35 +/- 0.53   0.456% *  0.0226% (0.06   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.75 +/- 1.48   0.108% *  0.0205% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  15.36 +/- 0.32   0.005% *  0.3026% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  15.73 +/- 0.34   0.004% *  0.3249% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  17.50 +/- 0.89   0.002% *  0.2630% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  17.08 +/- 0.49   0.003% *  0.2051% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  18.59 +/- 0.68   0.002% *  0.2900% (0.80   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  11.71 +/- 1.90   0.042% *  0.0078% (0.02   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  20.45 +/- 0.29   0.001% *  0.3344% (0.92   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  19.11 +/- 0.58   0.001% *  0.1118% (0.31   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  19.14 +/- 0.81   0.001% *  0.1007% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  16.38 +/- 1.12   0.004% *  0.0236% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  17.54 +/- 0.88   0.002% *  0.0253% (0.07   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  18.19 +/- 0.85   0.002% *  0.0261% (0.07   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  17.18 +/- 0.90   0.003% *  0.0160% (0.04   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.62 +/- 0.99   0.001% *  0.0282% (0.08   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  25.28 +/- 1.13   0.000% *  0.0087% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  25.83 +/- 0.96   0.000% *  0.0087% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.2:
    * O T HD2   PRO   93 - HB2   PRO   93   4.04 +/- 0.00  95.199% * 99.0870% (0.73   5.40 132.17) =  99.995%  kept
          HA    THR   77 - HB2   PRO   93   8.99 +/- 0.45   0.826% *  0.4534% (0.90   0.02   0.02) =   0.004%
          HB2   TRP   27 - HG3   GLN   30   7.28 +/- 0.88   3.928% *  0.0286% (0.06   0.02   0.02) =   0.001%
          HB2   TRP   27 - HB2   PRO   93  16.07 +/- 0.84   0.026% *  0.3671% (0.73   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  16.81 +/- 0.73   0.019% *  0.0353% (0.07   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  22.96 +/- 0.63   0.003% *  0.0286% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.0:
    * O T HD3   PRO   93 - HB2   PRO   93   3.53 +/- 0.00  80.313% * 98.1425% (0.90   5.40 132.17) =  99.902%  kept
          HB3   CYS   53 - HB2   PRO   93   4.63 +/- 0.38  17.597% *  0.4018% (0.99   0.02   0.02) =   0.090%
          QB    PHE   55 - HB2   PRO   93   6.94 +/- 0.73   1.728% *  0.3246% (0.80   0.02   0.02) =   0.007%
          HB2   PHE   59 - HB2   PRO   93   9.16 +/- 0.51   0.282% *  0.2133% (0.53   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HB2   PRO   93  11.73 +/- 0.71   0.065% *  0.4054% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   PRO   93  21.24 +/- 0.66   0.002% *  0.3517% (0.87   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  17.33 +/- 0.96   0.006% *  0.0274% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  20.81 +/- 1.01   0.002% *  0.0313% (0.08   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  22.49 +/- 0.63   0.001% *  0.0283% (0.07   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.99 +/- 0.73   0.001% *  0.0253% (0.06   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  21.98 +/- 0.92   0.001% *  0.0166% (0.04   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  25.53 +/- 1.31   0.001% *  0.0316% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.2:
    * O T HA    PRO   93 - HG2   PRO   93   3.97 +/- 0.00 100.000% *100.0000% (1.00   5.31 132.17) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.2:
    * O T HB2   PRO   93 - HG2   PRO   93   2.96 +/- 0.00  91.084% * 98.1923% (1.00   5.40 132.17) =  99.988%  kept
        T HG3   PRO   52 - HG2   PRO   93   4.67 +/- 0.63   8.707% *  0.1123% (0.31   0.02   0.02) =   0.011%
          HB    VAL  108 - HG2   PRO   93   9.29 +/- 0.72   0.108% *  0.2913% (0.80   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93  10.50 +/- 0.91   0.051% *  0.3156% (0.87   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   93  10.82 +/- 0.72   0.041% *  0.1123% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  14.04 +/- 0.63   0.008% *  0.2060% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  21.95 +/- 0.82   0.001% *  0.2060% (0.57   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  22.62 +/- 0.99   0.000% *  0.1011% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.99 +/- 0.52   0.000% *  0.1771% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  27.95 +/- 1.83   0.000% *  0.1365% (0.38   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  36.09 +/- 2.40   0.000% *  0.1496% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.2:
    * O T HD2   PRO   93 - HG2   PRO   93   2.30 +/- 0.00  99.990% * 98.8948% (0.73   4.00 132.17) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  10.84 +/- 0.37   0.009% *  0.6107% (0.90   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  18.47 +/- 0.56   0.000% *  0.4945% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.1:
    * O T HD3   PRO   93 - HG2   PRO   93   2.91 +/- 0.00  96.549% * 97.7197% (0.90   4.00 132.17) =  99.982%  kept
          HB3   CYS   53 - HG2   PRO   93   6.23 +/- 1.01   2.086% *  0.5400% (0.99   0.02   0.02) =   0.012%
          QB    PHE   55 - HG2   PRO   93   6.22 +/- 0.65   1.248% *  0.4362% (0.80   0.02   0.02) =   0.006%
          HB2   PHE   59 - HG2   PRO   93   9.33 +/- 0.65   0.098% *  0.2866% (0.53   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  12.40 +/- 0.92   0.018% *  0.5448% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  22.70 +/- 1.22   0.000% *  0.4726% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (4.95, 4.95, 63.38 ppm):
    1 diagonal assignment:
    *     HA    THR   94 - HA    THR   94  (1.00)  kept
 
    Peak 1091 (3.95, 4.95, 63.38 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - HA    THR   94   3.04 +/- 0.02  99.889% * 94.0553% (0.84   2.43  25.31) = 100.000%  kept
          QB    SER  117 - HA    THR   94  11.45 +/- 0.37   0.035% *  0.3808% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  11.16 +/- 0.67   0.044% *  0.1833% (0.20   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  14.27 +/- 0.24   0.009% *  0.8550% (0.92   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.61 +/- 0.54   0.008% *  0.6363% (0.69   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.70 +/- 0.34   0.004% *  0.9263% (1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  16.06 +/- 0.25   0.005% *  0.7079% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  18.02 +/- 0.76   0.002% *  0.7737% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.42 +/- 0.24   0.002% *  0.7079% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  21.71 +/- 0.46   0.001% *  0.7737% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.59 +/- 0.07  99.954% * 98.1197% (1.00   2.96  25.31) = 100.000%  kept
          HD2   LYS+ 112 - HA    THR   94  12.07 +/- 1.35   0.017% *  0.5314% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    THR   94  11.86 +/- 0.52   0.012% *  0.6622% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  11.15 +/- 0.30   0.016% *  0.2048% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  17.96 +/- 0.57   0.001% *  0.4819% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HA    THR   94 - HB    THR   94   3.04 +/- 0.02  99.913% * 99.7953% (0.84   2.43  25.31) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   9.87 +/- 0.34   0.087% *  0.2047% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T QG2   THR   94 - HB    THR   94   2.14 +/- 0.01  99.990% * 97.7206% (0.84   2.43  25.31) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  10.62 +/- 0.36   0.007% *  0.2483% (0.26   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  14.78 +/- 1.37   0.001% *  0.6442% (0.67   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  14.74 +/- 0.54   0.001% *  0.8027% (0.83   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  17.55 +/- 0.70   0.000% *  0.5842% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 2.96, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.59 +/- 0.07  99.945% * 99.8316% (1.00   2.96  25.31) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   9.14 +/- 0.33   0.055% *  0.1684% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - QG2   THR   94   2.14 +/- 0.01  99.980% * 94.0506% (0.84   2.43  25.31) = 100.000%  kept
          QB    SER  117 - QG2   THR   94  10.33 +/- 0.43   0.008% *  0.3811% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  12.77 +/- 0.28   0.002% *  0.8557% (0.92   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  13.70 +/- 0.28   0.001% *  0.7084% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.46 +/- 0.56   0.005% *  0.1834% (0.20   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  14.91 +/- 0.33   0.001% *  0.9270% (1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   THR   94  14.66 +/- 0.85   0.001% *  0.7743% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  14.36 +/- 0.42   0.001% *  0.6367% (0.69   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.24 +/- 0.20   0.001% *  0.7084% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.49 +/- 0.54   0.000% *  0.7743% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   2.99 +/- 0.03 100.000% *100.0000% (1.00   3.44  73.50) = 100.000%  kept
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (2.54, 5.96, 55.53 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HB3   PHE   95 - HA    PHE   95   2.35 +/- 0.02  99.997% * 99.3383% (1.00   4.00  73.50) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  13.66 +/- 0.33   0.003% *  0.4923% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  20.37 +/- 0.56   0.000% *  0.1694% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   2.99 +/- 0.03 100.000% *100.0000% (1.00   3.44  73.50) = 100.000%  kept
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.999% * 99.2020% (1.00   3.31  73.50) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.48 +/- 0.32   0.001% *  0.5937% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  23.06 +/- 0.55   0.000% *  0.2043% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HA    PHE   95 - HB3   PHE   95   2.35 +/- 0.02 100.000% *100.0000% (1.00   4.00  73.50) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00   3.31  73.50) = 100.000%  kept
    Distance limit 2.96 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 = 0.98, support = 5.0, residual support = 115.5:
    * O T HB2   MET   96 - HA    MET   96   3.06 +/- 0.01  97.474% * 98.5022% (0.98   5.00 115.51) =  99.996%  kept
          HB2   ASP- 105 - HA    MET   96   5.75 +/- 0.38   2.487% *  0.1620% (0.40   0.02   0.02) =   0.004%
          HB    VAL   70 - HA    MET   96  12.22 +/- 0.40   0.025% *  0.3011% (0.75   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.12 +/- 0.57   0.007% *  0.2861% (0.71   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  16.75 +/- 0.48   0.004% *  0.2549% (0.63   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  17.17 +/- 0.56   0.003% *  0.2706% (0.67   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  20.62 +/- 0.50   0.001% *  0.2231% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 115.5:
    * O T HB3   MET   96 - HA    MET   96   2.59 +/- 0.05  99.984% * 98.9690% (0.98   5.00 115.51) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.29 +/- 0.32   0.015% *  0.3170% (0.78   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  23.05 +/- 1.96   0.000% *  0.3434% (0.85   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.43 +/- 0.34   0.001% *  0.0987% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  31.42 +/- 2.17   0.000% *  0.2719% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 115.5:
    * O T HG2   MET   96 - HA    MET   96   2.68 +/- 0.30  99.998% * 99.8313% (0.98   4.44 115.51) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  18.09 +/- 0.83   0.002% *  0.1687% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HA    MET   96   2.95 +/- 0.39  99.983% * 98.8561% (0.59   4.44 115.51) = 100.000%  kept
          HB3   ASP-  62 - HA    MET   96  14.85 +/- 0.55   0.008% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.48 +/- 0.59   0.005% *  0.2041% (0.27   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  20.10 +/- 0.97   0.001% *  0.6130% (0.82   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    MET   96  18.22 +/- 0.78   0.003% *  0.1634% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 115.5:
    * O T HA    MET   96 - HB2   MET   96   3.06 +/- 0.01  99.695% * 99.9092% (0.98   5.00 115.51) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.05 +/- 0.17   0.305% *  0.0908% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 115.5:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.998% * 98.9690% (1.00   5.00 115.51) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.26 +/- 0.29   0.001% *  0.3170% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  21.33 +/- 2.10   0.000% *  0.3434% (0.87   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.52 +/- 0.37   0.000% *  0.0987% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  29.86 +/- 2.40   0.000% *  0.2719% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 115.5:
    * O T HG2   MET   96 - HB2   MET   96   2.91 +/- 0.22  99.998% * 99.8313% (1.00   4.44 115.51) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  18.67 +/- 0.83   0.002% *  0.1687% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 115.5:
    * O T HG3   MET   96 - HB2   MET   96   2.58 +/- 0.21  99.995% * 98.8561% (0.61   4.44 115.51) = 100.000%  kept
          HG2   GLU-  36 - HB2   MET   96  18.24 +/- 1.00   0.001% *  0.6130% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.74 +/- 0.43   0.002% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   MET   96  16.87 +/- 0.56   0.001% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.73 +/- 0.58   0.001% *  0.2041% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 115.5:
    * O T HA    MET   96 - HB3   MET   96   2.59 +/- 0.05  99.961% * 99.9092% (0.98   5.00 115.51) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.59 +/- 0.18   0.039% *  0.0908% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 115.5:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  99.990% * 98.5022% (1.00   5.00 115.51) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   8.32 +/- 0.38   0.009% *  0.1620% (0.41   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  13.29 +/- 0.40   0.001% *  0.3011% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  14.76 +/- 0.46   0.000% *  0.2549% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  16.08 +/- 0.72   0.000% *  0.2861% (0.73   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  17.20 +/- 0.69   0.000% *  0.2706% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  18.46 +/- 0.52   0.000% *  0.2231% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 115.5:
    * O T HG2   MET   96 - HB3   MET   96   2.61 +/- 0.25  99.999% * 99.8313% (1.00   4.44 115.51) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  17.75 +/- 0.88   0.001% *  0.1687% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HB3   MET   96   2.94 +/- 0.18  99.988% * 98.8561% (0.61   4.44 115.51) = 100.000%  kept
          HG2   GLU-  36 - HB3   MET   96  19.80 +/- 0.95   0.001% *  0.6130% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB3   MET   96  15.93 +/- 0.69   0.004% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  16.16 +/- 0.45   0.004% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.10 +/- 0.61   0.002% *  0.2041% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 115.5:
    * O T HA    MET   96 - HG2   MET   96   2.68 +/- 0.30  99.949% * 99.7361% (0.98   4.44 115.51) = 100.000%  kept
          HA    PHE   72 - HG2   MET   96  10.33 +/- 0.53   0.049% *  0.1020% (0.22   0.02   0.02) =   0.000%
        T HA    MET   96 - HB2   PRO   52  18.09 +/- 0.83   0.002% *  0.1319% (0.29   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  20.90 +/- 0.62   0.001% *  0.0300% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 1.0, support = 4.44, residual support = 115.5:
    * O T HB2   MET   96 - HG2   MET   96   2.91 +/- 0.22  99.540% * 97.7069% (1.00   4.44 115.51) =  99.999%  kept
          HB2   ASP- 105 - HG2   MET   96   7.48 +/- 0.59   0.427% *  0.1809% (0.41   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   MET   96  13.27 +/- 0.59   0.012% *  0.3362% (0.76   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.28 +/- 0.99   0.008% *  0.3195% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  17.04 +/- 0.47   0.003% *  0.2846% (0.65   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  18.07 +/- 0.92   0.002% *  0.3022% (0.69   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  15.86 +/- 0.80   0.004% *  0.0836% (0.19   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  19.43 +/- 0.55   0.001% *  0.2491% (0.57   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  18.67 +/- 0.83   0.002% *  0.1292% (0.29   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  19.83 +/- 0.73   0.001% *  0.0531% (0.12   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  22.10 +/- 0.91   0.001% *  0.0888% (0.20   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  23.93 +/- 0.57   0.000% *  0.0988% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  28.37 +/- 0.76   0.000% *  0.0732% (0.17   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  32.35 +/- 1.20   0.000% *  0.0939% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 115.5:
    * O T HB3   MET   96 - HG2   MET   96   2.61 +/- 0.25  99.338% * 98.3772% (1.00   4.44 115.51) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.29 +/- 0.51   0.641% *  0.0324% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.67 +/- 0.69   0.019% *  0.3547% (0.80   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  17.75 +/- 0.88   0.001% *  0.1301% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  23.45 +/- 2.00   0.000% *  0.3843% (0.87   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.39 +/- 0.49   0.000% *  0.1105% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  31.83 +/- 2.35   0.000% *  0.3043% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  26.42 +/- 0.83   0.000% *  0.1042% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  31.11 +/- 2.02   0.000% *  0.1129% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  38.83 +/- 2.52   0.000% *  0.0894% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 115.5:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  99.999% * 98.2230% (0.61   4.00 115.51) = 100.000%  kept
          HG2   GLU-  36 - HG2   MET   96  18.84 +/- 0.99   0.000% *  0.6763% (0.84   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  13.94 +/- 0.91   0.000% *  0.0661% (0.08   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  17.21 +/- 0.62   0.000% *  0.1803% (0.22   0.02   0.02) =   0.000%
          HB3   TRP   87 - HG2   MET   96  17.45 +/- 0.95   0.000% *  0.1803% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.96 +/- 0.81   0.000% *  0.2251% (0.28   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  16.80 +/- 0.57   0.000% *  0.0530% (0.07   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  20.40 +/- 0.87   0.000% *  0.1443% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  19.14 +/- 1.32   0.000% *  0.0530% (0.07   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  35.49 +/- 1.58   0.000% *  0.1987% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.55 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 = 115.5:
    * O T HA    MET   96 - HG3   MET   96   2.95 +/- 0.39  99.871% * 99.8978% (0.59   4.44 115.51) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96   9.54 +/- 0.54   0.129% *  0.1022% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 115.5:
    * O T HB2   MET   96 - HG3   MET   96   2.58 +/- 0.21  99.773% * 98.3170% (0.61   4.44 115.51) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   7.62 +/- 0.65   0.209% *  0.1820% (0.25   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  12.46 +/- 0.66   0.009% *  0.3383% (0.46   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  13.48 +/- 0.78   0.006% *  0.3215% (0.44   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  16.99 +/- 0.67   0.001% *  0.2864% (0.39   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  17.40 +/- 0.65   0.001% *  0.3041% (0.42   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  18.91 +/- 0.93   0.001% *  0.2506% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 115.5:
    * O T HB3   MET   96 - HG3   MET   96   2.94 +/- 0.18  99.949% * 98.8408% (0.61   4.44 115.51) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  10.81 +/- 0.71   0.050% *  0.3564% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  22.56 +/- 2.22   0.001% *  0.3861% (0.53   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.60 +/- 0.33   0.001% *  0.1110% (0.15   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  30.88 +/- 2.64   0.000% *  0.3057% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 115.5:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00 100.000% * 99.8127% (0.61   4.00 115.51) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  20.40 +/- 0.87   0.000% *  0.1873% (0.23   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 62.6:
    * O T HB2   PHE   97 - HA    PHE   97   3.07 +/- 0.01  99.283% * 98.0626% (1.00   2.89  62.58) =  99.997%  kept
          QE    LYS+  99 - HA    PHE   97   7.63 +/- 0.40   0.445% *  0.2786% (0.41   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    PHE   97   8.77 +/- 0.61   0.201% *  0.4921% (0.73   0.02  12.36) =   0.001%
          HB3   TRP   27 - HA    PHE   97  12.65 +/- 0.59   0.021% *  0.6761% (1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  11.37 +/- 0.36   0.039% *  0.3565% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.23 +/- 0.60   0.010% *  0.1341% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 62.6:
    * O T HB3   PHE   97 - HA    PHE   97   2.65 +/- 0.04  99.976% * 98.4072% (0.95   3.44  62.58) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  10.99 +/- 0.52   0.020% *  0.4392% (0.73   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  16.77 +/- 0.49   0.002% *  0.5052% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  17.95 +/- 0.24   0.001% *  0.5424% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  16.81 +/- 0.66   0.002% *  0.1059% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 62.6:
    * O T HA    PHE   97 - HB2   PHE   97   3.07 +/- 0.01 100.000% *100.0000% (1.00   2.89  62.58) = 100.000%  kept
    Distance limit 4.21 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 = 62.6:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.998% * 98.3470% (0.95   3.31  62.58) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.38 +/- 0.88   0.001% *  0.4558% (0.73   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.84 +/- 0.42   0.000% *  0.5243% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  18.11 +/- 0.28   0.000% *  0.5630% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  18.95 +/- 0.69   0.000% *  0.1099% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 62.6:
    * O T HA    PHE   97 - HB3   PHE   97   2.65 +/- 0.04 100.000% *100.0000% (0.95   3.44  62.58) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  99.950% * 98.3030% (0.95   3.31  62.58) = 100.000%  kept
          QE    LYS+  99 - HB3   PHE   97   6.79 +/- 0.59   0.037% *  0.2440% (0.39   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB3   PHE   97   8.37 +/- 0.89   0.011% *  0.4310% (0.69   0.02  12.36) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.42 +/- 0.38   0.001% *  0.3123% (0.50   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  15.23 +/- 0.57   0.000% *  0.5922% (0.94   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.14 +/- 0.65   0.000% *  0.1175% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 78.9:
    * O T QB    LEU   98 - HA    LEU   98   2.17 +/- 0.05  99.957% * 97.0778% (0.87   4.97  78.90) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  10.84 +/- 1.28   0.008% *  0.4499% (1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.91 +/- 0.37   0.022% *  0.0890% (0.20   0.02   0.43) =   0.000%
          HB3   LEU   67 - HA    LEU   98  11.82 +/- 0.35   0.004% *  0.0890% (0.20   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  11.57 +/- 0.83   0.005% *  0.0694% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  16.87 +/- 0.32   0.000% *  0.4489% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.61 +/- 0.85   0.001% *  0.2729% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.38 +/- 0.19   0.001% *  0.2367% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.97 +/- 1.29   0.001% *  0.1122% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.34 +/- 0.24   0.001% *  0.1389% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  21.60 +/- 1.19   0.000% *  0.4342% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  22.02 +/- 2.28   0.000% *  0.2729% (0.61   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  20.55 +/- 1.34   0.000% *  0.2190% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.35 +/- 0.28   0.000% *  0.0890% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.935, support = 4.52, residual support = 72.1:
    *   T QD1   LEU   98 - HA    LEU   98   2.95 +/- 0.39  69.805% * 80.4052% (1.00   4.62  78.90) =  90.557%  kept
          QD2   LEU  104 - HA    LEU   98   3.57 +/- 0.69  30.178% * 19.3953% (0.31   3.61   6.99) =   9.443%  kept
          QG2   ILE   19 - HA    LEU   98  12.92 +/- 0.41   0.011% *  0.1307% (0.38   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.09 +/- 0.39   0.006% *  0.0689% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.959, support = 4.15, residual support = 75.7:
    *   T QD2   LEU   98 - HA    LEU   98   3.94 +/- 0.19  88.316% * 74.9429% (1.00   4.33  78.90) =  95.938%  kept
          QG2   VAL   41 - HA    LEU   98   5.62 +/- 0.36  11.405% * 24.5684% (0.95   1.50  27.91) =   4.061%
          QD2   LEU   63 - HA    LEU   98  10.64 +/- 0.89   0.270% *  0.1424% (0.41   0.02   0.02) =   0.001%
        T QD1   LEU   80 - HA    LEU   98  18.79 +/- 1.47   0.009% *  0.3463% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 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 = 78.9:
    * O T HA    LEU   98 - QB    LEU   98   2.17 +/- 0.05 100.000% *100.0000% (0.87   4.97  78.90) = 100.000%  kept
    Distance limit 3.58 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 = 0.867, support = 3.65, residual support = 78.9:
    * O T QD1   LEU   98 - QB    LEU   98   2.15 +/- 0.17  98.609% * 99.5186% (0.87   3.65  78.90) =  99.998%  kept
          QD2   LEU  104 - QB    LEU   98   4.83 +/- 0.61   1.378% *  0.1685% (0.27   0.02   6.99) =   0.002%
        T QG2   ILE   19 - QB    LEU   98  10.46 +/- 0.39   0.009% *  0.2049% (0.33   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  11.54 +/- 0.37   0.005% *  0.1080% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.867, support = 3.38, residual support = 78.9:
    * O T QD2   LEU   98 - QB    LEU   98   2.02 +/- 0.07  95.882% * 98.6253% (0.87   3.38  78.90) =  99.976%  kept
        T QG2   VAL   41 - QB    LEU   98   3.60 +/- 0.47   4.112% *  0.5517% (0.82   0.02  27.91) =   0.024%
          QD2   LEU   63 - QB    LEU   98  10.53 +/- 0.79   0.005% *  0.2398% (0.36   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QB    LEU   98  15.38 +/- 1.22   0.001% *  0.5832% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 4.62, residual support = 78.9:
    *   T HA    LEU   98 - QD1   LEU   98   2.95 +/- 0.39 100.000% *100.0000% (1.00   4.62  78.90) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.65, residual support = 78.9:
    * O T QB    LEU   98 - QD1   LEU   98   2.15 +/- 0.17  99.809% * 96.0552% (0.87   3.65  78.90) = 100.000%  kept
          HB    VAL   42 - QD1   LEU   98   7.74 +/- 1.27   0.103% *  0.1202% (0.20   0.02   0.43) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  10.69 +/- 1.11   0.010% *  0.6074% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   8.46 +/- 1.38   0.055% *  0.0937% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  13.04 +/- 1.41   0.003% *  0.6060% (1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  12.88 +/- 1.29   0.003% *  0.3196% (0.53   0.02   0.02) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  13.71 +/- 1.27   0.002% *  0.3684% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  11.38 +/- 0.90   0.007% *  0.1202% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  15.57 +/- 1.40   0.001% *  0.5862% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  12.62 +/- 1.08   0.003% *  0.1515% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  13.73 +/- 1.16   0.002% *  0.1875% (0.31   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  14.73 +/- 1.50   0.001% *  0.2956% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.90 +/- 2.21   0.000% *  0.3684% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  16.86 +/- 1.17   0.001% *  0.1202% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 78.9:
    * O T QD2   LEU   98 - QD1   LEU   98   2.04 +/- 0.07  96.599% * 98.2866% (1.00   2.70  78.90) =  99.975%  kept
          QG2   VAL   41 - QD1   LEU   98   4.23 +/- 0.75   3.389% *  0.6876% (0.95   0.02  27.91) =   0.025%
          QD2   LEU   63 - QD1   LEU   98   9.82 +/- 1.11   0.010% *  0.2989% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD1   LEU   98  13.67 +/- 1.51   0.001% *  0.7269% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 4.33, residual support = 78.9:
    *   T HA    LEU   98 - QD2   LEU   98   3.94 +/- 0.19  99.990% * 99.7358% (1.00   4.33  78.90) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  18.79 +/- 1.47   0.010% *  0.2642% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.00 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 = 0.711, support = 3.51, residual support = 80.3:
    * O T QB    LEU   98 - QD2   LEU   98   2.02 +/- 0.07  46.875% * 46.7461% (0.87   3.38  78.90) =  65.310%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.41 +/- 0.18  17.333% * 34.0094% (0.55   3.86  83.03) =  17.570%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.01  35.688% * 16.0950% (0.28   3.62  83.03) =  17.120%  kept
          HB    VAL   42 - QD2   LEU   98   7.02 +/- 1.04   0.042% *  0.0631% (0.20   0.02   0.43) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   6.91 +/- 1.03   0.045% *  0.0492% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  11.76 +/- 1.05   0.001% *  0.3180% (1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  12.03 +/- 1.15   0.001% *  0.3187% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  11.95 +/- 1.25   0.001% *  0.1933% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   80  12.66 +/- 1.50   0.001% *  0.1823% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.61 +/- 1.11   0.003% *  0.0795% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  10.88 +/- 0.78   0.002% *  0.0631% (0.20   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.36 +/- 0.92   0.001% *  0.1677% (0.53   0.02   0.02) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  14.77 +/- 0.99   0.000% *  0.3076% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  13.74 +/- 1.16   0.001% *  0.1551% (0.49   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.38 +/- 0.91   0.001% *  0.0984% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.57 +/- 1.80   0.001% *  0.0961% (0.30   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  17.46 +/- 2.29   0.000% *  0.1933% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80  12.31 +/- 1.42   0.002% *  0.0282% (0.09   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  15.38 +/- 1.22   0.000% *  0.1585% (0.50   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  16.89 +/- 1.13   0.000% *  0.1108% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.14 +/- 0.95   0.000% *  0.0631% (0.20   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  17.12 +/- 1.63   0.000% *  0.0564% (0.18   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  17.27 +/- 1.64   0.000% *  0.0362% (0.11   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  22.29 +/- 2.25   0.000% *  0.1108% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  18.71 +/- 0.83   0.000% *  0.0456% (0.14   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  24.39 +/- 2.11   0.000% *  0.1827% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  22.32 +/- 1.74   0.000% *  0.0362% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  22.92 +/- 2.04   0.000% *  0.0362% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 1.0, support = 2.7, residual support = 78.9:
    * O T QD1   LEU   98 - QD2   LEU   98   2.04 +/- 0.07  99.804% * 98.5707% (1.00   2.70  78.90) = 100.000%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.15 +/- 0.58   0.161% *  0.2250% (0.31   0.02   6.99) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   8.69 +/- 0.80   0.020% *  0.2736% (0.38   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98   9.84 +/- 0.76   0.009% *  0.1443% (0.20   0.02   0.02) =   0.000%
        T QD1   LEU   98 - QD1   LEU   80  13.67 +/- 1.51   0.002% *  0.4179% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80  11.77 +/- 0.81   0.003% *  0.1568% (0.22   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  13.29 +/- 0.69   0.001% *  0.0827% (0.11   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  18.69 +/- 1.50   0.000% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 1.0, support = 6.44, residual support = 169.8:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.08 +/- 0.41  93.549% * 98.2978% (1.00   6.44 169.85) =  99.987%  kept
          QG2   THR   39 - HA    LYS+  99   5.41 +/- 0.57   5.744% *  0.1974% (0.65   0.02   0.02) =   0.012%
        T HG3   LYS+  38 - HA    LYS+  99   7.58 +/- 1.14   0.597% *  0.1145% (0.38   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99  10.30 +/- 0.64   0.088% *  0.3024% (0.99   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  14.13 +/- 0.76   0.013% *  0.2886% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  18.11 +/- 0.79   0.003% *  0.3044% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  20.77 +/- 1.12   0.001% *  0.1974% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.64 +/- 0.42   0.003% *  0.0679% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  22.59 +/- 0.63   0.001% *  0.1041% (0.34   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  25.94 +/- 0.76   0.000% *  0.1254% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.492, support = 6.0, residual support = 169.8:
      O T HB3   LYS+  99 - HA    LYS+  99   2.48 +/- 0.20  93.566% * 29.5296% (0.41   6.03 169.85) =  86.295%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   4.02 +/- 0.20   6.333% * 69.2925% (1.00   5.82 169.85) =  13.705%  kept
          QD    LYS+ 102 - HA    LYS+  99   8.25 +/- 0.40   0.080% *  0.0530% (0.22   0.02   0.43) =   0.000%
        T QD    LYS+ 106 - HA    LYS+  99  11.78 +/- 0.68   0.010% *  0.2377% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  11.66 +/- 0.82   0.010% *  0.2200% (0.92   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  16.80 +/- 0.33   0.001% *  0.1254% (0.53   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  18.59 +/- 0.37   0.001% *  0.0980% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  21.57 +/- 0.74   0.000% *  0.1908% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.31 +/- 0.88   0.000% *  0.1637% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.67 +/- 0.43   0.000% *  0.0894% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 1.0, support = 7.08, residual support = 169.8:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.67 +/- 0.31  94.094% * 98.2876% (1.00   7.08 169.85) =  99.995%  kept
          HG    LEU   98 - HA    LYS+  99   5.58 +/- 1.25   5.621% *  0.0618% (0.22   0.02  16.31) =   0.004%
        T HG2   LYS+  38 - HA    LYS+  99   7.51 +/- 0.78   0.251% *  0.2722% (0.98   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LYS+  99  11.28 +/- 0.49   0.020% *  0.2319% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  14.35 +/- 0.45   0.005% *  0.1572% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  14.96 +/- 0.53   0.004% *  0.1245% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  16.46 +/- 0.89   0.002% *  0.0857% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.22 +/- 0.22   0.002% *  0.0947% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  21.49 +/- 0.77   0.000% *  0.2490% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  22.55 +/- 0.94   0.000% *  0.1907% (0.69   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  25.83 +/- 0.54   0.000% *  0.2016% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  21.55 +/- 0.34   0.000% *  0.0428% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 169.8:
    *   T QE    LYS+  99 - HA    LYS+  99   4.01 +/- 0.22  96.253% * 99.1324% (1.00   5.58 169.85) =  99.991%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.47 +/- 0.75   1.317% *  0.3185% (0.90   0.02   0.02) =   0.004%
        T QE    LYS+ 102 - HA    LYS+  99   8.80 +/- 0.34   0.945% *  0.2439% (0.69   0.02   0.43) =   0.002%
          HB2   PHE   97 - HA    LYS+  99   8.15 +/- 0.11   1.443% *  0.1460% (0.41   0.02   0.02) =   0.002%
          HB3   TRP   27 - HA    LYS+  99  14.74 +/- 0.61   0.042% *  0.1592% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 1.0, support = 7.0, residual support = 169.8:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.97 +/- 0.14  77.121% * 98.7202% (1.00   7.00 169.85) =  99.978%  kept
          HA    LEU   40 - HB2   LYS+  99   3.76 +/- 0.56  22.730% *  0.0703% (0.25   0.02  15.55) =   0.021%
          HA    ASN   35 - HB2   LYS+  99   8.64 +/- 0.41   0.139% *  0.2722% (0.97   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  15.37 +/- 0.50   0.004% *  0.2447% (0.87   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  20.69 +/- 0.59   0.001% *  0.2668% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.14 +/- 0.67   0.002% *  0.0703% (0.25   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  22.39 +/- 0.69   0.000% *  0.2356% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  17.04 +/- 1.25   0.003% *  0.0382% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  21.24 +/- 0.66   0.001% *  0.0435% (0.15   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  22.16 +/- 1.60   0.001% *  0.0382% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 1.0, support = 6.44, residual support = 169.8:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.56 +/- 0.26  99.243% * 98.2959% (1.00   6.44 169.85) =  99.999%  kept
          QG2   THR   39 - HB2   LYS+  99   6.58 +/- 0.71   0.666% *  0.1976% (0.65   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HB2   LYS+  99   9.35 +/- 0.91   0.075% *  0.1146% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  12.30 +/- 0.91   0.011% *  0.3027% (0.99   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  16.00 +/- 1.01   0.002% *  0.2889% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  19.35 +/- 1.05   0.001% *  0.3048% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.53 +/- 0.54   0.001% *  0.0680% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  21.17 +/- 1.04   0.000% *  0.1976% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  21.64 +/- 0.52   0.000% *  0.1042% (0.34   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  26.90 +/- 0.55   0.000% *  0.1256% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.572, support = 5.1, residual support = 169.8:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  88.257% * 25.7238% (0.41   4.88 169.85) =  72.621%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.51 +/- 0.24  11.724% * 73.0085% (1.00   5.69 169.85) =  27.379%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.52 +/- 0.62   0.016% *  0.0571% (0.22   0.02   0.43) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  10.78 +/- 0.62   0.002% *  0.2559% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  13.46 +/- 0.87   0.000% *  0.2367% (0.92   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  16.52 +/- 0.53   0.000% *  0.1349% (0.53   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  16.54 +/- 0.41   0.000% *  0.1054% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  21.81 +/- 0.79   0.000% *  0.2053% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.07 +/- 0.79   0.000% *  0.1761% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  22.71 +/- 0.48   0.000% *  0.0962% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 1.0, support = 7.08, residual support = 169.8:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.94 +/- 0.20  98.640% * 98.2869% (1.00   7.08 169.85) =  99.999%  kept
          HG    LEU   98 - HB2   LYS+  99   6.74 +/- 0.92   1.217% *  0.0618% (0.22   0.02  16.31) =   0.001%
          HG2   LYS+  38 - HB2   LYS+  99   9.35 +/- 0.57   0.106% *  0.2723% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  14.02 +/- 0.56   0.009% *  0.2320% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  13.87 +/- 0.72   0.010% *  0.1573% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  14.42 +/- 0.87   0.008% *  0.0857% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.55 +/- 0.74   0.005% *  0.1245% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  20.47 +/- 0.67   0.001% *  0.2491% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  17.96 +/- 0.36   0.002% *  0.0948% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  24.31 +/- 1.17   0.000% *  0.1908% (0.69   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  26.50 +/- 0.46   0.000% *  0.2017% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  22.64 +/- 0.58   0.001% *  0.0429% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 1.0, support = 5.32, residual support = 169.8:
    *     QE    LYS+  99 - HB2   LYS+  99   3.68 +/- 0.55  96.040% * 99.0892% (1.00   5.32 169.85) =  99.991%  kept
          HB2   PHE   97 - HB2   LYS+  99   7.04 +/- 0.41   2.325% *  0.1533% (0.41   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HB2   LYS+  99   8.10 +/- 0.52   1.158% *  0.2561% (0.69   0.02   0.43) =   0.003%
          QE    LYS+  38 - HB2   LYS+  99   9.63 +/- 0.68   0.465% *  0.3343% (0.90   0.02   0.02) =   0.002%
          HB3   TRP   27 - HB2   LYS+  99  16.95 +/- 0.79   0.013% *  0.1671% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 169.8:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.08 +/- 0.41  71.627% * 97.7662% (1.00   6.44 169.85) =  99.972%  kept
          HA    LEU   40 - HG3   LYS+  99   3.93 +/- 0.87  21.627% *  0.0757% (0.25   0.02  15.55) =   0.023%
          HA    ASN   35 - HG3   LYS+  38   5.06 +/- 0.77   5.689% *  0.0306% (0.10   0.02   0.02) =   0.002%
          HA    ASN   35 - HG3   LYS+  99   7.63 +/- 0.62   0.361% *  0.2929% (0.97   0.02   0.02) =   0.002%
        T HA    LYS+  99 - HG3   LYS+  38   7.58 +/- 1.14   0.443% *  0.0317% (0.10   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.76 +/- 0.53   0.187% *  0.0079% (0.03   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  16.23 +/- 0.53   0.004% *  0.2632% (0.87   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  16.37 +/- 2.56   0.043% *  0.0043% (0.01   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  22.43 +/- 0.66   0.001% *  0.2871% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  16.38 +/- 1.62   0.004% *  0.0411% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  20.25 +/- 0.49   0.001% *  0.1164% (0.38   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.65 +/- 0.71   0.001% *  0.0757% (0.25   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  24.50 +/- 0.72   0.000% *  0.2535% (0.84   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  21.07 +/- 1.79   0.001% *  0.0411% (0.14   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  24.56 +/- 1.13   0.000% *  0.1028% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  25.94 +/- 0.76   0.000% *  0.1231% (0.41   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  22.49 +/- 0.78   0.001% *  0.0468% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  26.69 +/- 1.21   0.000% *  0.1188% (0.39   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  22.24 +/- 1.03   0.001% *  0.0275% (0.09   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  19.83 +/- 3.46   0.005% *  0.0043% (0.01   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  24.00 +/- 0.39   0.000% *  0.0307% (0.10   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  25.97 +/- 0.68   0.000% *  0.0307% (0.10   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  24.34 +/- 0.36   0.000% *  0.0190% (0.06   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  32.84 +/- 0.46   0.000% *  0.1068% (0.35   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  27.65 +/- 1.50   0.000% *  0.0300% (0.10   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  25.11 +/- 1.50   0.000% *  0.0079% (0.03   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  31.03 +/- 1.10   0.000% *  0.0265% (0.09   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  29.98 +/- 1.18   0.000% *  0.0167% (0.05   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  27.09 +/- 1.76   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  35.64 +/- 2.02   0.000% *  0.0167% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 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 = 0.908, support = 4.82, residual support = 174.4:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.81 +/- 0.48  42.126% * 90.9542% (1.00   4.88 169.85) =  89.858%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.66 +/- 0.39  57.537% *  7.5149% (0.09   4.31 214.56) =  10.140%  kept
        T QE    LYS+  38 - HG3   LYS+  99   7.94 +/- 1.04   0.092% *  0.3344% (0.90   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG3   LYS+  99   9.12 +/- 0.84   0.059% *  0.2562% (0.69   0.02   0.43) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   9.30 +/- 0.35   0.036% *  0.1533% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  38   7.51 +/- 0.67   0.133% *  0.0389% (0.10   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.37 +/- 2.35   0.012% *  0.0267% (0.07   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  17.42 +/- 0.83   0.001% *  0.1672% (0.45   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  17.24 +/- 1.38   0.001% *  0.0678% (0.18   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  15.45 +/- 1.06   0.002% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.72 +/- 1.33   0.001% *  0.0174% (0.05   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  23.49 +/- 1.09   0.000% *  0.1039% (0.28   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  21.84 +/- 0.43   0.000% *  0.0622% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  25.89 +/- 0.65   0.000% *  0.1512% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  29.57 +/- 1.07   0.000% *  0.1356% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.924, support = 5.36, residual support = 154.2:
    *   T HA    LYS+  99 - QD    LYS+  99   4.02 +/- 0.20  33.303% * 92.0028% (1.00   5.82 169.85) =  89.868%  kept
          HA    LEU   40 - QD    LYS+  99   3.56 +/- 0.57  66.014% *  5.2301% (0.25   1.33  15.55) =  10.127%  kept
          HA    ASN   35 - QD    LYS+  99   8.48 +/- 0.35   0.417% *  0.3053% (0.97   0.02   0.02) =   0.004%
        T HA    LYS+  99 - QD    LYS+ 106  11.78 +/- 0.68   0.059% *  0.2547% (0.81   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+  99  12.54 +/- 0.55   0.041% *  0.2744% (0.87   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  13.86 +/- 1.42   0.028% *  0.2128% (0.67   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+ 106  15.25 +/- 0.74   0.014% *  0.2410% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  12.34 +/- 0.59   0.045% *  0.0635% (0.20   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  15.61 +/- 1.00   0.011% *  0.2458% (0.78   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  16.91 +/- 0.81   0.008% *  0.2210% (0.70   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  18.95 +/- 0.55   0.003% *  0.2993% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  15.28 +/- 0.80   0.014% *  0.0635% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  14.27 +/- 1.11   0.020% *  0.0428% (0.14   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  16.17 +/- 0.57   0.008% *  0.0789% (0.25   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  20.61 +/- 0.82   0.002% *  0.2643% (0.84   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  18.49 +/- 1.26   0.004% *  0.0428% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  18.84 +/- 0.56   0.003% *  0.0488% (0.15   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  18.69 +/- 0.64   0.004% *  0.0393% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  22.34 +/- 0.85   0.001% *  0.0345% (0.11   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  27.61 +/- 1.23   0.000% *  0.0345% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 169.8:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.43 +/- 0.16  99.632% * 96.0892% (1.00   5.87 169.85) =  99.999%  kept
          HG2   LYS+  38 - QD    LYS+  99   8.21 +/- 0.53   0.075% *  0.3211% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   7.94 +/- 0.87   0.121% *  0.0729% (0.22   0.02  16.31) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 106   9.77 +/- 1.20   0.034% *  0.2366% (0.72   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.69 +/- 1.34   0.090% *  0.0587% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  12.25 +/- 0.63   0.007% *  0.1855% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  13.12 +/- 0.64   0.005% *  0.2638% (0.81   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  13.69 +/- 0.48   0.003% *  0.2737% (0.84   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  12.09 +/- 0.86   0.008% *  0.1011% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  12.56 +/- 0.44   0.006% *  0.0900% (0.27   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  13.83 +/- 0.59   0.003% *  0.1493% (0.46   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  13.52 +/- 0.49   0.004% *  0.1183% (0.36   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  14.61 +/- 0.90   0.003% *  0.1469% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.64 +/- 1.05   0.001% *  0.2203% (0.67   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  14.14 +/- 1.05   0.003% *  0.0814% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  17.77 +/- 1.01   0.001% *  0.2586% (0.79   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106  17.74 +/- 0.63   0.001% *  0.1916% (0.58   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  19.62 +/- 0.82   0.000% *  0.2938% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  19.08 +/- 1.80   0.001% *  0.1812% (0.55   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  17.23 +/- 0.39   0.001% *  0.1118% (0.34   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  16.33 +/- 1.06   0.001% *  0.0407% (0.12   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  23.33 +/- 0.91   0.000% *  0.2251% (0.69   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  25.24 +/- 0.36   0.000% *  0.2379% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  21.63 +/- 0.48   0.000% *  0.0506% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 1.0, support = 5.27, residual support = 169.8:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.29 +/- 0.15  98.634% * 96.0381% (1.00   5.27 169.85) =  99.997%  kept
          QG2   THR   39 - QD    LYS+  99   5.01 +/- 0.57   1.258% *  0.2357% (0.65   0.02   0.02) =   0.003%
        T HG3   LYS+  38 - QD    LYS+  99   8.13 +/- 0.62   0.066% *  0.1367% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  10.69 +/- 0.88   0.012% *  0.3611% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  12.82 +/- 0.70   0.003% *  0.2933% (0.81   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  11.20 +/- 1.13   0.010% *  0.1000% (0.27   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  14.16 +/- 0.87   0.002% *  0.3446% (0.95   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  14.06 +/- 1.48   0.003% *  0.1897% (0.52   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  13.63 +/- 0.64   0.002% *  0.1897% (0.52   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  12.34 +/- 0.51   0.005% *  0.0653% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  17.40 +/- 0.69   0.001% *  0.2927% (0.80   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  18.00 +/- 0.75   0.000% *  0.3635% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  18.14 +/- 0.61   0.000% *  0.2907% (0.80   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.76 +/- 0.61   0.000% *  0.2775% (0.76   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  16.33 +/- 0.54   0.001% *  0.0811% (0.22   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106  17.76 +/- 1.10   0.001% *  0.1206% (0.33   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  17.80 +/- 1.28   0.001% *  0.1101% (0.30   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  20.12 +/- 0.82   0.000% *  0.2357% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  20.59 +/- 0.72   0.000% *  0.1243% (0.34   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  25.90 +/- 0.41   0.000% *  0.1498% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 1.0, support = 4.56, residual support = 169.8:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  99.721% * 97.7626% (1.00   4.56 169.85) =  99.999%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.52 +/- 0.41   0.119% *  0.1420% (0.33   0.02  12.36) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   7.88 +/- 1.01   0.059% *  0.2373% (0.55   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  99   8.18 +/- 0.71   0.034% *  0.3847% (0.90   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.61 +/- 0.37   0.045% *  0.1764% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  99   8.98 +/- 0.68   0.018% *  0.2947% (0.69   0.02   0.43) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  12.30 +/- 0.77   0.003% *  0.3454% (0.81   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.07 +/- 0.90   0.000% *  0.3098% (0.72   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.20 +/- 0.63   0.000% *  0.1923% (0.45   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  17.10 +/- 0.93   0.000% *  0.1549% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.647, support = 4.56, residual support = 97.3:
    *   T HA    LYS+  99 - QE    LYS+  99   4.01 +/- 0.22  14.273% * 84.2984% (1.00   5.58 169.85) =  52.974%  kept
          HA    LEU   40 - QE    LYS+  99   2.95 +/- 0.41  83.327% * 12.8151% (0.25   3.40  15.55) =  47.015%  kept
          HA    ASN   35 - QE    LYS+  38   6.41 +/- 0.78   1.274% *  0.0786% (0.26   0.02   0.02) =   0.004%
          HA    ASN   35 - QE    LYS+  99   7.76 +/- 0.69   0.313% *  0.2914% (0.97   0.02   0.02) =   0.004%
        T HA    LYS+  99 - QE    LYS+ 102   8.80 +/- 0.34   0.152% *  0.2059% (0.68   0.02   0.43) =   0.001%
        T HA    LYS+  99 - QE    LYS+  38   8.47 +/- 0.75   0.193% *  0.0815% (0.27   0.02   0.02) =   0.001%
          HA    ASN   35 - QE    LYS+ 102  11.45 +/- 1.02   0.037% *  0.1988% (0.66   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  99  12.51 +/- 0.48   0.019% *  0.2619% (0.87   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  16.09 +/- 2.78   0.233% *  0.0110% (0.04   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.77 +/- 0.37   0.044% *  0.0514% (0.17   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   9.58 +/- 0.48   0.089% *  0.0203% (0.07   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  12.66 +/- 1.38   0.016% *  0.0409% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  18.78 +/- 0.53   0.002% *  0.2857% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  15.91 +/- 0.60   0.004% *  0.0753% (0.25   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  19.65 +/- 0.70   0.001% *  0.1786% (0.59   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  21.13 +/- 0.63   0.001% *  0.2522% (0.84   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  18.81 +/- 3.39   0.012% *  0.0110% (0.04   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  16.85 +/- 1.77   0.003% *  0.0409% (0.14   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  21.87 +/- 1.18   0.001% *  0.1720% (0.57   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  22.45 +/- 0.76   0.001% *  0.1948% (0.65   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  20.81 +/- 1.70   0.001% *  0.0707% (0.23   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  18.26 +/- 0.47   0.002% *  0.0466% (0.15   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.31 +/- 0.63   0.001% *  0.0514% (0.17   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  26.44 +/- 1.59   0.000% *  0.0771% (0.26   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  22.58 +/- 1.11   0.000% *  0.0279% (0.09   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  24.04 +/- 1.75   0.001% *  0.0203% (0.07   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.52 +/- 0.55   0.000% *  0.0318% (0.11   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  29.10 +/- 1.28   0.000% *  0.0680% (0.23   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  25.89 +/- 2.09   0.000% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  27.13 +/- 1.67   0.000% *  0.0279% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.599, support = 4.8, residual support = 169.8:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  85.663% * 25.6777% (0.41   4.56 169.85) =  68.043%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.02 +/- 0.48  14.210% * 72.7012% (1.00   5.31 169.85) =  31.957%  kept
        T QD    LYS+ 106 - QE    LYS+ 102   7.88 +/- 1.01   0.052% *  0.0702% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   9.08 +/- 0.57   0.014% *  0.1869% (0.68   0.02   0.43) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.98 +/- 0.68   0.015% *  0.0768% (0.28   0.02   0.43) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.18 +/- 0.71   0.029% *  0.0304% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38   9.64 +/- 0.59   0.010% *  0.0739% (0.27   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  12.30 +/- 0.77   0.002% *  0.1029% (0.38   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  15.29 +/- 0.48   0.001% *  0.2687% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  12.19 +/- 0.74   0.002% *  0.0610% (0.22   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  17.98 +/- 0.70   0.000% *  0.1832% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.47 +/- 0.83   0.000% *  0.0416% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.07 +/- 0.90   0.000% *  0.0278% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.26 +/- 1.09   0.000% *  0.0165% (0.06   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  23.65 +/- 1.22   0.000% *  0.1428% (0.52   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  25.13 +/- 0.62   0.000% *  0.2095% (0.76   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  21.81 +/- 1.33   0.000% *  0.0725% (0.26   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  29.01 +/- 0.86   0.000% *  0.0565% (0.21   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.889, support = 4.63, residual support = 165.3:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.81 +/- 0.48  36.302% * 76.7466% (1.00   4.88 169.85) =  84.356%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.66 +/- 0.39  49.508% *  6.8605% (0.10   4.31 214.56) =  10.284%  kept
          QG2   THR   39 - QE    LYS+  99   3.61 +/- 0.90  13.716% * 12.9026% (0.65   1.27   0.02) =   5.358%  kept
        T HG3   LYS+  38 - QE    LYS+  99   7.51 +/- 0.67   0.099% *  0.1181% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  12.15 +/- 2.20   0.127% *  0.0841% (0.27   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  99   9.21 +/- 1.02   0.034% *  0.3119% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QE    LYS+ 102   9.12 +/- 0.84   0.040% *  0.2146% (0.68   0.02   0.43) =   0.000%
        T HG3   LYS+  99 - QE    LYS+  38   7.94 +/- 1.04   0.077% *  0.0849% (0.27   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  38   7.83 +/- 0.48   0.073% *  0.0549% (0.17   0.02  30.23) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  12.74 +/- 0.87   0.004% *  0.2977% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.37 +/- 2.35   0.010% *  0.0805% (0.26   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.05 +/- 0.81   0.005% *  0.1388% (0.44   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.20 +/- 0.93   0.001% *  0.3140% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  16.07 +/- 2.04   0.002% *  0.0803% (0.26   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  17.57 +/- 0.53   0.001% *  0.2127% (0.68   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.18 +/- 0.47   0.001% *  0.0701% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  20.05 +/- 0.68   0.000% *  0.2036% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  20.63 +/- 0.68   0.000% *  0.2030% (0.65   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  19.98 +/- 1.95   0.000% *  0.1388% (0.44   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  21.75 +/- 0.87   0.000% *  0.2141% (0.68   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.08 +/- 0.57   0.000% *  0.1073% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.47 +/- 0.74   0.000% *  0.0478% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  19.98 +/- 1.22   0.000% *  0.0732% (0.23   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  22.25 +/- 1.55   0.000% *  0.0847% (0.27   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  23.49 +/- 1.09   0.000% *  0.0882% (0.28   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  25.89 +/- 0.65   0.000% *  0.1294% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  24.51 +/- 1.31   0.000% *  0.0549% (0.17   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  22.05 +/- 1.33   0.000% *  0.0189% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  28.12 +/- 1.01   0.000% *  0.0290% (0.09   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  29.57 +/- 1.07   0.000% *  0.0349% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 75.9:
    * O T HB2   GLU- 100 - HA    GLU- 100   3.01 +/- 0.08  96.419% * 98.4204% (1.00   4.26  75.86) =  99.999%  kept
        T HB2   GLU- 100 - HA    LYS+  38   5.71 +/- 1.49   3.196% *  0.0279% (0.06   0.02   0.02) =   0.001%
          HB3   PHE   97 - HA    GLU- 100  10.78 +/- 0.13   0.046% *  0.4140% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100   9.93 +/- 0.83   0.085% *  0.1284% (0.28   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   8.42 +/- 0.56   0.221% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  11.64 +/- 0.58   0.031% *  0.0250% (0.05   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  21.98 +/- 0.98   0.001% *  0.2614% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  26.43 +/- 0.50   0.000% *  0.4525% (0.98   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  27.74 +/- 0.32   0.000% *  0.2070% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  21.24 +/- 0.70   0.001% *  0.0158% (0.03   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  27.14 +/- 0.56   0.000% *  0.0273% (0.06   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.98 +/- 0.68   0.000% *  0.0125% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 75.9:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.41 +/- 0.08  97.740% * 96.9116% (1.00   4.26  75.86) =  99.999%  kept
        T HB3   GLU- 100 - HA    LYS+  38   5.07 +/- 1.65   2.231% *  0.0275% (0.06   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLU- 100  13.73 +/- 0.63   0.003% *  0.4506% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  15.85 +/- 0.68   0.001% *  0.4196% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.52 +/- 0.42   0.009% *  0.0272% (0.06   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  15.54 +/- 1.78   0.002% *  0.1012% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  19.04 +/- 0.57   0.000% *  0.2574% (0.57   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  13.63 +/- 0.44   0.003% *  0.0254% (0.06   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  22.73 +/- 0.38   0.000% *  0.4506% (0.99   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  22.35 +/- 0.45   0.000% *  0.3943% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  12.99 +/- 2.09   0.008% *  0.0061% (0.01   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  21.50 +/- 0.74   0.000% *  0.1012% (0.22   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  24.50 +/- 0.74   0.000% *  0.2213% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.87 +/- 1.38   0.001% *  0.0156% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  25.06 +/- 0.94   0.000% *  0.1264% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.69 +/- 0.42   0.000% *  0.3640% (0.80   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  23.04 +/- 0.49   0.000% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  19.25 +/- 1.26   0.000% *  0.0061% (0.01   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.80 +/- 1.02   0.000% *  0.0238% (0.05   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.56 +/- 0.60   0.000% *  0.0134% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  26.14 +/- 0.96   0.000% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  31.15 +/- 0.53   0.000% *  0.0220% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 4.73, residual support = 75.9:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.91 +/- 0.33  78.394% * 98.1354% (1.00   4.73  75.86) =  99.993%  kept
        T HG2   GLU- 100 - HA    LYS+  38   4.20 +/- 1.54  21.540% *  0.0251% (0.06   0.02   0.02) =   0.007%
          HB2   MET   96 - HA    GLU- 100  13.58 +/- 0.53   0.008% *  0.3014% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  14.88 +/- 0.26   0.004% *  0.3600% (0.87   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  13.04 +/- 0.44   0.010% *  0.1281% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  17.09 +/- 0.62   0.002% *  0.1558% (0.38   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.60 +/- 0.78   0.022% *  0.0077% (0.02   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.66 +/- 0.87   0.001% *  0.1035% (0.25   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.20 +/- 0.77   0.007% *  0.0182% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  25.77 +/- 0.99   0.000% *  0.4113% (0.99   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  16.15 +/- 0.74   0.003% *  0.0218% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  15.14 +/- 0.36   0.004% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.77 +/- 0.87   0.000% *  0.0727% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  26.95 +/- 1.60   0.000% *  0.2020% (0.49   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.46 +/- 1.38   0.003% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  24.98 +/- 0.87   0.000% *  0.0249% (0.06   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.58 +/- 0.54   0.001% *  0.0044% (0.01   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  27.56 +/- 1.89   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.9:
    * O T HA    GLU- 100 - HB2   GLU- 100   3.01 +/- 0.08  96.792% * 98.7897% (1.00   4.26  75.86) =  99.997%  kept
        T HA    LYS+  38 - HB2   GLU- 100   5.71 +/- 1.49   3.208% *  0.1032% (0.22   0.02   0.02) =   0.003%
        T HD2   PRO   58 - HB2   GLU- 100  27.79 +/- 0.63   0.000% *  0.4542% (0.98   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  29.56 +/- 1.31   0.000% *  0.4624% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.39 +/- 0.83   0.000% *  0.1905% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 75.9:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 94.0293% (1.00   2.00  75.86) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.92 +/- 0.74   0.000% *  0.9320% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  18.08 +/- 0.77   0.000% *  0.8680% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  16.89 +/- 1.86   0.000% *  0.2093% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  19.77 +/- 0.51   0.000% *  0.5324% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  21.94 +/- 1.01   0.000% *  0.9320% (0.99   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  21.79 +/- 1.06   0.000% *  0.8156% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.87 +/- 0.47   0.000% *  0.4577% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  22.85 +/- 0.71   0.000% *  0.2093% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  24.32 +/- 1.09   0.000% *  0.2614% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  32.06 +/- 0.56   0.000% *  0.7529% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 3.25, residual support = 75.9:
    * O T HG2   GLU- 100 - HB2   GLU- 100   3.00 +/- 0.05  99.964% * 97.4908% (1.00   3.25  75.86) = 100.000%  kept
          HB2   ASP- 105 - HB2   GLU- 100  13.87 +/- 0.96   0.011% *  0.5207% (0.87   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLU- 100  14.05 +/- 0.44   0.010% *  0.4359% (0.73   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  13.64 +/- 0.43   0.012% *  0.1853% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  19.49 +/- 0.84   0.001% *  0.2253% (0.38   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  19.90 +/- 0.83   0.001% *  0.1497% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  27.14 +/- 0.80   0.000% *  0.5950% (0.99   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  27.28 +/- 1.68   0.000% *  0.2922% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  23.97 +/- 0.91   0.000% *  0.1051% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.9:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.41 +/- 0.08  97.768% * 98.7897% (1.00   4.26  75.86) =  99.998%  kept
        T HA    LYS+  38 - HB3   GLU- 100   5.07 +/- 1.65   2.232% *  0.1032% (0.22   0.02   0.02) =   0.002%
          HD2   PRO   58 - HB3   GLU- 100  28.77 +/- 0.41   0.000% *  0.4542% (0.98   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   GLU- 100  29.99 +/- 1.52   0.000% *  0.4624% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  29.27 +/- 0.89   0.000% *  0.1905% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 75.9:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.997% * 96.9278% (1.00   2.00  75.86) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.57 +/- 0.30   0.001% *  0.8693% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  11.44 +/- 1.50   0.002% *  0.2695% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  23.71 +/- 1.23   0.000% *  0.5488% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.86 +/- 0.70   0.000% *  0.9501% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  28.85 +/- 0.34   0.000% *  0.4346% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 3.25, residual support = 75.9:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.44 +/- 0.16  99.992% * 97.4908% (1.00   3.25  75.86) = 100.000%  kept
          HB2   ASP- 105 - HB3   GLU- 100  15.31 +/- 0.48   0.002% *  0.5207% (0.87   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.99 +/- 0.41   0.002% *  0.4359% (0.73   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU- 100  14.18 +/- 0.44   0.003% *  0.1853% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  19.08 +/- 1.34   0.001% *  0.2253% (0.38   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  20.02 +/- 0.91   0.000% *  0.1497% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  27.62 +/- 1.21   0.000% *  0.5950% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  23.75 +/- 1.42   0.000% *  0.1051% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  28.28 +/- 1.53   0.000% *  0.2922% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 75.8:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.91 +/- 0.33  78.450% * 98.9076% (1.00   4.73  75.86) =  99.974%  kept
        T HA    LYS+  38 - HG2   GLU- 100   4.20 +/- 1.54  21.550% *  0.0931% (0.22   0.02   0.02) =   0.026%
          HD2   PRO   58 - HG2   GLU- 100  27.55 +/- 0.68   0.000% *  0.4100% (0.98   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   GLU- 100  30.57 +/- 1.50   0.000% *  0.4173% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  28.46 +/- 1.14   0.000% *  0.1720% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 3.25, residual support = 75.9:
    * O T HB2   GLU- 100 - HG2   GLU- 100   3.00 +/- 0.05  99.905% * 98.0857% (1.00   3.25  75.86) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  10.85 +/- 0.42   0.047% *  0.5417% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  11.51 +/- 1.34   0.047% *  0.1679% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  23.51 +/- 1.36   0.000% *  0.3419% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  26.03 +/- 0.70   0.000% *  0.5920% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  27.41 +/- 0.56   0.000% *  0.2708% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 75.9:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.44 +/- 0.16  99.992% * 96.2372% (1.00   3.25  75.86) = 100.000%  kept
          HB2   GLN   30 - HG2   GLU- 100  14.73 +/- 1.34   0.003% *  0.5873% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  16.93 +/- 1.39   0.001% *  0.5470% (0.92   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HG2   GLU- 100  14.95 +/- 1.93   0.003% *  0.1319% (0.22   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HG2   GLU- 100  17.83 +/- 0.52   0.001% *  0.3355% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  22.04 +/- 0.59   0.000% *  0.5873% (0.99   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  23.29 +/- 0.48   0.000% *  0.5140% (0.87   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  21.32 +/- 1.04   0.000% *  0.1319% (0.22   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  25.33 +/- 1.03   0.000% *  0.2884% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  25.36 +/- 1.06   0.000% *  0.1648% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  31.93 +/- 0.76   0.000% *  0.4745% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.21 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 +/- 0.00 100.000% * 99.6261% (1.00   2.00  15.44) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  19.51 +/- 0.79   0.000% *  0.3739% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  99.997% * 95.5020% (1.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101  10.64 +/- 1.12   0.002% *  0.9034% (0.95   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  13.70 +/- 1.58   0.001% *  0.7647% (0.80   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.61 +/- 1.53   0.000% *  0.6560% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.31 +/- 0.50   0.000% *  0.7977% (0.84   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  23.07 +/- 1.13   0.000% *  0.9217% (0.97   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  23.24 +/- 1.08   0.000% *  0.1890% (0.20   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.55 +/- 0.51   0.000% *  0.2655% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 1.0, support = 6.31, residual support = 159.5:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.39 +/- 0.07  98.462% * 98.3862% (1.00   6.31 159.45) =  99.998%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.88 +/- 0.33   1.514% *  0.1063% (0.34   0.02  22.37) =   0.002%
        T HB    VAL   41 - HA    LYS+ 102  10.30 +/- 1.27   0.021% *  0.1517% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  14.56 +/- 0.38   0.002% *  0.3007% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.29 +/- 0.38   0.001% *  0.2141% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.41 +/- 0.24   0.000% *  0.3055% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.46 +/- 0.22   0.000% *  0.2877% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.22 +/- 0.91   0.000% *  0.1517% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  21.89 +/- 0.34   0.000% *  0.0481% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.99 +/- 0.81   0.000% *  0.0481% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.5:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.26 +/- 0.37  99.805% * 97.7074% (1.00   5.75 159.45) =  99.999%  kept
          HG    LEU   40 - HA    LYS+ 102  10.04 +/- 0.66   0.150% *  0.2721% (0.80   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  15.73 +/- 1.52   0.012% *  0.3331% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  16.39 +/- 0.42   0.007% *  0.2334% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  16.73 +/- 0.95   0.007% *  0.2334% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.48 +/- 0.29   0.003% *  0.2721% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  19.73 +/- 0.89   0.002% *  0.2948% (0.87   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  17.40 +/- 0.35   0.005% *  0.0847% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.52 +/- 0.24   0.002% *  0.1788% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.51 +/- 0.21   0.003% *  0.1049% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  20.91 +/- 0.93   0.002% *  0.0847% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  22.68 +/- 1.50   0.001% *  0.1159% (0.34   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.96 +/- 0.49   0.001% *  0.0847% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 1.0, support = 5.05, residual support = 159.4:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   2.96 +/- 0.73  87.489% * 96.8530% (1.00   5.05 159.45) =  99.980%  kept
          QB    LEU   98 - HA    LYS+ 102   4.72 +/- 0.31  10.582% *  0.1308% (0.34   0.02   0.90) =   0.016%
          HG    LEU   98 - HA    LYS+ 102   6.88 +/- 0.93   1.641% *  0.1066% (0.28   0.02   0.90) =   0.002%
        T HG3   LYS+ 106 - HA    LYS+ 102   8.63 +/- 0.23   0.256% *  0.3628% (0.95   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 102  13.93 +/- 0.40   0.014% *  0.3759% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  15.66 +/- 0.82   0.007% *  0.3827% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 102  17.43 +/- 1.26   0.004% *  0.3628% (0.95   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  18.07 +/- 0.84   0.003% *  0.0759% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.92 +/- 0.33   0.001% *  0.1577% (0.41   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.30 +/- 0.30   0.001% *  0.3759% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  21.48 +/- 0.62   0.001% *  0.1439% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.46 +/- 0.46   0.000% *  0.3801% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  24.96 +/- 2.45   0.000% *  0.2326% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  21.36 +/- 0.36   0.001% *  0.0592% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.5:
    *   T QD    LYS+ 102 - HA    LYS+ 102   2.83 +/- 0.74  99.183% * 97.4737% (1.00   5.05 159.45) =  99.999%  kept
          QD    LYS+  38 - HA    LYS+ 102   9.83 +/- 1.69   0.183% *  0.3091% (0.80   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LYS+ 102   8.64 +/- 0.92   0.296% *  0.0962% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 102   8.28 +/- 0.30   0.316% *  0.0859% (0.22   0.02   0.43) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  15.39 +/- 0.51   0.008% *  0.2031% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  15.38 +/- 0.66   0.008% *  0.1587% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  21.29 +/- 0.32   0.001% *  0.3563% (0.92   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.02 +/- 0.94   0.001% *  0.2185% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  22.13 +/- 0.98   0.001% *  0.2651% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  23.47 +/- 0.25   0.001% *  0.3651% (0.95   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  23.64 +/- 1.50   0.001% *  0.2497% (0.65   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.42 +/- 0.36   0.001% *  0.2185% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.5:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.03 +/- 0.30  99.816% * 99.3665% (1.00   5.05 159.45) =  99.999%  kept
        T QE    LYS+  99 - HA    LYS+ 102   9.33 +/- 0.55   0.140% *  0.2703% (0.69   0.02   0.43) =   0.000%
        T QE    LYS+  38 - HA    LYS+ 102  11.44 +/- 1.66   0.045% *  0.3632% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.5:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.39 +/- 0.07  99.968% * 98.6749% (1.00   6.31 159.45) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41  10.30 +/- 1.27   0.022% *  0.1404% (0.45   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  13.11 +/- 1.16   0.004% *  0.1173% (0.38   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  12.93 +/- 1.00   0.005% *  0.0278% (0.09   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.06 +/- 0.57   0.000% *  0.1521% (0.49   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  21.13 +/- 0.61   0.000% *  0.2611% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  18.58 +/- 1.14   0.000% *  0.0684% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  20.87 +/- 0.48   0.000% *  0.0619% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.70 +/- 1.20   0.000% *  0.0630% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  26.14 +/- 0.69   0.000% *  0.1401% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  24.94 +/- 0.60   0.000% *  0.0908% (0.29   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  29.19 +/- 0.30   0.000% *  0.2022% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 1.0, support = 5.31, residual support = 159.4:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.30 +/- 0.13  98.608% * 96.2932% (1.00   5.31 159.45) =  99.998%  kept
          HG    LEU   73 - HB    VAL   41   6.49 +/- 1.81   0.896% *  0.1596% (0.44   0.02   0.23) =   0.002%
          HG    LEU   40 - HB    VAL   41   6.44 +/- 0.86   0.364% *  0.1304% (0.36   0.02  21.05) =   0.001%
          HG    LEU   40 - QB    LYS+ 102   8.48 +/- 0.96   0.052% *  0.2902% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  10.02 +/- 0.44   0.016% *  0.1119% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  10.69 +/- 2.03   0.033% *  0.0406% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  11.89 +/- 1.27   0.007% *  0.1628% (0.45   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  11.45 +/- 0.72   0.008% *  0.1119% (0.31   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  14.26 +/- 1.11   0.002% *  0.2490% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  15.18 +/- 1.29   0.001% *  0.3552% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  14.09 +/- 0.72   0.002% *  0.2490% (0.69   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  16.98 +/- 1.00   0.001% *  0.3144% (0.87   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  14.98 +/- 0.60   0.001% *  0.1413% (0.39   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.45 +/- 0.32   0.001% *  0.2902% (0.80   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  14.43 +/- 0.33   0.002% *  0.0857% (0.24   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  14.66 +/- 0.35   0.002% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.06 +/- 0.78   0.001% *  0.1304% (0.36   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.42 +/- 0.38   0.000% *  0.1907% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.98 +/- 0.26   0.000% *  0.1119% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.04 +/- 0.68   0.001% *  0.0503% (0.14   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  19.26 +/- 0.90   0.000% *  0.0904% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  17.13 +/- 0.62   0.001% *  0.0406% (0.11   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  18.12 +/- 0.95   0.000% *  0.0555% (0.15   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.54 +/- 0.49   0.000% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  22.21 +/- 1.30   0.000% *  0.1236% (0.34   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  19.70 +/- 1.00   0.000% *  0.0406% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 1.0, support = 4.75, residual support = 159.4:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.18  79.762% * 95.0580% (1.00   4.75 159.45) =  99.982%  kept
        T QB    LEU   98 - HB    VAL   41   4.33 +/- 1.44  16.723% *  0.0614% (0.15   0.02  27.91) =   0.014%
          HG    LEU   98 - HB    VAL   41   5.16 +/- 1.35   2.104% *  0.0500% (0.12   0.02  27.91) =   0.001%
          QB    LEU   98 - QB    LYS+ 102   5.46 +/- 0.33   0.660% *  0.1366% (0.34   0.02   0.90) =   0.001%
          HB3   LEU   73 - HB    VAL   41   7.08 +/- 1.13   0.237% *  0.1795% (0.45   0.02   0.23) =   0.001%
        T HB    VAL   42 - HB    VAL   41   6.52 +/- 0.24   0.208% *  0.1764% (0.44   0.02  24.22) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+ 102   8.08 +/- 0.39   0.061% *  0.3788% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   7.37 +/- 0.92   0.146% *  0.1113% (0.28   0.02   0.90) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   9.24 +/- 2.03   0.067% *  0.1702% (0.43   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  12.79 +/- 0.56   0.004% *  0.3925% (0.98   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  12.16 +/- 1.48   0.006% *  0.1799% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  12.45 +/- 1.45   0.005% *  0.1702% (0.43   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  15.17 +/- 0.86   0.001% *  0.3995% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  16.12 +/- 1.39   0.001% *  0.3788% (0.95   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  17.38 +/- 3.20   0.003% *  0.1091% (0.27   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  16.28 +/- 0.82   0.001% *  0.1764% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  12.48 +/- 0.79   0.005% *  0.0278% (0.07   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  14.87 +/- 0.82   0.002% *  0.0792% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  21.49 +/- 0.50   0.000% *  0.3925% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  22.22 +/- 2.09   0.000% *  0.2429% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.54 +/- 0.31   0.000% *  0.1646% (0.41   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.86 +/- 0.49   0.000% *  0.3969% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  17.18 +/- 1.07   0.001% *  0.0740% (0.18   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  20.69 +/- 0.55   0.000% *  0.1503% (0.38   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  18.20 +/- 0.32   0.000% *  0.0675% (0.17   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  18.22 +/- 0.85   0.000% *  0.0356% (0.09   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.71 +/- 0.86   0.000% *  0.1783% (0.45   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  20.07 +/- 0.44   0.000% *  0.0618% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.5:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.26 +/- 0.34  99.030% * 95.9829% (1.00   4.75 159.45) =  99.999%  kept
          QD    LYS+  99 - QB    LYS+ 102   6.21 +/- 0.61   0.404% *  0.0900% (0.22   0.02   0.43) =   0.000%
        T QD    LYS+  38 - QB    LYS+ 102   8.17 +/- 1.87   0.094% *  0.3238% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   6.77 +/- 0.70   0.227% *  0.0747% (0.18   0.02   0.23) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   8.15 +/- 0.84   0.102% *  0.1008% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.12 +/- 0.91   0.032% *  0.1455% (0.36   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   7.77 +/- 0.65   0.081% *  0.0404% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41  11.73 +/- 1.21   0.010% *  0.1817% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  12.88 +/- 0.55   0.004% *  0.2127% (0.53   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  12.63 +/- 1.56   0.007% *  0.0453% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  14.90 +/- 0.63   0.002% *  0.1662% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  17.85 +/- 0.37   0.001% *  0.3732% (0.92   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  15.44 +/- 1.18   0.001% *  0.0956% (0.24   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  16.34 +/- 0.82   0.001% *  0.1029% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  20.02 +/- 1.03   0.000% *  0.2777% (0.69   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  21.89 +/- 0.29   0.000% *  0.3825% (0.95   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.05 +/- 0.79   0.000% *  0.2289% (0.57   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  19.62 +/- 0.93   0.000% *  0.1719% (0.43   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  19.71 +/- 0.54   0.000% *  0.1677% (0.41   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  20.66 +/- 0.51   0.000% *  0.2289% (0.57   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.72 +/- 0.99   0.000% *  0.1029% (0.25   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  23.11 +/- 1.31   0.000% *  0.2616% (0.65   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  20.34 +/- 0.90   0.000% *  0.1175% (0.29   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  22.61 +/- 1.34   0.000% *  0.1248% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 1.0, support = 4.75, residual support = 159.4:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.64 +/- 0.43  98.970% * 98.8414% (1.00   4.75 159.45) =  99.998%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.40 +/- 0.89   0.488% *  0.2860% (0.69   0.02   0.43) =   0.001%
        T QE    LYS+  99 - HB    VAL   41   7.04 +/- 0.37   0.397% *  0.1285% (0.31   0.02   0.02) =   0.001%
        T QE    LYS+  38 - QB    LYS+ 102   9.71 +/- 1.78   0.098% *  0.3843% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  11.04 +/- 0.72   0.026% *  0.1727% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HB    VAL   41  12.04 +/- 1.22   0.021% *  0.1871% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.5:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.26 +/- 0.37  99.997% * 99.0987% (1.00   5.75 159.45) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  24.31 +/- 0.78   0.001% *  0.2879% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  23.00 +/- 1.12   0.001% *  0.1678% (0.49   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  24.33 +/- 0.64   0.001% *  0.0682% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  30.75 +/- 1.27   0.000% *  0.1545% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  34.05 +/- 0.78   0.000% *  0.2230% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.5:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.30 +/- 0.13  99.900% * 98.0882% (1.00   5.31 159.45) = 100.000%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.82 +/- 0.63   0.091% *  0.1259% (0.34   0.02  22.37) =   0.000%
        T HB    VAL   41 - HG2   LYS+ 102  11.89 +/- 1.27   0.008% *  0.1797% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  15.71 +/- 0.75   0.001% *  0.3563% (0.97   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  19.06 +/- 0.85   0.000% *  0.2536% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.44 +/- 0.68   0.000% *  0.3619% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  25.11 +/- 0.98   0.000% *  0.3408% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  25.43 +/- 1.00   0.000% *  0.1797% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  22.61 +/- 1.21   0.000% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  29.54 +/- 1.55   0.000% *  0.0570% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 4.43, residual support = 159.5:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.958% * 96.4306% (1.00   4.43 159.45) = 100.000%  kept
          QB    LEU   98 - HG2   LYS+ 102   6.94 +/- 0.62   0.031% *  0.1484% (0.34   0.02   0.90) =   0.000%
        T HG3   LYS+ 106 - HG2   LYS+ 102  10.91 +/- 1.08   0.003% *  0.4115% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   9.20 +/- 1.26   0.008% *  0.1209% (0.28   0.02   0.90) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  15.69 +/- 0.84   0.000% *  0.4264% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  17.87 +/- 0.98   0.000% *  0.4340% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  18.08 +/- 1.67   0.000% *  0.4115% (0.95   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  18.11 +/- 1.16   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.50 +/- 0.76   0.000% *  0.4264% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  25.25 +/- 2.34   0.000% *  0.2638% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  23.55 +/- 1.03   0.000% *  0.1788% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  27.57 +/- 1.22   0.000% *  0.4311% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  23.91 +/- 0.50   0.000% *  0.1633% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  23.55 +/- 0.60   0.000% *  0.0671% (0.15   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 = 4.43, residual support = 159.5:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.19 +/- 0.01  99.874% * 97.1322% (1.00   4.43 159.45) = 100.000%  kept
          QD    LYS+  38 - HG2   LYS+ 102   8.60 +/- 2.41   0.064% *  0.3509% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   LYS+ 102   8.04 +/- 0.67   0.050% *  0.0976% (0.22   0.02   0.43) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  10.69 +/- 1.19   0.011% *  0.1093% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  16.38 +/- 1.32   0.001% *  0.2305% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  17.56 +/- 0.78   0.000% *  0.1801% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  21.83 +/- 1.23   0.000% *  0.4045% (0.92   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  24.33 +/- 1.53   0.000% *  0.3010% (0.69   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.85 +/- 0.87   0.000% *  0.2481% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  26.15 +/- 0.97   0.000% *  0.4145% (0.95   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  24.45 +/- 0.70   0.000% *  0.2481% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  26.46 +/- 1.40   0.000% *  0.2834% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 1.0, support = 4.43, residual support = 159.5:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.28 +/- 0.12  99.554% * 99.2790% (1.00   4.43 159.45) =  99.998%  kept
        T QE    LYS+  38 - HG2   LYS+ 102  10.23 +/- 2.39   0.205% *  0.4134% (0.92   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HG2   LYS+ 102   9.19 +/- 0.84   0.241% *  0.3076% (0.69   0.02   0.43) =   0.001%
    Distance limit 5.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.5:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   2.96 +/- 0.73  99.523% * 96.9250% (1.00   5.05 159.45) = 100.000%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   8.63 +/- 0.23   0.331% *  0.0699% (0.18   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  12.70 +/- 0.68   0.036% *  0.1593% (0.41   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  12.95 +/- 1.17   0.035% *  0.0618% (0.16   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  16.77 +/- 1.09   0.007% *  0.2609% (0.68   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  17.43 +/- 1.26   0.005% *  0.1907% (0.50   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.93 +/- 0.31   0.029% *  0.0340% (0.09   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  14.22 +/- 0.64   0.019% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  20.54 +/- 1.39   0.002% *  0.1400% (0.36   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  21.64 +/- 1.40   0.001% *  0.2021% (0.53   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.11 +/- 0.74   0.002% *  0.1520% (0.40   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.30 +/- 0.30   0.001% *  0.3123% (0.81   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.61 +/- 1.18   0.001% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  24.45 +/- 1.01   0.001% *  0.3206% (0.84   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  21.99 +/- 0.60   0.001% *  0.0584% (0.15   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  24.46 +/- 0.84   0.001% *  0.0760% (0.20   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  26.39 +/- 0.83   0.000% *  0.0928% (0.24   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  22.14 +/- 0.65   0.001% *  0.0314% (0.08   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  28.74 +/- 1.00   0.000% *  0.1233% (0.32   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.87 +/- 1.55   0.000% *  0.0855% (0.22   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  30.52 +/- 1.22   0.000% *  0.1721% (0.45   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  20.70 +/- 0.39   0.002% *  0.0138% (0.04   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  33.89 +/- 0.86   0.000% *  0.2483% (0.65   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  26.21 +/- 0.23   0.000% *  0.0452% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.908, support = 5.13, residual support = 159.9:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.40 +/- 0.18  52.315% * 50.0731% (1.00   4.75 159.45) =  54.459%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.45 +/- 0.16  46.549% * 47.0575% (0.80   5.59 160.53) =  45.539%  kept
          HB3   GLN   17 - HG3   LYS+  65   6.97 +/- 1.84   0.269% *  0.0836% (0.40   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  65   6.51 +/- 0.52   0.183% *  0.1179% (0.56   0.02  26.46) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   6.98 +/- 1.31   0.173% *  0.1011% (0.48   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.51 +/- 0.89   0.099% *  0.0719% (0.34   0.02  22.37) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   5.66 +/- 0.33   0.317% *  0.0131% (0.06   0.02   0.11) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   9.24 +/- 2.03   0.037% *  0.0510% (0.24   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.08 +/- 0.39   0.037% *  0.0384% (0.18   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  12.16 +/- 1.48   0.005% *  0.1027% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  13.38 +/- 0.66   0.002% *  0.1657% (0.79   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  16.09 +/- 0.89   0.001% *  0.2036% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  14.17 +/- 1.67   0.002% *  0.0510% (0.24   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  12.93 +/- 1.13   0.003% *  0.0265% (0.13   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  12.45 +/- 1.45   0.004% *  0.0187% (0.09   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  16.12 +/- 1.39   0.001% *  0.1048% (0.50   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  16.28 +/- 0.82   0.001% *  0.0836% (0.40   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  17.84 +/- 1.12   0.000% *  0.1027% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  19.04 +/- 1.16   0.000% *  0.1585% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  19.29 +/- 0.78   0.000% *  0.1449% (0.69   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  15.35 +/- 0.32   0.001% *  0.0355% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.99 +/- 1.29   0.000% *  0.0720% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  16.33 +/- 0.30   0.001% *  0.0371% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  15.48 +/- 0.43   0.001% *  0.0264% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.85 +/- 1.29   0.001% *  0.0357% (0.17   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  21.49 +/- 0.50   0.000% *  0.1717% (0.81   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.67 +/- 0.63   0.000% *  0.2068% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  18.65 +/- 0.35   0.000% *  0.0377% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  24.81 +/- 0.90   0.000% *  0.1947% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  21.44 +/- 0.71   0.000% *  0.0586% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.92 +/- 1.12   0.000% *  0.0265% (0.13   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  25.78 +/- 1.13   0.000% *  0.1027% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  26.41 +/- 0.92   0.000% *  0.0967% (0.46   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  22.75 +/- 1.14   0.000% *  0.0325% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  17.19 +/- 0.46   0.000% *  0.0059% (0.03   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  23.37 +/- 0.48   0.000% *  0.0187% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  19.64 +/- 0.70   0.000% *  0.0059% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.60 +/- 1.69   0.000% *  0.0162% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.27 +/- 1.47   0.000% *  0.0325% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.94 +/- 1.06   0.000% *  0.0162% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 1.0, support = 4.43, residual support = 159.5:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  99.265% * 92.3702% (1.00   4.43 159.45) =  99.998%  kept
          QB    ALA   61 - HG3   LYS+  65   4.89 +/- 1.08   0.585% *  0.1784% (0.43   0.02   0.02) =   0.001%
          QG    LYS+  66 - HG3   LYS+  65   6.18 +/- 1.09   0.111% *  0.2941% (0.71   0.02  26.46) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   8.92 +/- 0.74   0.007% *  0.2329% (0.56   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.18 +/- 1.01   0.006% *  0.2329% (0.56   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   9.54 +/- 0.68   0.004% *  0.2029% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  11.24 +/- 1.29   0.002% *  0.3337% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   9.55 +/- 1.11   0.006% *  0.0516% (0.12   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  10.91 +/- 1.08   0.003% *  0.0759% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  11.50 +/- 1.09   0.001% *  0.0846% (0.20   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.70 +/- 0.44   0.002% *  0.0608% (0.15   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  13.63 +/- 1.86   0.001% *  0.1657% (0.40   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  15.19 +/- 0.80   0.000% *  0.3324% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  14.81 +/- 0.92   0.000% *  0.2715% (0.65   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  15.04 +/- 0.66   0.000% *  0.2715% (0.65   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  12.08 +/- 0.41   0.001% *  0.0608% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.64 +/- 1.48   0.000% *  0.1422% (0.34   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  17.88 +/- 1.66   0.000% *  0.4084% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  17.54 +/- 0.90   0.000% *  0.2862% (0.69   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  14.39 +/- 0.81   0.000% *  0.0846% (0.20   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  17.80 +/- 1.10   0.000% *  0.2862% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  16.69 +/- 1.83   0.000% *  0.1422% (0.34   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  15.73 +/- 0.75   0.000% *  0.1047% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  18.08 +/- 1.67   0.000% *  0.2070% (0.50   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  15.99 +/- 1.22   0.000% *  0.0846% (0.20   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  20.72 +/- 1.19   0.000% *  0.3614% (0.87   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  14.91 +/- 0.61   0.000% *  0.0521% (0.13   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  16.16 +/- 1.30   0.000% *  0.0744% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  12.61 +/- 0.34   0.001% *  0.0189% (0.05   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  13.23 +/- 0.20   0.001% *  0.0234% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  15.39 +/- 0.43   0.000% *  0.0521% (0.13   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  19.20 +/- 1.27   0.000% *  0.1795% (0.43   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.30 +/- 1.05   0.000% *  0.3337% (0.80   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  17.99 +/- 0.89   0.000% *  0.1089% (0.26   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.61 +/- 0.88   0.000% *  0.0659% (0.16   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  18.04 +/- 1.05   0.000% *  0.1039% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  14.37 +/- 0.49   0.000% *  0.0189% (0.05   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  22.08 +/- 0.71   0.000% *  0.2192% (0.53   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  16.76 +/- 0.25   0.000% *  0.0399% (0.10   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  21.38 +/- 0.88   0.000% *  0.1286% (0.31   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.50 +/- 0.76   0.000% *  0.3391% (0.81   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  20.61 +/- 0.83   0.000% *  0.0706% (0.17   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  22.67 +/- 0.99   0.000% *  0.1039% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  24.96 +/- 1.22   0.000% *  0.1657% (0.40   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  23.68 +/- 1.12   0.000% *  0.1039% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  25.16 +/- 1.89   0.000% *  0.1421% (0.34   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.17 +/- 0.73   0.000% *  0.0639% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  26.11 +/- 1.50   0.000% *  0.1157% (0.28   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  23.35 +/- 1.30   0.000% *  0.0516% (0.12   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  21.54 +/- 1.79   0.000% *  0.0259% (0.06   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  21.22 +/- 0.76   0.000% *  0.0189% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  27.45 +/- 1.46   0.000% *  0.0516% (0.12   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 = 0.783, support = 4.11, residual support = 159.9:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.51 +/- 0.06  25.544% * 63.2837% (1.00   4.00 159.45) =  59.752%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.39 +/- 0.15  34.849% * 31.2273% (0.46   4.28 160.53) =  40.226%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.35 +/- 0.18  39.506% *  0.0144% (0.05   0.02 131.31) =   0.021%
          QD    LYS+  38 - HG3   LYS+ 102   9.27 +/- 2.49   0.022% *  0.2534% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.48 +/- 0.87   0.023% *  0.0704% (0.22   0.02   0.43) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 106   8.87 +/- 0.83   0.019% *  0.0577% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.22 +/- 1.19   0.008% *  0.0789% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  11.02 +/- 1.27   0.005% *  0.1259% (0.40   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  11.29 +/- 0.68   0.003% *  0.0646% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  10.02 +/- 0.25   0.006% *  0.0303% (0.10   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  14.86 +/- 0.89   0.001% *  0.2377% (0.75   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  14.78 +/- 0.81   0.001% *  0.1059% (0.33   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  16.35 +/- 1.21   0.000% *  0.1665% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  12.89 +/- 1.50   0.002% *  0.0350% (0.11   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.93 +/- 0.36   0.004% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.36 +/- 0.72   0.000% *  0.1355% (0.43   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  13.54 +/- 0.97   0.001% *  0.0396% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.02 +/- 2.43   0.000% *  0.2062% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  18.83 +/- 1.06   0.000% *  0.2436% (0.77   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  17.73 +/- 1.37   0.000% *  0.1572% (0.50   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  17.66 +/- 1.10   0.000% *  0.1301% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  15.94 +/- 0.68   0.000% *  0.0573% (0.18   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  14.70 +/- 0.65   0.001% *  0.0326% (0.10   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  21.96 +/- 1.13   0.000% *  0.2921% (0.92   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  16.09 +/- 0.84   0.000% *  0.0462% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  16.69 +/- 0.30   0.000% *  0.0545% (0.17   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  18.39 +/- 1.16   0.000% *  0.0890% (0.28   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  16.72 +/- 0.38   0.000% *  0.0532% (0.17   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  14.80 +/- 0.65   0.001% *  0.0237% (0.07   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  23.67 +/- 0.50   0.000% *  0.2575% (0.81   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  23.91 +/- 1.53   0.000% *  0.2174% (0.69   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  22.28 +/- 0.97   0.000% *  0.1458% (0.46   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  23.20 +/- 0.84   0.000% *  0.1769% (0.56   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.45 +/- 1.22   0.000% *  0.1791% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  25.87 +/- 0.90   0.000% *  0.2993% (0.95   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.70 +/- 0.67   0.000% *  0.1791% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  20.76 +/- 0.48   0.000% *  0.0642% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  26.15 +/- 1.86   0.000% *  0.2047% (0.65   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  23.78 +/- 1.17   0.000% *  0.1017% (0.32   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  23.46 +/- 1.83   0.000% *  0.0827% (0.26   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  20.64 +/- 1.52   0.000% *  0.0392% (0.12   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  26.29 +/- 1.57   0.000% *  0.1451% (0.46   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  26.34 +/- 0.91   0.000% *  0.1487% (0.47   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  21.70 +/- 1.87   0.000% *  0.0373% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  20.85 +/- 0.39   0.000% *  0.0326% (0.10   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  28.26 +/- 1.06   0.000% *  0.1666% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  25.84 +/- 1.51   0.000% *  0.0890% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  31.18 +/- 1.32   0.000% *  0.1080% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.52 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 = 1.0, support = 4.0, residual support = 159.5:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.20 +/- 0.17  99.858% * 97.3207% (1.00   4.00 159.45) = 100.000%  kept
        T QE    LYS+ 102 - HG3   LYS+ 106   8.34 +/- 0.83   0.081% *  0.0887% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  10.91 +/- 2.46   0.014% *  0.4492% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 102   9.70 +/- 0.88   0.018% *  0.3343% (0.69   0.02   0.43) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  10.61 +/- 1.17   0.013% *  0.2231% (0.46   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  11.49 +/- 1.62   0.009% *  0.1660% (0.34   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  14.86 +/- 0.63   0.001% *  0.2720% (0.56   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.97 +/- 0.68   0.005% *  0.0609% (0.13   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  21.59 +/- 2.74   0.001% *  0.3655% (0.75   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  18.23 +/- 1.21   0.000% *  0.2417% (0.50   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  17.70 +/- 0.75   0.000% *  0.0818% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  23.99 +/- 0.36   0.000% *  0.3960% (0.81   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.5:
    *   T HA    LYS+ 102 - QD    LYS+ 102   2.83 +/- 0.74  99.582% * 98.2592% (1.00   5.05 159.45) = 100.000%  kept
          HA1   GLY  109 - HD2   LYS+ 111   8.14 +/- 0.26   0.370% *  0.0495% (0.13   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  12.87 +/- 0.84   0.025% *  0.0195% (0.05   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  16.35 +/- 0.82   0.006% *  0.0821% (0.21   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.91 +/- 0.96   0.002% *  0.1894% (0.49   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  22.54 +/- 0.80   0.001% *  0.3250% (0.84   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.86 +/- 0.54   0.005% *  0.0456% (0.12   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  19.85 +/- 0.85   0.002% *  0.0636% (0.16   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  19.06 +/- 1.07   0.002% *  0.0441% (0.11   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  22.13 +/- 0.98   0.001% *  0.1017% (0.26   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.03 +/- 0.49   0.002% *  0.0479% (0.12   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  21.59 +/- 0.63   0.001% *  0.0658% (0.17   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  23.42 +/- 0.36   0.001% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  22.50 +/- 0.59   0.001% *  0.0770% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  27.29 +/- 1.13   0.000% *  0.1744% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  30.41 +/- 0.79   0.000% *  0.2517% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  26.70 +/- 0.32   0.000% *  0.0850% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  23.98 +/- 0.37   0.001% *  0.0201% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.81 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 = 0.806, support = 4.83, residual support = 159.7:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.26 +/- 0.34  43.064% * 76.9963% (1.00   4.75 159.45) =  74.170%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.12 +/- 0.14  56.675% * 20.3741% (0.25   5.07 160.53) =  25.830%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.73 +/- 0.72   0.094% *  0.1106% (0.34   0.02  22.37) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.47 +/- 0.32   0.071% *  0.0563% (0.17   0.02  26.46) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   7.06 +/- 1.15   0.079% *  0.0399% (0.12   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.48 +/- 0.69   0.007% *  0.0783% (0.24   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  11.73 +/- 1.21   0.003% *  0.1579% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.36 +/- 0.55   0.000% *  0.3130% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.68 +/- 0.59   0.001% *  0.0791% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  11.00 +/- 0.76   0.003% *  0.0131% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.67 +/- 0.72   0.000% *  0.2228% (0.69   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  11.85 +/- 0.87   0.002% *  0.0126% (0.04   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.78 +/- 0.49   0.000% *  0.3179% (0.98   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  22.01 +/- 0.75   0.000% *  0.2994% (0.92   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.98 +/- 1.02   0.000% *  0.0757% (0.23   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.34 +/- 0.82   0.000% *  0.0399% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.79 +/- 0.76   0.000% *  0.0582% (0.18   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.76 +/- 0.53   0.000% *  0.0831% (0.26   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.02 +/- 1.03   0.000% *  0.0848% (0.26   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.66 +/- 0.51   0.000% *  0.0820% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.89 +/- 0.82   0.000% *  0.1579% (0.49   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  18.36 +/- 1.03   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  20.48 +/- 1.01   0.000% *  0.0500% (0.15   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.46 +/- 1.03   0.000% *  0.0131% (0.04   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.90 +/- 0.73   0.000% *  0.0280% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  18.35 +/- 0.59   0.000% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.95 +/- 0.73   0.000% *  0.0818% (0.25   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.61 +/- 1.34   0.000% *  0.0413% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.99 +/- 1.29   0.000% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.17 +/- 0.59   0.000% *  0.0413% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 1.0, support = 4.43, residual support = 159.5:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.19 +/- 0.01  97.916% * 95.3831% (1.00   4.43 159.45) =  99.999%  kept
          QB    ALA   61 - QD    LYS+  65   4.62 +/- 0.52   1.411% *  0.0572% (0.13   0.02   0.02) =   0.001%
          QG    LYS+  66 - QD    LYS+  65   5.80 +/- 0.91   0.402% *  0.0943% (0.22   0.02  26.46) =   0.000%
          QB    ALA  110 - HD2   LYS+ 111   6.66 +/- 0.13   0.125% *  0.0347% (0.08   0.02   9.11) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.33 +/- 0.47   0.034% *  0.0901% (0.21   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  10.75 +/- 0.89   0.008% *  0.3445% (0.80   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   8.03 +/- 0.84   0.050% *  0.0280% (0.07   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   9.50 +/- 0.93   0.018% *  0.0747% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   9.44 +/- 0.46   0.016% *  0.0747% (0.17   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  16.72 +/- 1.51   0.001% *  0.4218% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  16.39 +/- 0.66   0.001% *  0.2956% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  16.52 +/- 0.96   0.001% *  0.2956% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  11.69 +/- 0.80   0.005% *  0.0271% (0.06   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  14.37 +/- 0.46   0.001% *  0.0871% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.09 +/- 0.60   0.004% *  0.0280% (0.07   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.88 +/- 0.88   0.001% *  0.0871% (0.20   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  15.30 +/- 0.63   0.001% *  0.1066% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  18.93 +/- 0.87   0.000% *  0.3732% (0.87   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  18.93 +/- 0.83   0.000% *  0.3445% (0.80   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  16.00 +/- 1.07   0.001% *  0.1073% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.26 +/- 0.66   0.002% *  0.0271% (0.06   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.66 +/- 0.33   0.001% *  0.0592% (0.14   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  20.07 +/- 0.52   0.000% *  0.2264% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  14.74 +/- 0.38   0.001% *  0.0336% (0.08   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  17.99 +/- 0.78   0.000% *  0.0976% (0.23   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.94 +/- 0.67   0.000% *  0.1328% (0.31   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  14.92 +/- 0.65   0.001% *  0.0271% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  21.01 +/- 0.89   0.000% *  0.1073% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  21.14 +/- 0.94   0.000% *  0.1073% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  20.58 +/- 0.99   0.000% *  0.0901% (0.21   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  22.70 +/- 1.36   0.000% *  0.1468% (0.34   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  20.40 +/- 0.90   0.000% *  0.0773% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  21.64 +/- 1.10   0.000% *  0.0773% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  23.36 +/- 0.82   0.000% *  0.1103% (0.26   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  24.33 +/- 1.53   0.000% *  0.1125% (0.26   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.45 +/- 0.70   0.000% *  0.1088% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  24.80 +/- 1.15   0.000% *  0.0371% (0.09   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  25.28 +/- 1.66   0.000% *  0.0384% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.94 +/- 0.51   0.000% *  0.0280% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.804, support = 4.07, residual support = 159.7:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.51 +/- 0.06  42.828% * 75.2560% (1.00   4.00 159.45) =  73.992%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.39 +/- 0.15  56.731% * 19.9686% (0.25   4.28 160.53) =  26.007%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   6.22 +/- 0.43   0.198% *  0.0975% (0.26   0.02  25.73) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   6.67 +/- 0.66   0.147% *  0.1284% (0.34   0.02   0.90) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+ 102   8.87 +/- 0.83   0.032% *  0.3559% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.73 +/- 1.11   0.034% *  0.1046% (0.28   0.02   0.90) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.27 +/- 0.77   0.010% *  0.0404% (0.11   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  14.76 +/- 0.61   0.001% *  0.3688% (0.98   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  11.70 +/- 0.32   0.004% *  0.0932% (0.25   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  16.66 +/- 0.90   0.001% *  0.3754% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  13.54 +/- 0.97   0.002% *  0.0931% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  17.73 +/- 1.37   0.000% *  0.3559% (0.95   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  13.60 +/- 1.21   0.002% *  0.0577% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  15.06 +/- 0.59   0.001% *  0.0949% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  16.26 +/- 1.23   0.001% *  0.0745% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  12.68 +/- 0.73   0.003% *  0.0147% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  18.39 +/- 1.16   0.000% *  0.0900% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  18.38 +/- 0.61   0.000% *  0.0943% (0.25   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  18.68 +/- 0.83   0.000% *  0.0964% (0.26   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.35 +/- 0.63   0.001% *  0.0188% (0.05   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  23.67 +/- 0.50   0.000% *  0.3688% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.73 +/- 0.80   0.000% *  0.1547% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.48 +/- 0.64   0.001% *  0.0391% (0.10   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  24.08 +/- 0.96   0.000% *  0.3730% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  21.12 +/- 0.72   0.000% *  0.1412% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  23.93 +/- 2.05   0.000% *  0.2282% (0.61   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  17.35 +/- 0.34   0.000% *  0.0324% (0.09   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  20.85 +/- 0.39   0.000% *  0.0900% (0.24   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.39 +/- 0.98   0.001% *  0.0195% (0.05   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.35 +/- 1.16   0.000% *  0.0369% (0.10   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  21.56 +/- 0.48   0.000% *  0.0982% (0.26   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  18.30 +/- 0.80   0.000% *  0.0336% (0.09   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.65 +/- 0.96   0.000% *  0.0264% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  23.20 +/- 0.84   0.000% *  0.0964% (0.26   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  23.91 +/- 1.53   0.000% *  0.0984% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  21.68 +/- 0.58   0.000% *  0.0581% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  19.61 +/- 1.69   0.000% *  0.0274% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.70 +/- 0.67   0.000% *  0.0951% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  21.12 +/- 0.53   0.000% *  0.0357% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.06 +/- 0.32   0.000% *  0.0152% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  31.18 +/- 1.32   0.000% *  0.0931% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  32.06 +/- 1.82   0.000% *  0.0597% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.5:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.10 +/- 0.03  99.976% * 98.5454% (1.00   4.00 159.45) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.53 +/- 0.81   0.014% *  0.3385% (0.69   0.02   0.43) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  10.76 +/- 1.99   0.008% *  0.4548% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  14.64 +/- 0.56   0.001% *  0.0855% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.63 +/- 2.48   0.000% *  0.1150% (0.23   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  20.22 +/- 1.38   0.000% *  0.1288% (0.26   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.49 +/- 0.71   0.000% *  0.0885% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  22.90 +/- 0.35   0.000% *  0.1245% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  28.71 +/- 1.10   0.000% *  0.1189% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 1.0, support = 5.05, residual support = 159.5:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.03 +/- 0.30  99.799% * 97.7139% (1.00   5.05 159.45) = 100.000%  kept
        T HA    LYS+ 102 - QE    LYS+  99   9.33 +/- 0.55   0.140% *  0.2639% (0.68   0.02   0.43) =   0.000%
        T HA    LYS+ 102 - QE    LYS+  38  11.44 +/- 1.66   0.045% *  0.0886% (0.23   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  17.72 +/- 0.60   0.003% *  0.2204% (0.57   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.31 +/- 1.06   0.002% *  0.1883% (0.49   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  16.80 +/- 0.53   0.004% *  0.0522% (0.13   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  22.63 +/- 0.61   0.001% *  0.3232% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.13 +/- 0.51   0.001% *  0.1284% (0.33   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  20.38 +/- 1.38   0.002% *  0.0740% (0.19   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  22.58 +/- 0.46   0.001% *  0.0766% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  24.93 +/- 1.04   0.000% *  0.1183% (0.31   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  26.89 +/- 1.05   0.000% *  0.1735% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  27.30 +/- 0.57   0.000% *  0.1707% (0.44   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  20.95 +/- 1.73   0.002% *  0.0175% (0.05   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  30.08 +/- 0.73   0.000% *  0.2503% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.42 +/- 0.89   0.000% *  0.0431% (0.11   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  30.81 +/- 2.03   0.000% *  0.0397% (0.10   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  32.72 +/- 1.75   0.000% *  0.0573% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.4:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.64 +/- 0.43  97.647% * 95.6461% (1.00   4.75 159.45) =  99.996%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.40 +/- 0.89   0.479% *  0.2748% (0.68   0.02   0.43) =   0.001%
          HG12  ILE  103 - QE    LYS+ 102   6.45 +/- 0.58   0.921% *  0.1374% (0.34   0.02  22.37) =   0.001%
          HB2   LEU   71 - QE    LYS+  99   7.82 +/- 0.73   0.243% *  0.2652% (0.66   0.02   0.02) =   0.001%
        T HB    VAL   41 - QE    LYS+  99   7.04 +/- 0.37   0.388% *  0.1337% (0.33   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QE    LYS+  38   9.71 +/- 1.78   0.097% *  0.0922% (0.23   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  10.27 +/- 0.57   0.042% *  0.1887% (0.47   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.78 +/- 0.64   0.062% *  0.0937% (0.23   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+ 102  12.04 +/- 1.22   0.020% *  0.1961% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  11.65 +/- 1.47   0.034% *  0.0890% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  13.00 +/- 0.44   0.010% *  0.2693% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  15.78 +/- 0.41   0.003% *  0.3888% (0.97   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.04 +/- 0.72   0.026% *  0.0449% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  14.94 +/- 1.12   0.005% *  0.1337% (0.33   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  17.94 +/- 0.45   0.001% *  0.2768% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  13.82 +/- 1.13   0.008% *  0.0315% (0.08   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  14.30 +/- 0.73   0.006% *  0.0424% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  21.03 +/- 0.32   0.001% *  0.3949% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.54 +/- 0.71   0.000% *  0.3719% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.72 +/- 0.59   0.001% *  0.2536% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  17.52 +/- 1.89   0.002% *  0.0634% (0.16   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  19.43 +/- 2.23   0.001% *  0.0904% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  19.69 +/- 2.71   0.001% *  0.0449% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  24.25 +/- 0.80   0.000% *  0.1961% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  20.66 +/- 0.73   0.001% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.55 +/- 1.26   0.000% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.95 +/- 0.75   0.000% *  0.0424% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  27.35 +/- 1.14   0.000% *  0.0851% (0.21   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  22.78 +/- 2.06   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  30.96 +/- 1.49   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.937, support = 4.04, residual support = 139.6:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.28 +/- 0.12  54.262% * 79.6173% (1.00   4.43 159.45) =  86.207%  kept
          HG    LEU   40 - QE    LYS+  99   3.52 +/- 0.79  44.233% * 15.6213% (0.55   1.59  15.55) =  13.788%  kept
          HB3   LEU   67 - QE    LYS+  99   7.09 +/- 0.77   0.607% *  0.1682% (0.47   0.02   0.02) =   0.002%
          HG    LEU   67 - QE    LYS+  99   7.76 +/- 1.06   0.459% *  0.1682% (0.47   0.02   0.02) =   0.002%
        T HG2   LYS+ 102 - QE    LYS+  99   9.19 +/- 0.84   0.107% *  0.2449% (0.68   0.02   0.43) =   0.001%
          HG    LEU   40 - QE    LYS+ 102  11.19 +/- 0.93   0.035% *  0.2876% (0.80   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QE    LYS+  38  10.23 +/- 2.39   0.094% *  0.0822% (0.23   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  12.03 +/- 1.44   0.030% *  0.2401% (0.67   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  11.62 +/- 0.91   0.030% *  0.2125% (0.59   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  11.66 +/- 0.79   0.028% *  0.0658% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  16.86 +/- 1.46   0.003% *  0.3520% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  14.84 +/- 1.99   0.020% *  0.0565% (0.16   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.24 +/- 0.39   0.008% *  0.1289% (0.36   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  12.89 +/- 0.55   0.013% *  0.0611% (0.17   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  13.57 +/- 0.93   0.012% *  0.0611% (0.17   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  16.90 +/- 0.91   0.003% *  0.2467% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  16.10 +/- 0.54   0.004% *  0.1961% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  16.81 +/- 0.52   0.003% *  0.2467% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.40 +/- 1.56   0.006% *  0.0806% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  18.66 +/- 0.73   0.002% *  0.2876% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  19.16 +/- 1.02   0.001% *  0.3115% (0.87   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  15.97 +/- 2.11   0.007% *  0.0565% (0.16   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  16.02 +/- 0.67   0.004% *  0.0896% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  17.04 +/- 2.30   0.014% *  0.0205% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.55 +/- 0.70   0.002% *  0.1109% (0.31   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  20.12 +/- 0.39   0.001% *  0.1890% (0.53   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  18.78 +/- 1.93   0.002% *  0.0713% (0.20   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.65 +/- 0.41   0.002% *  0.0756% (0.21   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  18.10 +/- 0.82   0.002% *  0.0611% (0.17   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.73 +/- 0.79   0.001% *  0.0896% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  22.34 +/- 1.54   0.001% *  0.1225% (0.34   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  21.47 +/- 0.77   0.001% *  0.0896% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  20.26 +/- 1.83   0.001% *  0.0433% (0.12   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  22.82 +/- 0.88   0.000% *  0.0835% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  19.86 +/- 1.06   0.001% *  0.0205% (0.06   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  24.05 +/- 1.23   0.000% *  0.0658% (0.18   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  23.52 +/- 1.00   0.000% *  0.0254% (0.07   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  24.81 +/- 1.09   0.000% *  0.0280% (0.08   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  26.21 +/- 1.36   0.000% *  0.0205% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.5:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.20 +/- 0.17  99.443% * 92.3401% (1.00   4.00 159.45) =  99.999%  kept
        T HG3   LYS+ 106 - QE    LYS+ 102   8.34 +/- 0.83   0.080% *  0.4367% (0.95   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+ 102   6.74 +/- 0.36   0.141% *  0.1575% (0.34   0.02   0.90) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.93 +/- 0.24   0.121% *  0.1074% (0.23   0.02  16.31) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.53 +/- 0.46   0.035% *  0.3086% (0.67   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  99   9.70 +/- 0.88   0.018% *  0.3149% (0.68   0.02   0.43) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.16 +/- 0.90   0.054% *  0.0875% (0.19   0.02  16.31) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   8.81 +/- 0.90   0.032% *  0.1284% (0.28   0.02   0.90) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  11.49 +/- 1.62   0.009% *  0.2979% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  10.91 +/- 2.46   0.014% *  0.1057% (0.23   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.97 +/- 0.68   0.005% *  0.2979% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  10.61 +/- 1.17   0.013% *  0.1000% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  12.48 +/- 0.94   0.004% *  0.3142% (0.68   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  14.94 +/- 0.44   0.001% *  0.4526% (0.98   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.31 +/- 0.82   0.012% *  0.0361% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  14.86 +/- 0.63   0.001% *  0.3086% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  16.71 +/- 0.71   0.001% *  0.4607% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  12.52 +/- 0.83   0.004% *  0.0623% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  16.08 +/- 1.84   0.001% *  0.1910% (0.41   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  18.23 +/- 1.21   0.000% *  0.4367% (0.95   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  15.29 +/- 1.31   0.001% *  0.1036% (0.22   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.45 +/- 1.42   0.004% *  0.0294% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.47 +/- 1.13   0.001% *  0.1055% (0.23   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  16.76 +/- 2.84   0.001% *  0.0641% (0.14   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  16.44 +/- 0.80   0.001% *  0.0914% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  21.59 +/- 2.74   0.001% *  0.1036% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  17.70 +/- 0.75   0.000% *  0.1000% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.92 +/- 0.52   0.000% *  0.1294% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.34 +/- 0.73   0.000% *  0.1898% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.65 +/- 0.98   0.000% *  0.4576% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  22.33 +/- 0.61   0.000% *  0.3121% (0.68   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.37 +/- 0.49   0.001% *  0.0486% (0.11   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  23.99 +/- 0.36   0.000% *  0.4526% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  20.69 +/- 0.88   0.000% *  0.1733% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  24.41 +/- 2.20   0.000% *  0.2800% (0.61   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  21.39 +/- 0.32   0.000% *  0.1182% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  21.71 +/- 0.48   0.000% *  0.0712% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  19.12 +/- 1.32   0.000% *  0.0209% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  21.01 +/- 1.66   0.000% *  0.0163% (0.04   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  24.30 +/- 0.69   0.000% *  0.0397% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.56 +/- 1.22   0.000% *  0.0434% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  30.16 +/- 1.34   0.000% *  0.1048% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.783, support = 4.04, residual support = 168.0:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.10 +/- 0.03  32.806% * 70.9233% (1.00   4.00 159.45) =  73.942%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  33.790% * 12.1673% (0.18   3.74 214.56) =  13.066%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  33.316% * 12.2700% (0.15   4.56 169.85) =  12.991%  kept
          QD    LYS+  38 - QE    LYS+  99   6.70 +/- 0.53   0.035% *  0.1937% (0.55   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   7.88 +/- 1.01   0.020% *  0.0884% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  10.12 +/- 2.04   0.004% *  0.2840% (0.80   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  99   9.53 +/- 0.81   0.005% *  0.2418% (0.68   0.02   0.43) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.98 +/- 0.68   0.006% *  0.0789% (0.22   0.02   0.43) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  10.76 +/- 1.99   0.003% *  0.0812% (0.23   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.18 +/- 0.71   0.011% *  0.0181% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  11.37 +/- 0.99   0.002% *  0.1272% (0.36   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  12.19 +/- 0.74   0.001% *  0.0994% (0.28   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  14.12 +/- 0.48   0.000% *  0.2232% (0.63   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  14.55 +/- 0.73   0.000% *  0.1866% (0.53   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  12.30 +/- 0.77   0.001% *  0.0603% (0.17   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  14.64 +/- 0.56   0.000% *  0.1369% (0.39   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.47 +/- 0.83   0.000% *  0.1458% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  19.89 +/- 0.70   0.000% *  0.3274% (0.92   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  20.22 +/- 1.38   0.000% *  0.2436% (0.69   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.15 +/- 1.07   0.000% *  0.2008% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  22.57 +/- 0.72   0.000% *  0.3355% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  21.34 +/- 0.52   0.000% *  0.2288% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.26 +/- 1.09   0.000% *  0.0334% (0.09   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.63 +/- 2.48   0.000% *  0.0460% (0.13   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  22.90 +/- 1.67   0.000% *  0.2294% (0.65   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.49 +/- 0.71   0.000% *  0.1661% (0.47   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.19 +/- 0.50   0.000% *  0.1369% (0.39   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  22.90 +/- 0.35   0.000% *  0.2008% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.07 +/- 0.90   0.000% *  0.0202% (0.06   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  19.66 +/- 1.25   0.000% *  0.0427% (0.12   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  24.58 +/- 0.99   0.000% *  0.1564% (0.44   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  22.55 +/- 1.58   0.000% *  0.0749% (0.21   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  27.84 +/- 1.23   0.000% *  0.0768% (0.22   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  26.90 +/- 1.04   0.000% *  0.0525% (0.15   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  26.78 +/- 1.24   0.000% *  0.0460% (0.13   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  28.71 +/- 1.10   0.000% *  0.0558% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.613, support = 5.81, residual support = 137.7:
    * O T HB    ILE  103 - HA    ILE  103   2.96 +/- 0.03  18.052% * 80.1546% (1.00   5.66 137.73) =  51.750%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.27 +/- 0.37  80.518% * 16.7526% (0.20   5.98 137.73) =  48.244%  kept
          QB    LYS+ 106 - HA    ILE  103   5.65 +/- 0.19   0.411% *  0.2267% (0.80   0.02   0.11) =   0.003%
          HB3   ASP- 105 - HA    ILE  103   6.62 +/- 0.14   0.140% *  0.2807% (0.99   0.02   6.52) =   0.001%
          HB3   LYS+  38 - HA    THR   39   4.96 +/- 0.13   0.822% *  0.0233% (0.08   0.02  30.23) =   0.001%
          QB    LYS+  33 - HA    THR   39   8.65 +/- 0.70   0.033% *  0.0885% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  12.01 +/- 0.77   0.005% *  0.0933% (0.33   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  11.20 +/- 1.15   0.007% *  0.0706% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.20 +/- 0.54   0.001% *  0.2679% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  13.37 +/- 0.30   0.002% *  0.0927% (0.33   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  13.80 +/- 0.34   0.002% *  0.0936% (0.33   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  14.85 +/- 0.22   0.001% *  0.0749% (0.26   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  19.22 +/- 0.38   0.000% *  0.2825% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  12.43 +/- 0.69   0.003% *  0.0185% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  18.40 +/- 0.35   0.000% *  0.1164% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.58 +/- 0.27   0.000% *  0.1063% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  24.36 +/- 1.00   0.000% *  0.2365% (0.84   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.67 +/- 0.41   0.000% *  0.2825% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  25.41 +/- 0.46   0.000% *  0.2540% (0.90   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  18.66 +/- 0.85   0.000% *  0.0385% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.93 +/- 0.77   0.000% *  0.1164% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.41 +/- 0.40   0.000% *  0.0351% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  28.13 +/- 0.70   0.000% *  0.0933% (0.33   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  28.19 +/- 0.80   0.000% *  0.0781% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  31.95 +/- 0.33   0.000% *  0.0839% (0.30   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.42 +/- 0.73   0.000% *  0.0385% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.915, support = 5.32, residual support = 137.7:
    * O T QG2   ILE  103 - HA    ILE  103   2.69 +/- 0.07  67.373% * 69.9582% (1.00   5.40 137.73) =  84.597%  kept
        T QD1   ILE  103 - HA    ILE  103   3.16 +/- 0.51  30.121% * 28.4755% (0.45   4.90 137.73) =  15.395%  kept
          QD2   LEU   40 - HA    ILE  103   5.11 +/- 0.30   1.535% *  0.2502% (0.97   0.02   0.02) =   0.007%
          QD2   LEU   40 - HA    THR   39   5.76 +/- 0.15   0.710% *  0.0827% (0.32   0.02  24.53) =   0.001%
          QD1   LEU   67 - HA    ILE  103   9.70 +/- 0.46   0.031% *  0.2542% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.39 +/- 0.69   0.080% *  0.0840% (0.32   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    THR   39   7.83 +/- 0.55   0.115% *  0.0485% (0.19   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  11.56 +/- 0.17   0.011% *  0.0857% (0.33   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  13.26 +/- 0.17   0.005% *  0.1468% (0.57   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  11.62 +/- 0.69   0.010% *  0.0384% (0.15   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  15.28 +/- 0.45   0.002% *  0.1066% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.77 +/- 0.28   0.002% *  0.0721% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.91 +/- 0.40   0.001% *  0.2542% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.39 +/- 0.57   0.000% *  0.0840% (0.32   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.29 +/- 0.60   0.001% *  0.0238% (0.09   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.56 +/- 0.46   0.001% *  0.0352% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.654, support = 5.1, residual support = 137.7:
    *   T QD1   ILE  103 - HA    ILE  103   3.16 +/- 0.51  30.122% * 76.1054% (0.92   4.90 137.73) =  60.040%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.69 +/- 0.07  67.375% * 22.6432% (0.25   5.40 137.73) =  39.957%  kept
          QD2   LEU   40 - HA    ILE  103   5.11 +/- 0.30   1.535% *  0.0519% (0.15   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    THR   39   5.76 +/- 0.15   0.710% *  0.0172% (0.05   0.02  24.53) =   0.000%
          QD2   LEU   71 - HA    THR   39   7.83 +/- 0.55   0.115% *  0.0929% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103   9.70 +/- 0.46   0.031% *  0.0589% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.39 +/- 0.69   0.080% *  0.0195% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  13.26 +/- 0.17   0.005% *  0.2811% (0.84   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  11.62 +/- 0.69   0.010% *  0.1026% (0.30   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.77 +/- 0.28   0.002% *  0.3358% (1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  11.56 +/- 0.17   0.011% *  0.0277% (0.08   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.29 +/- 0.60   0.001% *  0.1109% (0.33   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.91 +/- 0.40   0.001% *  0.1148% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.39 +/- 0.57   0.000% *  0.0379% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 137.7:
    * O T HA    ILE  103 - HB    ILE  103   2.96 +/- 0.03  99.978% * 97.5596% (1.00   5.66 137.73) = 100.000%  kept
          HA    ASP-  44 - HB    ILE  103  13.99 +/- 0.29   0.009% *  0.3260% (0.95   0.02   0.02) =   0.000%
        T HA    THR   39 - HB    ILE  103  13.80 +/- 0.34   0.010% *  0.2503% (0.73   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  19.98 +/- 0.50   0.001% *  0.3378% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  24.25 +/- 0.90   0.000% *  0.2760% (0.80   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  20.87 +/- 0.36   0.001% *  0.1064% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  26.83 +/- 0.74   0.000% *  0.3378% (0.98   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  27.27 +/- 0.76   0.000% *  0.2090% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  26.87 +/- 1.21   0.000% *  0.0958% (0.28   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  33.78 +/- 2.69   0.000% *  0.3182% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  26.56 +/- 1.69   0.000% *  0.0767% (0.22   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  31.60 +/- 2.47   0.000% *  0.1064% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.856, support = 4.92, residual support = 137.7:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  54.545% * 69.4970% (1.00   5.00 137.73) =  73.987%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.24 +/- 0.35  45.423% * 29.3408% (0.45   4.71 137.73) =  26.013%  kept
          QD2   LEU   40 - HB    ILE  103   7.49 +/- 0.33   0.029% *  0.2683% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  11.76 +/- 0.44   0.002% *  0.2725% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.59 +/- 0.15   0.000% *  0.1574% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  16.42 +/- 0.50   0.000% *  0.1143% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.89 +/- 0.23   0.000% *  0.0773% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.68 +/- 0.46   0.000% *  0.2725% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.75, support = 4.78, residual support = 137.7:
    * O T QD1   ILE  103 - HB    ILE  103   2.24 +/- 0.35  45.423% * 77.0198% (0.92   4.71 137.73) =  74.380%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  54.545% * 22.0929% (0.25   5.00 137.73) =  25.620%  kept
          QD2   LEU   40 - HB    ILE  103   7.49 +/- 0.33   0.029% *  0.0547% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  11.76 +/- 0.44   0.002% *  0.0621% (0.18   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.89 +/- 0.23   0.000% *  0.3536% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.59 +/- 0.15   0.000% *  0.2960% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.68 +/- 0.46   0.000% *  0.1209% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 5.4, residual support = 137.7:
    * O T HA    ILE  103 - QG2   ILE  103   2.69 +/- 0.07  99.943% * 97.4427% (1.00   5.40 137.73) = 100.000%  kept
          HA    ASP-  44 - QG2   ILE  103  10.24 +/- 0.34   0.033% *  0.3416% (0.95   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   ILE  103  11.56 +/- 0.17   0.016% *  0.2622% (0.73   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  15.73 +/- 0.49   0.003% *  0.3540% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  15.69 +/- 0.38   0.003% *  0.1115% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  19.61 +/- 0.82   0.001% *  0.2892% (0.80   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  21.86 +/- 0.67   0.000% *  0.3540% (0.98   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  21.15 +/- 0.61   0.000% *  0.2190% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.54 +/- 1.44   0.000% *  0.0804% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  22.18 +/- 1.07   0.000% *  0.1004% (0.28   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  27.80 +/- 2.14   0.000% *  0.3334% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  25.89 +/- 2.00   0.000% *  0.1115% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.984, support = 4.69, residual support = 126.4:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.01  62.710% * 81.3216% (1.00   5.00 137.73) =  91.780%  kept
          QB    LYS+ 106 - QG2   ILE  103   2.47 +/- 0.27  27.972% * 16.3006% (0.80   1.25   0.11) =   8.206%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.97 +/- 0.20   8.590% *  0.0644% (0.20   0.02 137.73) =   0.010%
          HB3   ASP- 105 - QG2   ILE  103   4.46 +/- 0.23   0.723% *  0.3224% (0.99   0.02   6.52) =   0.004%
          QB    LYS+  33 - QG2   ILE  103  13.91 +/- 0.52   0.001% *  0.3077% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  11.91 +/- 0.89   0.002% *  0.0811% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.18 +/- 0.35   0.001% *  0.1221% (0.38   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  14.88 +/- 0.40   0.001% *  0.1337% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  17.33 +/- 0.38   0.000% *  0.3246% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  19.94 +/- 0.42   0.000% *  0.2917% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.62 +/- 0.72   0.000% *  0.1337% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  20.07 +/- 0.97   0.000% *  0.2717% (0.84   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.65 +/- 0.43   0.000% *  0.3246% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.923, support = 4.9, residual support = 137.7:
    *   T HA    ILE  103 - QD1   ILE  103   3.16 +/- 0.51  99.842% * 97.1906% (0.92   4.90 137.73) =  99.999%  kept
          HA    ASP-  44 - QD1   ILE  103  10.81 +/- 0.80   0.083% *  0.3753% (0.87   0.02   0.02) =   0.000%
        T HA    THR   39 - QD1   ILE  103  11.62 +/- 0.69   0.047% *  0.2881% (0.67   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  15.20 +/- 0.58   0.011% *  0.3889% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  18.47 +/- 0.65   0.003% *  0.3177% (0.74   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  20.68 +/- 0.62   0.002% *  0.3889% (0.90   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.94 +/- 0.87   0.006% *  0.1225% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  21.93 +/- 0.88   0.001% *  0.2406% (0.56   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103  20.66 +/- 0.98   0.002% *  0.1103% (0.26   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  27.58 +/- 2.39   0.000% *  0.3663% (0.85   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.56 +/- 1.56   0.001% *  0.0883% (0.21   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  25.72 +/- 2.27   0.001% *  0.1225% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.796, support = 4.69, residual support = 137.7:
    * O T HB    ILE  103 - QD1   ILE  103   2.24 +/- 0.35  45.909% * 81.4473% (0.92   4.71 137.73) =  82.893%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.14 +/- 0.02  48.698% * 15.8153% (0.18   4.62 137.73) =  17.074%  kept
          QB    LYS+ 106 - QD1   ILE  103   4.04 +/- 0.83   5.306% *  0.2770% (0.74   0.02   0.11) =   0.033%
          HB3   ASP- 105 - QD1   ILE  103   7.25 +/- 0.94   0.082% *  0.3429% (0.91   0.02   6.52) =   0.001%
          QB    LYS+  33 - QD1   ILE  103  12.79 +/- 0.75   0.001% *  0.3273% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  11.35 +/- 1.20   0.003% *  0.0863% (0.23   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.82 +/- 0.90   0.000% *  0.1298% (0.35   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  18.67 +/- 0.86   0.000% *  0.3452% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  18.87 +/- 0.96   0.000% *  0.2890% (0.77   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  19.72 +/- 0.90   0.000% *  0.3103% (0.83   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  17.62 +/- 0.89   0.000% *  0.1422% (0.38   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  21.73 +/- 0.77   0.000% *  0.3452% (0.92   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  18.88 +/- 1.04   0.000% *  0.1422% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.866, support = 5.98, residual support = 219.1:
    * O T HB2   LEU  104 - HA    LEU  104   3.02 +/- 0.01  99.946% * 99.1464% (0.87   5.98 219.07) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  11.91 +/- 1.07   0.030% *  0.3690% (0.96   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  13.87 +/- 0.23   0.011% *  0.2165% (0.56   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  13.57 +/- 0.65   0.013% *  0.0670% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  21.12 +/- 0.70   0.001% *  0.2012% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 5.31, residual support = 219.1:
    * O T HB3   LEU  104 - HA    LEU  104   2.47 +/- 0.06  99.942% * 97.9440% (0.76   5.31 219.07) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104   9.29 +/- 0.55   0.038% *  0.4663% (0.96   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  12.03 +/- 0.45   0.008% *  0.4789% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  13.67 +/- 0.57   0.004% *  0.4789% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  12.47 +/- 0.33   0.006% *  0.1986% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  15.56 +/- 1.32   0.002% *  0.4333% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 5.81, residual support = 219.1:
    * O T HG    LEU  104 - HA    LEU  104   3.37 +/- 0.32  98.648% * 98.3861% (1.00   5.81 219.07) =  99.997%  kept
          HB3   LYS+ 121 - HA    LEU  104   8.60 +/- 0.65   0.434% *  0.3388% (1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HA    LEU  104   8.16 +/- 1.04   0.886% *  0.1046% (0.31   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LEU  104  15.79 +/- 0.58   0.011% *  0.3321% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  15.74 +/- 0.64   0.010% *  0.2327% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  20.39 +/- 0.48   0.002% *  0.3270% (0.96   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  18.90 +/- 1.63   0.004% *  0.1272% (0.37   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  20.16 +/- 0.41   0.002% *  0.0845% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  19.79 +/- 0.39   0.003% *  0.0671% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 219.1:
    *   T QD1   LEU  104 - HA    LEU  104   3.51 +/- 0.38  99.734% * 98.6497% (0.96   5.31 219.07) = 100.000%  kept
        T QD1   LEU   63 - HA    LEU  104  10.10 +/- 0.35   0.192% *  0.1584% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.35 +/- 0.39   0.037% *  0.2945% (0.76   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU  104  13.94 +/- 0.44   0.029% *  0.1584% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  21.36 +/- 1.01   0.002% *  0.3086% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  22.11 +/- 1.50   0.002% *  0.3343% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  19.61 +/- 0.61   0.004% *  0.0961% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.94, residual support = 219.1:
    *   T QD2   LEU  104 - HA    LEU  104   2.10 +/- 0.39  99.657% * 98.9775% (1.00   5.94 219.07) = 100.000%  kept
        T QD1   LEU   98 - HA    LEU  104   6.33 +/- 0.44   0.264% *  0.1029% (0.31   0.02   6.99) =   0.000%
        T QG1   VAL   41 - HA    LEU  104   8.18 +/- 0.35   0.057% *  0.0660% (0.20   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104   9.93 +/- 0.44   0.019% *  0.1138% (0.34   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  15.53 +/- 0.74   0.001% *  0.1888% (0.56   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.34 +/- 0.37   0.001% *  0.3219% (0.96   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  17.70 +/- 0.45   0.001% *  0.2291% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 219.1:
    * O T HA    LEU  104 - HB2   LEU  104   3.02 +/- 0.01  99.999% * 99.1536% (0.87   5.98 219.07) = 100.000%  kept
          HA    GLU-  14 - HB2   LEU  104  21.74 +/- 1.35   0.001% *  0.2540% (0.66   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  26.84 +/- 1.85   0.000% *  0.2150% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   LEU  104  27.34 +/- 0.59   0.000% *  0.1490% (0.39   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  30.47 +/- 0.78   0.000% *  0.2283% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 5.34, residual support = 219.1:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.967% * 97.9569% (0.66   5.34 219.07) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   7.03 +/- 0.47   0.026% *  0.4634% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  10.61 +/- 0.48   0.002% *  0.4759% (0.86   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104   9.79 +/- 0.35   0.003% *  0.1974% (0.36   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  11.51 +/- 0.63   0.001% *  0.4759% (0.86   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  13.16 +/- 1.36   0.001% *  0.4306% (0.78   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 5.9, residual support = 219.1:
    * O T HG    LEU  104 - HB2   LEU  104   2.38 +/- 0.23  99.760% * 98.4101% (0.87   5.90 219.07) =  99.999%  kept
          HB3   LYS+ 121 - HB2   LEU  104   7.76 +/- 0.84   0.130% *  0.3338% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  104   8.03 +/- 1.17   0.101% *  0.1030% (0.27   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  13.68 +/- 0.60   0.004% *  0.2293% (0.60   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  15.17 +/- 0.57   0.002% *  0.3272% (0.85   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  17.86 +/- 0.54   0.001% *  0.3221% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  16.72 +/- 1.69   0.001% *  0.1253% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  17.31 +/- 0.41   0.001% *  0.0832% (0.22   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.84 +/- 0.39   0.001% *  0.0661% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 5.34, residual support = 219.1:
    * O T QD1   LEU  104 - HB2   LEU  104   2.64 +/- 0.12  99.850% * 98.6582% (0.84   5.34 219.07) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   8.15 +/- 0.38   0.126% *  0.1574% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  12.08 +/- 0.48   0.011% *  0.2926% (0.66   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  12.06 +/- 0.43   0.012% *  0.1574% (0.36   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  19.98 +/- 0.93   0.001% *  0.3066% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  21.26 +/- 1.25   0.000% *  0.3322% (0.75   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  18.64 +/- 0.49   0.001% *  0.0955% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.867, support = 6.06, residual support = 219.1:
    * O T QD2   LEU  104 - HB2   LEU  104   3.06 +/- 0.25  95.821% * 98.9977% (0.87   6.06 219.07) =  99.996%  kept
          QD1   LEU   98 - HB2   LEU  104   5.76 +/- 0.53   2.787% *  0.1009% (0.27   0.02   6.99) =   0.003%
        T QG1   VAL   41 - HB2   LEU  104   6.60 +/- 0.39   1.079% *  0.0647% (0.17   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   8.22 +/- 0.41   0.283% *  0.1115% (0.30   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  13.10 +/- 0.71   0.018% *  0.1851% (0.49   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.09 +/- 0.39   0.007% *  0.3155% (0.84   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  15.76 +/- 0.47   0.006% *  0.2246% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 219.1:
    * O T HA    LEU  104 - HB3   LEU  104   2.47 +/- 0.06 100.000% * 99.0471% (0.76   5.31 219.07) = 100.000%  kept
          HA    GLU-  14 - HB3   LEU  104  22.63 +/- 1.28   0.000% *  0.2860% (0.58   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  27.62 +/- 1.78   0.000% *  0.2421% (0.49   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   LEU  104  28.72 +/- 0.62   0.000% *  0.1678% (0.34   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  31.94 +/- 0.83   0.000% *  0.2571% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 5.34, residual support = 219.1:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.997% * 99.0452% (0.66   5.34 219.07) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  12.56 +/- 1.00   0.001% *  0.4128% (0.74   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  12.52 +/- 0.30   0.001% *  0.2421% (0.43   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  11.61 +/- 0.75   0.001% *  0.0749% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.25 +/- 0.76   0.000% *  0.2250% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 5.26, residual support = 219.1:
    * O T HG    LEU  104 - HB3   LEU  104   2.89 +/- 0.19  98.310% * 98.2212% (0.76   5.26 219.07) =  99.996%  kept
          HB3   LYS+ 121 - HB3   LEU  104   7.08 +/- 0.74   0.584% *  0.3734% (0.76   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HB3   LEU  104   7.15 +/- 1.36   1.085% *  0.1153% (0.24   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  13.62 +/- 0.66   0.010% *  0.2565% (0.52   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  15.65 +/- 0.61   0.004% *  0.3660% (0.75   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  19.30 +/- 0.62   0.001% *  0.3604% (0.74   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  17.99 +/- 1.65   0.002% *  0.1402% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  17.97 +/- 0.49   0.002% *  0.0931% (0.19   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  19.19 +/- 0.37   0.001% *  0.0739% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.738, support = 5.0, residual support = 219.1:
    * O T QD1   LEU  104 - HB3   LEU  104   2.21 +/- 0.30  99.942% * 98.5685% (0.74   5.00 219.07) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104   8.66 +/- 0.47   0.050% *  0.1680% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  12.25 +/- 0.46   0.005% *  0.3122% (0.58   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  13.45 +/- 0.42   0.003% *  0.1680% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  21.40 +/- 0.93   0.000% *  0.3271% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  22.60 +/- 1.30   0.000% *  0.3544% (0.66   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  19.83 +/- 0.53   0.000% *  0.1019% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.764, support = 5.47, residual support = 219.1:
    * O T QD2   LEU  104 - HB3   LEU  104   2.73 +/- 0.21  99.290% * 98.8922% (0.76   5.47 219.07) =  99.999%  kept
          QD1   LEU   98 - HB3   LEU  104   7.00 +/- 0.49   0.441% *  0.1115% (0.24   0.02   6.99) =   0.001%
        T QG1   VAL   41 - HB3   LEU  104   7.82 +/- 0.35   0.200% *  0.0715% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104   9.67 +/- 0.40   0.058% *  0.1233% (0.26   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  14.12 +/- 0.67   0.006% *  0.2046% (0.43   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  16.28 +/- 0.42   0.002% *  0.3487% (0.74   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  16.95 +/- 0.48   0.002% *  0.2482% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 5.81, residual support = 219.1:
    * O T HA    LEU  104 - HG    LEU  104   3.37 +/- 0.32  99.997% * 99.1288% (1.00   5.81 219.07) = 100.000%  kept
          HA    GLU-  14 - HG    LEU  104  21.58 +/- 1.67   0.002% *  0.2615% (0.76   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  26.46 +/- 2.25   0.001% *  0.2213% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HG    LEU  104  28.30 +/- 0.69   0.000% *  0.1534% (0.45   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  31.28 +/- 0.85   0.000% *  0.2350% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.9, residual support = 219.1:
    * O T HB2   LEU  104 - HG    LEU  104   2.38 +/- 0.23  99.989% * 99.1347% (0.87   5.90 219.07) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  13.31 +/- 0.97   0.004% *  0.3741% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  14.19 +/- 0.30   0.003% *  0.2194% (0.57   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  13.06 +/- 0.92   0.004% *  0.0679% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  22.07 +/- 0.73   0.000% *  0.2039% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.26, residual support = 219.1:
    * O T HB3   LEU  104 - HG    LEU  104   2.89 +/- 0.19  99.380% * 97.9270% (0.76   5.26 219.07) =  99.997%  kept
          QG1   VAL   70 - HG    LEU  104   7.18 +/- 0.71   0.522% *  0.4701% (0.97   0.02   0.02) =   0.003%
          QD1   LEU   71 - HG    LEU  104  11.15 +/- 0.89   0.038% *  0.4829% (0.99   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  11.99 +/- 0.57   0.021% *  0.4829% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  11.44 +/- 0.57   0.029% *  0.2003% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  13.96 +/- 1.48   0.011% *  0.4369% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 5.26, residual support = 219.1:
    * O T QD1   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.985% * 98.6384% (0.97   5.26 219.07) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104   9.83 +/- 0.55   0.011% *  0.1598% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  12.04 +/- 0.60   0.003% *  0.1598% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  13.96 +/- 0.50   0.001% *  0.2970% (0.76   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  20.35 +/- 0.89   0.000% *  0.3112% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  21.61 +/- 1.27   0.000% *  0.3371% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  19.69 +/- 0.54   0.000% *  0.0969% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 1.0, support = 5.88, residual support = 219.1:
    * O T QD2   LEU  104 - HG    LEU  104   2.13 +/- 0.01  99.365% * 98.9672% (1.00   5.88 219.07) =  99.999%  kept
          QD1   LEU   98 - HG    LEU  104   5.75 +/- 0.63   0.335% *  0.1040% (0.31   0.02   6.99) =   0.000%
        T QG1   VAL   41 - HG    LEU  104   5.84 +/- 0.67   0.274% *  0.0667% (0.20   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU  104   8.67 +/- 0.56   0.023% *  0.1149% (0.34   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.02 +/- 0.64   0.001% *  0.3251% (0.97   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  13.97 +/- 0.83   0.001% *  0.1907% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  16.94 +/- 0.67   0.000% *  0.2314% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 5.31, residual support = 219.1:
    *   T HA    LEU  104 - QD1   LEU  104   3.51 +/- 0.38  99.645% * 98.5655% (0.96   5.31 219.07) = 100.000%  kept
        T HA    LEU  104 - QD1   LEU   63  10.10 +/- 0.35   0.192% *  0.0684% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  12.90 +/- 1.44   0.069% *  0.0524% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  17.54 +/- 1.22   0.008% *  0.2846% (0.74   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  13.94 +/- 0.44   0.029% *  0.0684% (0.18   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  17.04 +/- 2.57   0.027% *  0.0444% (0.11   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  16.45 +/- 0.83   0.011% *  0.0524% (0.14   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  21.49 +/- 1.56   0.002% *  0.2409% (0.62   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  19.31 +/- 0.50   0.004% *  0.0471% (0.12   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  18.25 +/- 0.81   0.006% *  0.0308% (0.08   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  25.03 +/- 0.77   0.001% *  0.1670% (0.43   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  27.52 +/- 0.93   0.000% *  0.2558% (0.66   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  21.13 +/- 1.04   0.002% *  0.0444% (0.11   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  21.84 +/- 0.46   0.002% *  0.0308% (0.08   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  24.37 +/- 0.46   0.001% *  0.0471% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 0.732, support = 5.38, residual support = 222.3:
    * O T HB2   LEU  104 - QD1   LEU  104   2.64 +/- 0.12  20.223% * 94.8929% (0.84   5.34 219.07) =  86.909%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.01  77.311% *  3.7376% (0.03   5.66 243.47) =  13.086%  kept
        T QD1   ILE  119 - QD1   LEU   63   4.02 +/- 0.58   2.407% *  0.0427% (0.10   0.02   0.02) =   0.005%
        T HB2   LEU  104 - QD1   LEU   63   8.15 +/- 0.38   0.024% *  0.0655% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  11.98 +/- 1.00   0.003% *  0.3955% (0.93   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU  104  11.48 +/- 0.41   0.003% *  0.2320% (0.55   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   9.62 +/- 0.51   0.009% *  0.0728% (0.17   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.44 +/- 0.62   0.006% *  0.0718% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.69 +/- 0.96   0.010% *  0.0397% (0.09   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  12.06 +/- 0.43   0.002% *  0.0655% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  12.87 +/- 0.86   0.002% *  0.0728% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.53 +/- 0.66   0.000% *  0.2156% (0.51   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  14.40 +/- 0.44   0.001% *  0.0427% (0.10   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  13.67 +/- 0.57   0.001% *  0.0132% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.50 +/- 0.76   0.000% *  0.0397% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.699, support = 5.05, residual support = 220.5:
    * O T HB3   LEU  104 - QD1   LEU  104   2.21 +/- 0.30  63.980% * 87.0166% (0.74   5.00 219.07) =  94.245%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.47 +/- 0.13  33.167% * 10.2377% (0.07   5.94 243.47) =   5.748%  kept
          QG1   VAL   70 - QD1   LEU  104   5.27 +/- 0.72   0.431% *  0.4395% (0.93   0.02   0.02) =   0.003%
          QD1   LEU   71 - QD1   LEU   73   4.62 +/- 1.10   1.716% *  0.0831% (0.18   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   5.34 +/- 0.30   0.331% *  0.0831% (0.18   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.43 +/- 0.59   0.116% *  0.0752% (0.16   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.59 +/- 0.55   0.102% *  0.0810% (0.17   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   9.12 +/- 0.59   0.013% *  0.4514% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.20 +/- 0.90   0.071% *  0.0752% (0.16   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.46 +/- 0.66   0.011% *  0.4514% (0.96   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.14 +/- 0.61   0.015% *  0.1872% (0.40   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  11.78 +/- 1.10   0.003% *  0.4085% (0.87   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63   8.66 +/- 0.47   0.019% *  0.0641% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   9.22 +/- 0.44   0.012% *  0.0810% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.27 +/- 0.85   0.007% *  0.0831% (0.18   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  11.78 +/- 0.47   0.003% *  0.0345% (0.07   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  13.45 +/- 0.42   0.001% *  0.0641% (0.14   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.83 +/- 0.42   0.001% *  0.0831% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 5.26, residual support = 219.1:
    * O T HG    LEU  104 - QD1   LEU  104   2.12 +/- 0.01  98.495% * 97.4487% (0.97   5.26 219.07) =  99.999%  kept
          HB3   LYS+ 121 - QD1   LEU  104   7.41 +/- 0.82   0.066% *  0.3705% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   6.00 +/- 0.39   0.211% *  0.0682% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  104   7.65 +/- 1.39   0.101% *  0.1143% (0.30   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   4.77 +/- 0.15   0.768% *  0.0135% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.17 +/- 0.71   0.089% *  0.0469% (0.12   0.02   6.12) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.84 +/- 0.80   0.112% *  0.0256% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63   8.87 +/- 0.47   0.019% *  0.0669% (0.17   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   8.87 +/- 0.33   0.019% *  0.0659% (0.17   0.02  45.79) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   7.56 +/- 0.67   0.057% *  0.0211% (0.05   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  11.40 +/- 0.66   0.004% *  0.2545% (0.66   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63   9.83 +/- 0.55   0.010% *  0.0682% (0.18   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   9.80 +/- 0.56   0.011% *  0.0659% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.43 +/- 0.23   0.025% *  0.0170% (0.04   0.02   1.22) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  14.97 +/- 0.48   0.001% *  0.3632% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.48 +/- 1.28   0.002% *  0.1390% (0.36   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  12.04 +/- 0.60   0.003% *  0.0682% (0.18   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.49 +/- 0.60   0.000% *  0.3575% (0.93   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  14.87 +/- 0.61   0.001% *  0.0924% (0.24   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  15.37 +/- 0.46   0.001% *  0.0733% (0.19   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  15.27 +/- 0.55   0.001% *  0.0469% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  16.40 +/- 0.53   0.000% *  0.0682% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.80 +/- 0.86   0.001% *  0.0170% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.19 +/- 0.50   0.000% *  0.0669% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  16.04 +/- 1.45   0.001% *  0.0256% (0.07   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  14.46 +/- 0.42   0.001% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  17.23 +/- 0.84   0.000% *  0.0211% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.965, support = 5.5, residual support = 219.1:
    * O T QD2   LEU  104 - QD1   LEU  104   2.10 +/- 0.02  93.883% * 98.3690% (0.97   5.50 219.07) =  99.997%  kept
          QG1   VAL   43 - QD1   LEU   73   3.70 +/- 0.32   3.668% *  0.0225% (0.06   0.02   9.21) =   0.001%
          QD1   ILE   19 - QD1   LEU   73   4.56 +/- 0.25   0.951% *  0.0635% (0.17   0.02   4.00) =   0.001%
          QD1   LEU   98 - QD1   LEU  104   6.03 +/- 0.86   0.403% *  0.1103% (0.30   0.02   6.99) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   5.58 +/- 0.45   0.332% *  0.0707% (0.19   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   73   5.52 +/- 0.47   0.357% *  0.0130% (0.04   0.02   0.23) =   0.000%
        T QG2   VAL   18 - QD1   LEU   63   6.76 +/- 0.71   0.108% *  0.0373% (0.10   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.15 +/- 0.52   0.031% *  0.1219% (0.33   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.26 +/- 0.59   0.062% *  0.0373% (0.10   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   7.47 +/- 0.88   0.063% *  0.0203% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.47 +/- 0.33   0.023% *  0.0452% (0.12   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   9.17 +/- 0.57   0.015% *  0.0658% (0.18   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   8.77 +/- 0.56   0.019% *  0.0452% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.76 +/- 0.31   0.038% *  0.0225% (0.06   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  11.67 +/- 0.77   0.003% *  0.2023% (0.55   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  12.77 +/- 0.54   0.002% *  0.3449% (0.93   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   9.01 +/- 1.18   0.021% *  0.0203% (0.05   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  11.13 +/- 0.75   0.005% *  0.0658% (0.18   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.66 +/- 0.63   0.001% *  0.2455% (0.66   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  11.73 +/- 0.33   0.003% *  0.0635% (0.17   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.31 +/- 0.46   0.013% *  0.0130% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.42 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 = 5.94, residual support = 219.1:
    *   T HA    LEU  104 - QD2   LEU  104   2.10 +/- 0.39  99.924% * 98.9040% (1.00   5.94 219.07) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   8.18 +/- 0.35   0.057% *  0.0179% (0.05   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18  10.47 +/- 1.04   0.013% *  0.0392% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  19.31 +/- 1.27   0.000% *  0.2553% (0.76   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  15.53 +/- 0.74   0.001% *  0.0512% (0.15   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  15.26 +/- 1.34   0.001% *  0.0332% (0.10   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.24 +/- 1.75   0.000% *  0.2161% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  14.47 +/- 1.24   0.002% *  0.0137% (0.04   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  24.21 +/- 0.74   0.000% *  0.1497% (0.45   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  26.77 +/- 0.96   0.000% *  0.2294% (0.69   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  18.51 +/- 2.00   0.000% *  0.0116% (0.03   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  23.20 +/- 0.89   0.000% *  0.0353% (0.11   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  21.76 +/- 0.91   0.000% *  0.0230% (0.07   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  21.47 +/- 0.62   0.000% *  0.0080% (0.02   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  23.29 +/- 0.71   0.000% *  0.0123% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.06, residual support = 219.1:
    * O T HB2   LEU  104 - QD2   LEU  104   3.06 +/- 0.25  98.106% * 98.9172% (0.87   6.06 219.07) =  99.999%  kept
        T HB2   LEU  104 - QG1   VAL   41   6.60 +/- 0.39   1.106% *  0.0175% (0.05   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  11.31 +/- 0.97   0.044% *  0.3634% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  12.54 +/- 0.42   0.022% *  0.2132% (0.57   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   9.43 +/- 0.75   0.139% *  0.0328% (0.09   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   8.23 +/- 0.92   0.435% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  12.03 +/- 0.89   0.032% *  0.0660% (0.18   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  13.10 +/- 0.71   0.018% *  0.0502% (0.13   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  13.66 +/- 0.88   0.014% *  0.0558% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.17 +/- 0.99   0.029% *  0.0195% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  19.17 +/- 0.67   0.002% *  0.1981% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  14.54 +/- 0.99   0.010% *  0.0304% (0.08   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  13.54 +/- 0.39   0.014% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  12.29 +/- 0.73   0.028% *  0.0035% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  19.87 +/- 0.73   0.001% *  0.0106% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.521, support = 4.9, residual support = 164.4:
    * O T HB3   LEU  104 - QD2   LEU  104   2.73 +/- 0.21  17.044% * 86.4725% (0.76   5.47 219.07) =  61.167%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.07 +/- 0.05  82.110% * 11.3948% (0.14   4.00  78.31) =  38.831%  kept
          QG1   VAL   70 - QD2   LEU  104   7.06 +/- 0.77   0.064% *  0.3990% (0.97   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG1   VAL   41   5.26 +/- 0.48   0.365% *  0.0220% (0.05   0.02   2.75) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   6.95 +/- 1.00   0.096% *  0.0630% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.77 +/- 0.97   0.054% *  0.0613% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.11 +/- 0.21   0.127% *  0.0214% (0.05   0.02   2.74) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.45 +/- 0.55   0.005% *  0.4098% (0.99   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.58 +/- 0.61   0.005% *  0.4098% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.03 +/- 0.74   0.068% *  0.0261% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  10.84 +/- 0.61   0.004% *  0.1700% (0.41   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.91 +/- 1.24   0.002% *  0.3708% (0.90   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   7.82 +/- 0.35   0.030% *  0.0170% (0.04   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.40 +/- 0.75   0.006% *  0.0630% (0.15   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.19 +/- 0.97   0.013% *  0.0199% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.32 +/- 0.35   0.005% *  0.0091% (0.02   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  14.12 +/- 0.67   0.001% *  0.0486% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.50 +/- 0.45   0.002% *  0.0220% (0.05   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 = 5.88, residual support = 219.1:
    * O T HG    LEU  104 - QD2   LEU  104   2.13 +/- 0.01  96.582% * 97.8766% (1.00   5.88 219.07) =  99.996%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.58 +/- 1.60   2.373% *  0.1510% (0.04   0.24   0.02) =   0.004%
          HD3   LYS+  74 - QG2   VAL   18   5.40 +/- 0.96   0.549% *  0.0494% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD2   LEU  104   8.45 +/- 0.59   0.027% *  0.3332% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   8.21 +/- 1.32   0.062% *  0.1028% (0.31   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   5.84 +/- 0.67   0.266% *  0.0179% (0.05   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.45 +/- 0.93   0.015% *  0.0352% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.68 +/- 1.21   0.077% *  0.0067% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.26 +/- 0.86   0.002% *  0.2288% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  14.96 +/- 0.47   0.001% *  0.3266% (0.98   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   9.28 +/- 0.72   0.016% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.31 +/- 1.36   0.001% *  0.1250% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.37 +/- 0.59   0.000% *  0.3215% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  11.96 +/- 1.18   0.004% *  0.0192% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  13.85 +/- 0.87   0.001% *  0.0512% (0.15   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  13.97 +/- 0.83   0.001% *  0.0512% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.44 +/- 0.67   0.003% *  0.0179% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  14.99 +/- 0.88   0.001% *  0.0502% (0.15   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.86 +/- 0.69   0.001% *  0.0659% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  16.81 +/- 0.64   0.000% *  0.0831% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.99 +/- 0.39   0.009% *  0.0035% (0.01   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.22 +/- 0.33   0.002% *  0.0173% (0.05   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.66 +/- 0.48   0.001% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.33 +/- 1.30   0.001% *  0.0158% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  12.96 +/- 1.21   0.002% *  0.0055% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  16.45 +/- 0.69   0.000% *  0.0175% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  14.57 +/- 0.58   0.001% *  0.0045% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 219.1:
    * O T QD1   LEU  104 - QD2   LEU  104   2.10 +/- 0.02  99.027% * 98.3593% (0.97   5.50 219.07) = 100.000%  kept
        T QD1   LEU  104 - QG1   VAL   41   5.58 +/- 0.45   0.359% *  0.0192% (0.05   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG1   VAL   41   5.52 +/- 0.47   0.373% *  0.0082% (0.02   0.02   0.23) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.76 +/- 0.71   0.114% *  0.0234% (0.06   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.17 +/- 0.57   0.016% *  0.1522% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.26 +/- 0.59   0.065% *  0.0234% (0.06   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  11.13 +/- 0.75   0.005% *  0.1522% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  12.30 +/- 0.43   0.003% *  0.2830% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  10.03 +/- 0.67   0.009% *  0.0435% (0.12   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  11.67 +/- 0.77   0.004% *  0.0549% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  12.60 +/- 1.20   0.003% *  0.0456% (0.12   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.31 +/- 0.46   0.014% *  0.0082% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  17.86 +/- 1.10   0.000% *  0.2965% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  18.68 +/- 1.28   0.000% *  0.3212% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  17.15 +/- 0.63   0.000% *  0.0923% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  15.87 +/- 0.82   0.001% *  0.0494% (0.13   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  13.21 +/- 0.68   0.002% *  0.0159% (0.04   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  13.21 +/- 0.82   0.002% *  0.0142% (0.04   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.48 +/- 0.50   0.001% *  0.0152% (0.04   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  14.87 +/- 0.95   0.001% *  0.0173% (0.05   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  14.69 +/- 0.48   0.001% *  0.0050% (0.01   0.02   0.02) =   0.000%
    Distance limit 2.50 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 = 3.0, residual support = 39.3:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.42 +/- 0.16  99.930% * 97.0915% (0.95   3.00  39.27) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   8.69 +/- 0.15   0.052% *  0.4150% (0.61   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  13.87 +/- 0.34   0.003% *  0.6707% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  11.33 +/- 0.22   0.010% *  0.1198% (0.18   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.21 +/- 0.39   0.004% *  0.1523% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  18.39 +/- 1.19   0.001% *  0.4150% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  22.64 +/- 0.48   0.000% *  0.6827% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.30 +/- 0.35   0.000% *  0.3331% (0.49   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  19.74 +/- 0.50   0.000% *  0.1198% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.29 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 = 3.0, residual support = 39.3:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.42 +/- 0.16 100.000% * 98.5606% (0.95   3.00  39.27) = 100.000%  kept
          HB    THR   23 - HB2   ASP- 105  25.31 +/- 0.65   0.000% *  0.5893% (0.85   0.02   0.02) =   0.000%
          HA    LEU   80 - HB2   ASP- 105  25.27 +/- 1.10   0.000% *  0.5022% (0.72   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  23.85 +/- 0.74   0.000% *  0.2466% (0.36   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  23.43 +/- 0.47   0.000% *  0.1014% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 1.0, support = 6.3, residual support = 131.3:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.15 +/- 0.00  98.048% * 97.4005% (1.00   6.30 131.31) =  99.995%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.23 +/- 0.35   1.838% *  0.2683% (0.87   0.02  20.35) =   0.005%
          HB    ILE  103 - HA    LYS+ 106   6.73 +/- 0.29   0.108% *  0.2476% (0.80   0.02   0.11) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.60 +/- 0.26   0.002% *  0.2363% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.92 +/- 0.24   0.002% *  0.0860% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  17.33 +/- 0.45   0.000% *  0.2925% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  17.16 +/- 0.89   0.000% *  0.1876% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.80 +/- 0.41   0.000% *  0.1271% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  20.24 +/- 0.40   0.000% *  0.3031% (0.98   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  20.51 +/- 0.47   0.000% *  0.2583% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  20.38 +/- 0.40   0.000% *  0.2363% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  21.67 +/- 1.18   0.000% *  0.3086% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  17.18 +/- 0.29   0.000% *  0.0477% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 5.06, residual support = 131.3:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.90 +/- 0.20  99.247% * 99.1824% (1.00   5.06 131.31) = 100.000%  kept
          HB3   LYS+ 111 - HA    LYS+ 106   9.15 +/- 0.68   0.710% *  0.0605% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  15.04 +/- 0.44   0.032% *  0.0687% (0.18   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HA    LYS+ 106  20.44 +/- 1.21   0.005% *  0.3887% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  19.96 +/- 1.61   0.006% *  0.2997% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 131.3:
    *   T QD    LYS+ 106 - HA    LYS+ 106   4.08 +/- 0.24  98.053% * 97.7688% (1.00   4.80 131.31) =  99.995%  kept
          QG1   ILE   56 - HA    LYS+ 106   9.63 +/- 0.22   0.597% *  0.1983% (0.49   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HA    LYS+ 106  11.45 +/- 0.31   0.213% *  0.4065% (1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+ 106  11.96 +/- 0.62   0.168% *  0.3403% (0.84   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 106  12.34 +/- 0.60   0.140% *  0.3854% (0.95   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HA    LYS+ 106  12.11 +/- 0.88   0.164% *  0.2959% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HA    LYS+ 106  10.93 +/- 0.35   0.284% *  0.1529% (0.38   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.19 +/- 0.74   0.275% *  0.1016% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  13.52 +/- 0.24   0.078% *  0.1675% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  16.12 +/- 0.29   0.027% *  0.1827% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 0.89, support = 4.32, residual support = 83.7:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.60 +/- 0.40  44.812% * 64.4700% (1.00   4.80 131.31) =  59.964%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.43 +/- 0.21  55.025% * 35.0549% (0.73   3.59  12.36) =  40.035%  kept
          HB3   PHE   60 - HA    LYS+ 106  12.42 +/- 0.39   0.116% *  0.2542% (0.95   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+ 106  15.82 +/- 0.64   0.028% *  0.1846% (0.69   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  16.85 +/- 0.78   0.019% *  0.0364% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.3, residual support = 131.3:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.15 +/- 0.00 100.000% *100.0000% (1.00   6.30 131.31) = 100.000%  kept
    Distance limit 3.81 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 = 5.22, residual support = 131.3:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.31 +/- 0.12  99.963% * 99.2076% (1.00   5.22 131.31) = 100.000%  kept
          HB3   LYS+ 111 - QB    LYS+ 106   8.86 +/- 0.56   0.034% *  0.0586% (0.15   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+ 106  18.47 +/- 1.21   0.000% *  0.3767% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  18.58 +/- 1.45   0.000% *  0.2905% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  14.87 +/- 0.41   0.002% *  0.0666% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.04, residual support = 131.3:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.31 +/- 0.22  99.891% * 97.8750% (1.00   5.04 131.31) = 100.000%  kept
        T QD    LYS+  99 - QB    LYS+ 106  10.86 +/- 0.27   0.011% *  0.3872% (1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.91 +/- 0.65   0.011% *  0.3241% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106   9.16 +/- 0.69   0.035% *  0.0968% (0.25   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QB    LYS+ 106  10.06 +/- 0.21   0.017% *  0.1889% (0.49   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.16 +/- 0.80   0.010% *  0.2818% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.02 +/- 0.55   0.006% *  0.3671% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.36 +/- 0.37   0.014% *  0.1456% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  13.06 +/- 0.31   0.003% *  0.1595% (0.41   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  16.03 +/- 0.27   0.001% *  0.1740% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 1.0, support = 5.04, residual support = 131.3:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.62 +/- 0.56  97.046% * 99.0207% (1.00   5.04 131.31) =  99.991%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.18 +/- 0.22   2.932% *  0.2851% (0.73   0.02  12.36) =   0.009%
          HB3   PHE   60 - QB    LYS+ 106  13.00 +/- 0.36   0.012% *  0.3714% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  14.80 +/- 0.70   0.006% *  0.2697% (0.69   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  15.11 +/- 0.79   0.004% *  0.0531% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 5.06, residual support = 131.3:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.90 +/- 0.20  99.988% * 99.6743% (1.00   5.06 131.31) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.96 +/- 1.61   0.006% *  0.2390% (0.61   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  20.44 +/- 1.21   0.005% *  0.0867% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.711, support = 5.38, residual support = 136.2:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.31 +/- 0.12  25.236% * 52.5614% (1.00   5.22 131.31) =  47.256%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.25 +/- 0.10  29.512% * 32.9154% (0.57   5.70 157.63) =  34.606%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.02  44.553% * 11.4249% (0.22   5.17 108.32) =  18.134%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.05 +/- 0.94   0.408% *  0.1612% (0.80   0.02   0.11) =   0.002%
          HB3   ASP- 105 - HG2   LYS+ 106   6.18 +/- 0.39   0.075% *  0.1747% (0.87   0.02  20.35) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.52 +/- 0.77   0.182% *  0.0502% (0.25   0.02   0.10) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.28 +/- 1.34   0.022% *  0.0434% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.84 +/- 1.39   0.002% *  0.0741% (0.37   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  11.16 +/- 2.63   0.006% *  0.0123% (0.06   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.71 +/- 0.69   0.000% *  0.1539% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.20 +/- 1.18   0.000% *  0.0933% (0.46   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  15.18 +/- 0.35   0.000% *  0.0560% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  17.60 +/- 1.33   0.000% *  0.1221% (0.61   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.18 +/- 0.82   0.000% *  0.1905% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.58 +/- 1.45   0.000% *  0.1221% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.19 +/- 1.60   0.000% *  0.1059% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  19.13 +/- 1.59   0.000% *  0.0978% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  16.29 +/- 1.14   0.000% *  0.0370% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  19.37 +/- 0.81   0.000% *  0.0828% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  22.45 +/- 0.58   0.000% *  0.1974% (0.98   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  18.47 +/- 1.21   0.000% *  0.0443% (0.22   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  17.80 +/- 1.17   0.000% *  0.0339% (0.17   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  23.79 +/- 1.37   0.000% *  0.2009% (1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  22.84 +/- 0.45   0.000% *  0.1539% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  23.98 +/- 0.64   0.000% *  0.1682% (0.84   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  23.38 +/- 0.80   0.000% *  0.1219% (0.61   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  20.53 +/- 0.41   0.000% *  0.0419% (0.21   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  18.51 +/- 0.31   0.000% *  0.0182% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.40 +/- 0.72   0.000% *  0.0311% (0.15   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.10 +/- 1.37   0.000% *  0.0933% (0.46   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.11 +/- 1.11   0.000% *  0.1020% (0.51   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  23.05 +/- 0.84   0.000% *  0.0384% (0.19   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  23.78 +/- 1.12   0.000% *  0.0355% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.79 +/- 1.03   0.000% *  0.1197% (0.59   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  25.16 +/- 2.21   0.000% *  0.0340% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.22 +/- 1.28   0.000% *  0.0188% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.62 +/- 1.05   0.000% *  0.0068% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  29.50 +/- 0.68   0.000% *  0.0339% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  28.98 +/- 1.11   0.000% *  0.0269% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 4.13, residual support = 131.3:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.35 +/- 0.12  99.884% * 95.0226% (1.00   4.13 131.31) = 100.000%  kept
          HB2   LEU   73 - HG2   LYS+  33  10.40 +/- 1.21   0.020% *  0.2637% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106   9.37 +/- 1.04   0.039% *  0.1146% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 106  12.06 +/- 0.45   0.006% *  0.4586% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  13.01 +/- 1.54   0.005% *  0.2782% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  13.04 +/- 1.16   0.004% *  0.3338% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.78 +/- 0.55   0.007% *  0.1725% (0.38   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  12.15 +/- 2.11   0.013% *  0.0845% (0.18   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  12.66 +/- 0.52   0.004% *  0.2237% (0.49   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  14.25 +/- 0.80   0.002% *  0.3839% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  15.40 +/- 0.78   0.001% *  0.4348% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  13.52 +/- 1.60   0.004% *  0.1046% (0.23   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  13.55 +/- 1.27   0.004% *  0.0416% (0.09   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  16.48 +/- 0.60   0.001% *  0.1890% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  17.58 +/- 0.82   0.001% *  0.2061% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  15.89 +/- 0.81   0.001% *  0.0957% (0.21   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  20.41 +/- 1.87   0.000% *  0.2788% (0.61   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  15.46 +/- 1.01   0.002% *  0.0492% (0.11   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  17.98 +/- 1.48   0.001% *  0.0695% (0.15   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  20.06 +/- 1.22   0.000% *  0.1357% (0.30   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  20.39 +/- 1.31   0.000% *  0.1011% (0.22   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  25.05 +/- 1.82   0.000% *  0.2329% (0.51   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  22.25 +/- 1.65   0.000% *  0.0734% (0.16   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  25.86 +/- 1.65   0.000% *  0.1250% (0.27   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.42 +/- 1.28   0.000% *  0.1146% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  25.01 +/- 0.88   0.000% *  0.1009% (0.22   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.52 +/- 1.66   0.000% *  0.2024% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  25.88 +/- 0.69   0.000% *  0.0380% (0.08   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  25.30 +/- 0.96   0.000% *  0.0252% (0.05   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  30.62 +/- 1.15   0.000% *  0.0453% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 1.0, support = 4.13, residual support = 131.3:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.63 +/- 0.34  99.138% * 97.4624% (1.00   4.13 131.31) =  99.998%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.40 +/- 0.25   0.645% *  0.3424% (0.73   0.02  12.36) =   0.002%
          HB2   ASN   35 - HG2   LYS+  33   7.81 +/- 0.70   0.172% *  0.0387% (0.08   0.02   0.37) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  10.50 +/- 0.82   0.030% *  0.1964% (0.42   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  16.12 +/- 0.57   0.002% *  0.4460% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  13.94 +/- 0.26   0.006% *  0.0713% (0.15   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  18.60 +/- 0.94   0.001% *  0.3239% (0.69   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.36 +/- 1.64   0.001% *  0.2076% (0.44   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.17 +/- 1.28   0.001% *  0.2705% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  20.74 +/- 1.43   0.001% *  0.2859% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  17.98 +/- 0.97   0.001% *  0.0981% (0.21   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  17.88 +/- 1.27   0.001% *  0.0638% (0.14   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  20.37 +/- 1.57   0.001% *  0.1037% (0.22   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  22.60 +/- 0.96   0.000% *  0.0753% (0.16   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  23.67 +/- 0.69   0.000% *  0.0140% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 131.3:
    *   T HA    LYS+ 106 - QD    LYS+ 106   4.08 +/- 0.24  99.783% * 99.6626% (0.99   4.80 131.31) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.45 +/- 0.31   0.217% *  0.3374% (0.81   0.02   0.02) =   0.001%
    Distance limit 5.50 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 = 0.991, support = 5.04, residual support = 131.3:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.31 +/- 0.22  96.343% * 94.0184% (0.99   5.04 131.31) =  99.988%  kept
          HB    ILE  103 - QD    LYS+ 106   4.91 +/- 0.93   2.655% *  0.2985% (0.79   0.02   0.11) =   0.009%
          HB3   ASP- 105 - QD    LYS+ 106   6.25 +/- 0.60   0.467% *  0.3233% (0.86   0.02  20.35) =   0.002%
          HB3   LYS+  38 - QD    LYS+  99   5.91 +/- 0.57   0.438% *  0.1837% (0.49   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+  99   8.82 +/- 0.42   0.038% *  0.2627% (0.70   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.55 +/- 0.26   0.023% *  0.2425% (0.64   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  10.86 +/- 0.27   0.010% *  0.3028% (0.81   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  11.18 +/- 0.72   0.009% *  0.2864% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  11.86 +/- 0.71   0.006% *  0.2314% (0.62   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  14.28 +/- 0.72   0.002% *  0.2849% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  13.55 +/- 0.53   0.003% *  0.1245% (0.33   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  13.50 +/- 0.54   0.003% *  0.1036% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  16.28 +/- 1.04   0.001% *  0.2261% (0.60   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.69 +/- 0.66   0.001% *  0.3526% (0.94   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  20.05 +/- 0.61   0.000% *  0.3654% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  17.90 +/- 0.75   0.000% *  0.1532% (0.41   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  19.36 +/- 0.54   0.000% *  0.2314% (0.62   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  21.36 +/- 1.33   0.000% *  0.3719% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  21.11 +/- 0.61   0.000% *  0.2849% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  21.72 +/- 0.71   0.000% *  0.3114% (0.83   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.65 +/- 0.77   0.000% *  0.0575% (0.15   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  24.78 +/- 0.78   0.000% *  0.2529% (0.67   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  25.83 +/- 0.95   0.000% *  0.3021% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  19.48 +/- 0.54   0.000% *  0.0467% (0.12   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  21.75 +/- 0.52   0.000% *  0.0842% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  27.90 +/- 0.37   0.000% *  0.2968% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 4.13, residual support = 131.3:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.35 +/- 0.12  99.958% * 97.8275% (0.99   4.13 131.31) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  12.06 +/- 0.45   0.006% *  0.3844% (0.81   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106   9.62 +/- 1.11   0.028% *  0.0730% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  13.01 +/- 1.54   0.005% *  0.2938% (0.62   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  20.39 +/- 1.31   0.000% *  0.4690% (0.98   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  20.41 +/- 1.87   0.000% *  0.3617% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  17.20 +/- 0.39   0.001% *  0.0829% (0.17   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.39 +/- 0.69   0.000% *  0.0673% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  18.32 +/- 0.76   0.000% *  0.0593% (0.12   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  25.01 +/- 0.88   0.000% *  0.3810% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 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 = 0.991, support = 3.0, residual support = 131.3:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.02  99.829% * 96.5668% (0.99   3.00 131.31) =  99.999%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.52 +/- 0.41   0.114% *  0.4675% (0.72   0.02  12.36) =   0.001%
          HB2   PHE   97 - QD    LYS+  99   7.61 +/- 0.37   0.044% *  0.3797% (0.58   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  11.74 +/- 0.97   0.004% *  0.5230% (0.81   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  14.93 +/- 0.49   0.001% *  0.6090% (0.94   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  10.71 +/- 0.39   0.006% *  0.0708% (0.11   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  15.75 +/- 0.59   0.001% *  0.4947% (0.76   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.20 +/- 0.63   0.000% *  0.3592% (0.55   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  17.10 +/- 0.93   0.000% *  0.4422% (0.68   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  16.48 +/- 1.17   0.000% *  0.0871% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.8, residual support = 131.3:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.60 +/- 0.40 100.000% *100.0000% (1.00   4.80 131.31) = 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 = 0.999, support = 5.04, residual support = 131.2:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.62 +/- 0.56  83.010% * 96.7747% (1.00   5.04 131.31) =  99.934%  kept
          HB    ILE  103 - QE    LYS+ 106   5.13 +/- 1.26  14.861% *  0.3072% (0.80   0.02   0.11) =   0.057%
        T HB3   ASP- 105 - QE    LYS+ 106   6.78 +/- 0.99   2.111% *  0.3328% (0.87   0.02  20.35) =   0.009%
          HB    ILE   56 - QE    LYS+ 106  14.53 +/- 1.01   0.005% *  0.2932% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  16.63 +/- 1.58   0.003% *  0.2327% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  13.49 +/- 1.01   0.005% *  0.1067% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.96 +/- 0.82   0.001% *  0.3630% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  19.98 +/- 1.14   0.001% *  0.3761% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  18.20 +/- 0.60   0.001% *  0.1577% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  21.58 +/- 1.16   0.001% *  0.2932% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  21.34 +/- 1.54   0.000% *  0.3828% (1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  21.94 +/- 0.90   0.000% *  0.3205% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  19.00 +/- 1.01   0.001% *  0.0592% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 131.3:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.63 +/- 0.34  99.922% * 99.0016% (1.00   4.13 131.31) = 100.000%  kept
          HB3   LYS+ 111 - QE    LYS+ 106   9.75 +/- 1.43   0.075% *  0.0739% (0.15   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QE    LYS+ 106  20.37 +/- 1.57   0.001% *  0.4747% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  20.74 +/- 1.43   0.001% *  0.3660% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  17.47 +/- 0.62   0.001% *  0.0839% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.0, residual support = 131.3:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.02  99.929% * 96.5989% (0.99   3.00 131.31) = 100.000%  kept
          QD    LYS+ 102 - QE    LYS+ 106   8.73 +/- 1.42   0.051% *  0.1286% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 106  11.74 +/- 0.97   0.004% *  0.6483% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  11.46 +/- 1.69   0.005% *  0.4203% (0.65   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  11.87 +/- 0.82   0.003% *  0.3679% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  11.65 +/- 1.03   0.004% *  0.2913% (0.45   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  12.68 +/- 1.27   0.002% *  0.4966% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  14.67 +/- 0.68   0.001% *  0.5827% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  15.01 +/- 0.97   0.001% *  0.2216% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  16.57 +/- 1.31   0.000% *  0.2439% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 54.4:
    * O T HB    VAL  107 - HA    VAL  107   2.94 +/- 0.24  99.877% * 97.8083% (0.73   3.31  54.44) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  11.01 +/- 0.59   0.043% *  0.2510% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.46 +/- 0.39   0.032% *  0.2510% (0.31   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107  10.86 +/- 0.42   0.044% *  0.1101% (0.14   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  19.28 +/- 0.77   0.001% *  0.6215% (0.76   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.11 +/- 0.80   0.001% *  0.7972% (0.98   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  18.62 +/- 0.87   0.002% *  0.1609% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.17 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 = 54.4:
    * O T HA    VAL  107 - HB    VAL  107   2.94 +/- 0.24  98.788% * 98.5159% (0.73   3.31  54.44) =  99.998%  kept
          HA    ALA  110 - HB    VAL  107   6.25 +/- 0.17   1.189% *  0.1836% (0.22   0.02   0.02) =   0.002%
          HA    ALA   91 - HB    VAL  107  13.77 +/- 0.48   0.011% *  0.5740% (0.70   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  14.52 +/- 0.66   0.008% *  0.1177% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  18.59 +/- 0.84   0.002% *  0.4763% (0.58   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  17.64 +/- 0.80   0.002% *  0.1324% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 3.3, residual support = 60.5:
    * O T HB    VAL  108 - HA    VAL  108   3.00 +/- 0.05  99.770% * 96.7353% (1.00   3.30  60.48) =  99.999%  kept
          HB2   PRO   93 - HA    VAL  108   8.51 +/- 0.69   0.216% *  0.4697% (0.80   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    VAL  108  14.23 +/- 0.51   0.009% *  0.5415% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  17.49 +/- 0.53   0.003% *  0.5814% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  21.01 +/- 0.64   0.001% *  0.5415% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.02 +/- 0.25   0.001% *  0.5088% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.16 +/- 0.96   0.001% *  0.3794% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  24.48 +/- 0.54   0.000% *  0.1631% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  37.13 +/- 2.42   0.000% *  0.0794% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 60.5:
    * O T QG1   VAL  108 - HA    VAL  108   2.37 +/- 0.17  99.990% * 99.3017% (1.00   3.97  60.48) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  14.34 +/- 0.45   0.002% *  0.3238% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.23 +/- 0.25   0.004% *  0.1878% (0.38   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  14.17 +/- 0.69   0.002% *  0.0990% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  15.63 +/- 0.38   0.001% *  0.0876% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 60.5:
    * O T QG2   VAL  108 - HA    VAL  108   2.42 +/- 0.23  99.982% * 98.7625% (1.00   3.30  60.48) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108  12.00 +/- 0.41   0.008% *  0.4349% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.86 +/- 0.10   0.003% *  0.5779% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  12.21 +/- 0.58   0.007% *  0.2248% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 60.5:
    * O T HA    VAL  108 - HB    VAL  108   3.00 +/- 0.05  98.346% * 98.9038% (1.00   3.30  60.48) =  99.997%  kept
          HA1   GLY  109 - HB    VAL  108   5.96 +/- 0.18   1.646% *  0.1851% (0.31   0.02   7.35) =   0.003%
          HA    ALA   47 - HB    VAL  108  16.51 +/- 0.52   0.004% *  0.5878% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  16.51 +/- 0.46   0.004% *  0.2046% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  21.14 +/- 0.41   0.001% *  0.1187% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 3.44, residual support = 60.5:
    * O T QG1   VAL  108 - HB    VAL  108   2.12 +/- 0.01  99.998% * 99.1953% (1.00   3.44  60.48) = 100.000%  kept
          QD1   LEU   40 - HB    VAL  108  14.50 +/- 0.29   0.001% *  0.2165% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL  108  16.05 +/- 0.39   0.001% *  0.3731% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  16.38 +/- 0.72   0.000% *  0.1141% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  16.78 +/- 0.39   0.000% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 3.0, residual support = 60.5:
    * O T QG2   VAL  108 - HB    VAL  108   2.11 +/- 0.02  99.994% * 98.6410% (1.00   3.00  60.48) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  12.65 +/- 0.41   0.002% *  0.4775% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  12.51 +/- 0.86   0.003% *  0.2468% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  14.83 +/- 0.34   0.001% *  0.6346% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 1.0, support = 3.97, residual support = 60.5:
    * O T HA    VAL  108 - QG1   VAL  108   2.37 +/- 0.17  95.166% * 99.0872% (1.00   3.97  60.48) =  99.992%  kept
          HA1   GLY  109 - QG1   VAL  108   4.16 +/- 0.50   4.824% *  0.1541% (0.31   0.02   7.35) =   0.008%
          HA    ALA   47 - QG1   VAL  108  12.48 +/- 0.58   0.005% *  0.4895% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  12.71 +/- 0.50   0.005% *  0.1703% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  16.50 +/- 0.48   0.001% *  0.0988% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 3.44, residual support = 60.5:
    * O T HB    VAL  108 - QG1   VAL  108   2.12 +/- 0.01  99.969% * 96.8654% (1.00   3.44  60.48) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   8.41 +/- 0.60   0.029% *  0.4510% (0.80   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  13.62 +/- 0.45   0.001% *  0.5199% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  15.76 +/- 0.53   0.001% *  0.5582% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  19.38 +/- 0.94   0.000% *  0.5199% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.84 +/- 0.85   0.000% *  0.4885% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  20.26 +/- 1.18   0.000% *  0.3643% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  22.69 +/- 0.52   0.000% *  0.1566% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  33.07 +/- 2.12   0.000% *  0.0762% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 60.5:
    * O T QG2   VAL  108 - QG1   VAL  108   2.03 +/- 0.06  99.991% * 98.8128% (1.00   3.44  60.48) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  11.53 +/- 0.32   0.003% *  0.4172% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  11.11 +/- 0.83   0.004% *  0.2156% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  13.38 +/- 0.70   0.001% *  0.5544% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 1.0, support = 3.3, residual support = 60.5:
    * O T HA    VAL  108 - QG2   VAL  108   2.42 +/- 0.23  96.908% * 98.9038% (1.00   3.30  60.48) =  99.994%  kept
          HA1   GLY  109 - QG2   VAL  108   5.42 +/- 0.76   3.083% *  0.1851% (0.31   0.02   7.35) =   0.006%
          HA    ALA   47 - QG2   VAL  108  13.51 +/- 0.76   0.004% *  0.5878% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  13.98 +/- 0.75   0.004% *  0.2046% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  17.73 +/- 0.66   0.001% *  0.1187% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 3.0, residual support = 60.5:
    * O T HB    VAL  108 - QG2   VAL  108   2.11 +/- 0.02  99.980% * 96.4222% (1.00   3.00  60.48) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   9.26 +/- 0.77   0.016% *  0.5147% (0.80   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  12.98 +/- 0.52   0.002% *  0.5934% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  16.60 +/- 0.73   0.000% *  0.6371% (0.99   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  18.41 +/- 1.14   0.000% *  0.5576% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  18.84 +/- 1.04   0.000% *  0.5934% (0.92   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  19.87 +/- 1.21   0.000% *  0.4158% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  21.95 +/- 0.81   0.000% *  0.1787% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  32.51 +/- 2.20   0.000% *  0.0870% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 60.5:
    * O T QG1   VAL  108 - QG2   VAL  108   2.03 +/- 0.06  99.994% * 99.1953% (1.00   3.44  60.48) = 100.000%  kept
          QD1   LEU   40 - QG2   VAL  108  11.81 +/- 0.80   0.003% *  0.2165% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL  108  13.49 +/- 0.73   0.001% *  0.3731% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  13.44 +/- 0.71   0.001% *  0.1141% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  14.01 +/- 0.71   0.001% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 9.39:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.999% * 96.7677% (1.00   2.00   9.39) = 100.000%  kept
          HA    ALA   84 - HA1   GLY  109  13.88 +/- 1.08   0.000% *  0.9154% (0.95   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  14.11 +/- 0.28   0.000% *  0.8394% (0.87   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.85 +/- 0.46   0.000% *  0.7027% (0.73   0.02   0.02) =   0.000%
        T HB2   TRP   49 - HA1   GLY  109  15.40 +/- 0.52   0.000% *  0.7749% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 1.0, support = 2.0, residual support = 9.39:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.622% * 96.1496% (1.00   2.00   9.39) =  99.999%  kept
          HA    VAL  108 - HA2   GLY  109   4.44 +/- 0.04   0.376% *  0.2968% (0.31   0.02   7.35) =   0.001%
        T HA    CYS   50 - HA2   GLY  109  11.90 +/- 0.54   0.001% *  0.9594% (1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  12.83 +/- 0.38   0.001% *  0.3953% (0.41   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  16.64 +/- 0.57   0.000% *  0.9279% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  21.63 +/- 0.28   0.000% *  0.8031% (0.84   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  20.63 +/- 0.27   0.000% *  0.4680% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 9.59:
    * O T QB    ALA  110 - HA    ALA  110   2.12 +/- 0.01  99.991% * 90.3368% (1.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  10.96 +/- 0.16   0.005% *  1.2765% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  14.75 +/- 1.12   0.001% *  0.7275% (0.53   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  15.18 +/- 0.68   0.001% *  0.8387% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  15.43 +/- 0.27   0.001% *  0.6731% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  17.90 +/- 0.79   0.000% *  1.1072% (0.80   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  20.12 +/- 1.40   0.000% *  1.3797% (1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  15.98 +/- 0.36   0.001% *  0.3448% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  19.40 +/- 0.90   0.000% *  0.9498% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  17.90 +/- 0.36   0.000% *  0.5685% (0.41   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  20.97 +/- 0.34   0.000% *  1.3706% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.62 +/- 1.06   0.000% *  0.4268% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 9.59:
    * O T HA    ALA  110 - QB    ALA  110   2.12 +/- 0.01  99.715% * 92.4698% (1.00   1.31   9.59) =  99.997%  kept
          HA    PHE   55 - QB    ALA  110   6.20 +/- 0.33   0.171% *  1.2278% (0.87   0.02   0.45) =   0.002%
          HA    PHE   55 - QB    ALA   61   7.99 +/- 0.21   0.036% *  0.9086% (0.64   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA  110   8.45 +/- 0.06   0.025% *  0.4369% (0.31   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   8.02 +/- 0.15   0.034% *  0.2801% (0.20   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  10.97 +/- 0.63   0.006% *  1.3874% (0.98   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  10.96 +/- 0.16   0.005% *  1.0474% (0.74   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.28 +/- 0.29   0.004% *  0.2912% (0.21   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  12.90 +/- 0.28   0.002% *  0.3935% (0.28   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  14.33 +/- 0.29   0.001% *  0.3233% (0.23   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  17.83 +/- 0.45   0.000% *  1.0267% (0.73   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.33 +/- 1.34   0.001% *  0.2073% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 1.0, support = 7.98, residual support = 312.2:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.65 +/- 0.06  95.808% * 98.4167% (1.00   7.98 312.26) =  99.994%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.55 +/- 0.28   4.171% *  0.1396% (0.57   0.02   2.17) =   0.006%
          HB    ILE  119 - HA    LYS+ 111  10.95 +/- 0.43   0.020% *  0.0549% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  24.12 +/- 0.60   0.000% *  0.2444% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  25.31 +/- 0.82   0.000% *  0.2444% (0.99   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  22.86 +/- 0.35   0.000% *  0.1200% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  25.38 +/- 0.60   0.000% *  0.2139% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  25.04 +/- 0.46   0.000% *  0.1014% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  29.74 +/- 0.78   0.000% *  0.2212% (0.90   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  27.15 +/- 0.63   0.000% *  0.1200% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  26.01 +/- 0.44   0.000% *  0.0549% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.49 +/- 0.61   0.000% *  0.0686% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 312.3:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.54 +/- 0.07  98.818% * 98.0045% (1.00   7.31 312.26) =  99.999%  kept
          HB3   PRO   93 - HA    LYS+ 111   7.81 +/- 0.78   1.025% *  0.0828% (0.31   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+ 111  14.21 +/- 0.51   0.024% *  0.2240% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  14.03 +/- 0.85   0.027% *  0.1948% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  11.90 +/- 0.38   0.070% *  0.0414% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  16.55 +/- 0.67   0.010% *  0.1518% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  17.25 +/- 0.71   0.008% *  0.1202% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  17.03 +/- 0.81   0.009% *  0.0915% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  19.13 +/- 1.65   0.005% *  0.1202% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  22.59 +/- 1.04   0.002% *  0.2476% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.24 +/- 0.64   0.001% *  0.2405% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  25.98 +/- 0.61   0.001% *  0.2658% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  30.04 +/- 0.85   0.000% *  0.2148% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 1.0, support = 7.31, residual support = 312.3:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.28 +/- 0.11  99.227% * 99.1487% (1.00   7.31 312.26) =  99.999%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.68 +/- 1.34   0.772% *  0.1017% (0.38   0.02  25.73) =   0.001%
          HG12  ILE   89 - HA    LYS+ 111  18.68 +/- 1.16   0.000% *  0.2687% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HA    LYS+ 111  17.99 +/- 0.74   0.000% *  0.1017% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  24.25 +/- 0.40   0.000% *  0.1215% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.10 +/- 0.51   0.000% *  0.0925% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  25.26 +/- 0.80   0.000% *  0.1115% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.84 +/- 0.28   0.000% *  0.0537% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 312.3:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.00 +/- 0.23  99.564% * 97.9786% (1.00   6.21 312.26) =  99.999%  kept
          HG3   PRO   93 - HA    LYS+ 111   8.50 +/- 0.63   0.245% *  0.2739% (0.87   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+ 111  10.14 +/- 1.90   0.153% *  0.3095% (0.98   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 111  12.23 +/- 1.10   0.030% *  0.2293% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.21 +/- 0.19   0.003% *  0.2832% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  19.75 +/- 0.58   0.001% *  0.2832% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  20.63 +/- 0.67   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  21.43 +/- 1.01   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.67 +/- 0.42   0.001% *  0.0487% (0.15   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  23.00 +/- 1.37   0.001% *  0.0625% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  26.97 +/- 1.02   0.000% *  0.0975% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 312.3:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.12 +/- 0.05  99.638% * 98.6169% (1.00   6.21 312.26) =  99.999%  kept
          QB    ALA   57 - HA    LYS+ 111  11.29 +/- 0.23   0.238% *  0.3171% (1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+ 111  16.31 +/- 0.31   0.026% *  0.2654% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  13.74 +/- 0.45   0.074% *  0.0884% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  18.72 +/- 0.19   0.011% *  0.2850% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.67 +/- 0.42   0.008% *  0.0792% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  27.20 +/- 1.08   0.001% *  0.2850% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  23.00 +/- 1.37   0.004% *  0.0629% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 312.3:
    *   T QE    LYS+ 111 - HA    LYS+ 111   2.77 +/- 0.29  99.985% * 99.4651% (1.00   5.62 312.26) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  12.30 +/- 0.36   0.015% *  0.3346% (0.95   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  22.54 +/- 0.65   0.000% *  0.2003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 312.3:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.65 +/- 0.06  99.992% * 99.7556% (1.00   7.98 312.26) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  12.95 +/- 0.76   0.008% *  0.1617% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  27.15 +/- 0.63   0.000% *  0.0502% (0.20   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  26.32 +/- 0.84   0.000% *  0.0325% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 1.0, support = 7.31, residual support = 312.3:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.74 +/- 0.02  99.400% * 97.5624% (1.00   7.31 312.26) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   6.97 +/- 0.57   0.444% *  0.0532% (0.20   0.02  43.56) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111   8.97 +/- 0.74   0.093% *  0.0823% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  13.82 +/- 0.70   0.006% *  0.2228% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  14.25 +/- 0.96   0.005% *  0.1937% (0.73   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  15.16 +/- 0.77   0.004% *  0.1510% (0.57   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  12.72 +/- 0.39   0.010% *  0.0412% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  13.64 +/- 1.01   0.008% *  0.0389% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.86 +/- 0.87   0.005% *  0.0429% (0.16   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  17.78 +/- 1.70   0.002% *  0.1196% (0.45   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.97 +/- 1.12   0.007% *  0.0240% (0.09   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  18.28 +/- 0.94   0.001% *  0.1196% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  15.74 +/- 0.84   0.003% *  0.0481% (0.18   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  17.90 +/- 1.05   0.001% *  0.0910% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  16.32 +/- 0.76   0.002% *  0.0495% (0.19   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  17.03 +/- 1.10   0.002% *  0.0448% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  22.60 +/- 0.91   0.000% *  0.2393% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  23.20 +/- 1.30   0.000% *  0.2463% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  25.34 +/- 0.81   0.000% *  0.2644% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  14.72 +/- 0.63   0.004% *  0.0083% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  17.55 +/- 0.56   0.001% *  0.0183% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  28.57 +/- 1.05   0.000% *  0.2136% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.61 +/- 1.07   0.001% *  0.0166% (0.06   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  24.41 +/- 1.06   0.000% *  0.0304% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  26.78 +/- 0.86   0.000% *  0.0536% (0.20   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  23.83 +/- 0.62   0.000% *  0.0240% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 1.0, support = 7.29, residual support = 312.3:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.99 +/- 0.01  92.409% * 98.9213% (1.00   7.29 312.26) =  99.998%  kept
          HG13  ILE   19 - HG3   GLN   30   5.39 +/- 1.11   4.929% *  0.0108% (0.04   0.02  14.07) =   0.001%
          HD2   LYS+ 112 - HB2   LYS+ 111   8.37 +/- 1.14   0.367% *  0.1019% (0.38   0.02  25.73) =   0.000%
          HG    LEU   71 - HG3   GLN   30   6.47 +/- 1.22   1.505% *  0.0224% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   7.37 +/- 1.18   0.756% *  0.0245% (0.09   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  11.91 +/- 0.68   0.025% *  0.0205% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  19.54 +/- 1.35   0.001% *  0.2691% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  18.66 +/- 0.86   0.002% *  0.1019% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  16.40 +/- 1.04   0.004% *  0.0186% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  22.39 +/- 0.80   0.001% *  0.0926% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.55 +/- 0.58   0.000% *  0.1217% (0.45   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.65 +/- 0.95   0.000% *  0.1116% (0.41   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  23.66 +/- 1.23   0.000% *  0.0541% (0.20   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  24.69 +/- 0.43   0.000% *  0.0537% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.13 +/- 0.79   0.000% *  0.0546% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  28.10 +/- 1.22   0.000% *  0.0205% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 312.3:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.24 +/- 0.44  99.701% * 97.6700% (1.00   6.61 312.26) = 100.000%  kept
          HB2   LEU   73 - HG3   GLN   30   7.73 +/- 0.80   0.203% *  0.0532% (0.18   0.02   8.99) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  10.38 +/- 1.28   0.039% *  0.2144% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+ 111  10.24 +/- 0.69   0.027% *  0.2562% (0.87   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111  11.12 +/- 1.59   0.015% *  0.2895% (0.98   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  15.91 +/- 0.51   0.002% *  0.2649% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  19.50 +/- 0.85   0.001% *  0.2649% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  19.09 +/- 0.90   0.001% *  0.2029% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  15.30 +/- 0.97   0.006% *  0.0183% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  19.58 +/- 1.15   0.000% *  0.2029% (0.69   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.32 +/- 0.61   0.002% *  0.0408% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  19.70 +/- 0.87   0.001% *  0.0408% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.86 +/- 0.47   0.000% *  0.0456% (0.15   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  21.96 +/- 1.35   0.000% *  0.0582% (0.20   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  20.22 +/- 0.85   0.000% *  0.0431% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  25.51 +/- 1.06   0.000% *  0.0911% (0.31   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.55 +/- 1.58   0.000% *  0.0584% (0.20   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  22.25 +/- 1.01   0.000% *  0.0515% (0.17   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.63 +/- 1.34   0.001% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  19.48 +/- 0.86   0.001% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  26.34 +/- 0.98   0.000% *  0.0532% (0.18   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.83 +/- 0.69   0.000% *  0.0594% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 1.0, support = 6.61, residual support = 312.3:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.02 +/- 0.09  95.775% * 98.3853% (1.00   6.61 312.26) =  99.998%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.76 +/- 1.11   4.141% *  0.0536% (0.18   0.02   0.10) =   0.002%
          QB    ALA   57 - HB2   LYS+ 111  12.49 +/- 0.14   0.019% *  0.2968% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  11.84 +/- 0.65   0.028% *  0.0827% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  12.67 +/- 0.74   0.020% *  0.0499% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  16.93 +/- 0.41   0.003% *  0.2485% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  17.52 +/- 0.49   0.003% *  0.2668% (0.90   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.01 +/- 0.92   0.003% *  0.0597% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.86 +/- 0.47   0.001% *  0.0742% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.63 +/- 1.34   0.004% *  0.0149% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  26.62 +/- 1.16   0.000% *  0.2668% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  23.55 +/- 1.58   0.000% *  0.0589% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  19.48 +/- 0.86   0.001% *  0.0118% (0.04   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  26.84 +/- 1.06   0.000% *  0.0536% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  23.43 +/- 0.92   0.000% *  0.0166% (0.06   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  28.86 +/- 0.81   0.000% *  0.0598% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 312.3:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.50 +/- 0.53  97.793% * 99.3381% (1.00   6.05 312.26) =  99.999%  kept
          HB2   CYS   21 - HG3   GLN   30   7.20 +/- 0.79   2.139% *  0.0373% (0.11   0.02   0.02) =   0.001%
          HB2   PHE   45 - HB2   LYS+ 111  12.63 +/- 0.44   0.055% *  0.3104% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  16.51 +/- 0.67   0.011% *  0.0624% (0.19   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  22.79 +/- 0.60   0.002% *  0.1858% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  26.19 +/- 0.70   0.001% *  0.0660% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 312.3:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.54 +/- 0.07  99.961% * 99.8233% (1.00   7.31 312.26) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  13.27 +/- 0.72   0.039% *  0.1767% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 312.2:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.74 +/- 0.02  82.448% * 98.2745% (1.00   7.31 312.26) =  99.967%  kept
          QB    GLU- 114 - HG2   LYS+ 111   3.66 +/- 0.45  17.541% *  0.1521% (0.57   0.02   2.17) =   0.033%
          HB    ILE  119 - HG2   LYS+ 111  12.27 +/- 0.57   0.010% *  0.0598% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  25.19 +/- 0.57   0.000% *  0.2664% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  25.66 +/- 1.03   0.000% *  0.2664% (0.99   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  22.98 +/- 0.61   0.000% *  0.1308% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  26.21 +/- 0.63   0.000% *  0.2331% (0.87   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  28.86 +/- 1.19   0.000% *  0.2410% (0.90   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  26.78 +/- 0.86   0.000% *  0.1308% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  25.90 +/- 0.48   0.000% *  0.1105% (0.41   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  25.71 +/- 0.81   0.000% *  0.0747% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  25.55 +/- 0.78   0.000% *  0.0598% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 1.0, support = 6.98, residual support = 312.3:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.995% * 99.1085% (1.00   6.98 312.26) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111  10.04 +/- 1.35   0.005% *  0.1065% (0.38   0.02  25.73) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  17.54 +/- 1.34   0.000% *  0.2814% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  18.57 +/- 0.84   0.000% *  0.1065% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  22.76 +/- 0.71   0.000% *  0.0968% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  23.91 +/- 0.57   0.000% *  0.1273% (0.45   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.00 +/- 0.97   0.000% *  0.1167% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  25.01 +/- 0.49   0.000% *  0.0562% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 6.21, residual support = 312.3:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.89 +/- 0.09  99.683% * 97.9786% (1.00   6.21 312.26) =  99.999%  kept
          HB3   MET   92 - HG2   LYS+ 111   9.55 +/- 1.55   0.145% *  0.3095% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 111   9.77 +/- 0.76   0.075% *  0.2739% (0.87   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+ 111   9.77 +/- 1.20   0.090% *  0.2293% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.06 +/- 0.52   0.002% *  0.2832% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  19.25 +/- 0.95   0.001% *  0.2832% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  19.22 +/- 1.12   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  19.62 +/- 0.82   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.81 +/- 1.71   0.001% *  0.0625% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.23 +/- 0.43   0.001% *  0.0487% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  25.63 +/- 0.99   0.000% *  0.0975% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 312.3:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.28 +/- 0.02  99.994% * 98.6169% (1.00   6.21 312.26) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  13.23 +/- 0.16   0.003% *  0.3171% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  13.43 +/- 0.47   0.002% *  0.0884% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  16.86 +/- 0.49   0.001% *  0.2654% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  19.70 +/- 0.52   0.000% *  0.2850% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.23 +/- 0.43   0.000% *  0.0792% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  26.73 +/- 1.16   0.000% *  0.2850% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.81 +/- 1.71   0.000% *  0.0629% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 312.3:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   3.02 +/- 0.09  99.967% * 99.4651% (1.00   5.62 312.26) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  11.72 +/- 0.74   0.032% *  0.3346% (0.95   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  22.34 +/- 0.92   0.001% *  0.2003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 312.3:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.28 +/- 0.11  99.992% * 99.7755% (1.00   7.31 312.26) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  11.74 +/- 0.75   0.006% *  0.1765% (0.65   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  14.81 +/- 0.62   0.001% *  0.0189% (0.07   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  17.99 +/- 0.74   0.000% *  0.0292% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.28, residual support = 312.2:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.99 +/- 0.01  90.982% * 98.0582% (1.00   7.29 312.26) =  99.985%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.53 +/- 0.35   8.650% *  0.1524% (0.57   0.02   2.17) =   0.015%
        T HB    ILE   19 - HG2   LYS+  74   8.19 +/- 0.42   0.231% *  0.0140% (0.05   0.02   5.27) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.90 +/- 0.77   0.043% *  0.0285% (0.11   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  12.36 +/- 0.66   0.019% *  0.0599% (0.22   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  11.91 +/- 0.68   0.025% *  0.0140% (0.05   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.71 +/- 0.83   0.007% *  0.0285% (0.11   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  14.97 +/- 0.79   0.006% *  0.0258% (0.10   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.95 +/- 0.32   0.023% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  25.03 +/- 0.54   0.000% *  0.2668% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  17.28 +/- 1.04   0.003% *  0.0250% (0.09   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  25.90 +/- 0.89   0.000% *  0.2668% (0.99   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  23.16 +/- 0.51   0.000% *  0.1310% (0.49   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  17.14 +/- 1.31   0.003% *  0.0163% (0.06   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  18.66 +/- 0.86   0.002% *  0.0288% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  26.38 +/- 0.59   0.000% *  0.2335% (0.87   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  29.14 +/- 1.12   0.000% *  0.2414% (0.90   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  26.11 +/- 0.46   0.000% *  0.1107% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  27.13 +/- 0.79   0.000% *  0.1310% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.64 +/- 1.06   0.002% *  0.0118% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.99 +/- 0.64   0.000% *  0.0599% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  26.98 +/- 0.67   0.000% *  0.0748% (0.28   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  18.44 +/- 1.20   0.002% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  23.32 +/- 1.09   0.000% *  0.0080% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 312.3:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  96.990% * 97.6662% (1.00   6.98 312.26) =  99.999%  kept
          HB3   ASP-  44 - HG2   LYS+  74   5.49 +/- 1.58   2.957% *  0.0217% (0.08   0.02   5.98) =   0.001%
          HB3   PRO   93 - HG3   LYS+ 111   8.04 +/- 0.88   0.013% *  0.0863% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   6.86 +/- 0.48   0.030% *  0.0046% (0.02   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  14.41 +/- 0.90   0.000% *  0.2032% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  11.50 +/- 0.71   0.001% *  0.0432% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.22 +/- 0.46   0.000% *  0.2337% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  11.68 +/- 1.30   0.001% *  0.0250% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  12.10 +/- 0.87   0.001% *  0.0276% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  10.54 +/- 1.05   0.003% *  0.0092% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  16.20 +/- 0.77   0.000% *  0.1254% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  17.38 +/- 0.97   0.000% *  0.1584% (0.57   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  16.28 +/- 0.84   0.000% *  0.0954% (0.34   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.67 +/- 0.65   0.001% *  0.0102% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  14.09 +/- 0.47   0.000% *  0.0296% (0.11   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  18.53 +/- 1.69   0.000% *  0.1254% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  21.77 +/- 1.08   0.000% *  0.2583% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.99 +/- 1.36   0.000% *  0.0134% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.05 +/- 0.71   0.000% *  0.2509% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  25.44 +/- 0.85   0.000% *  0.2773% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  18.57 +/- 0.84   0.000% *  0.0299% (0.11   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  17.24 +/- 0.53   0.000% *  0.0134% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  19.92 +/- 0.94   0.000% *  0.0268% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  29.71 +/- 0.90   0.000% *  0.2240% (0.80   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.59 +/- 1.33   0.000% *  0.0239% (0.09   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  21.96 +/- 1.04   0.000% *  0.0169% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 1.0, support = 5.4, residual support = 312.3:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.80 +/- 0.15  99.157% * 97.4040% (1.00   5.40 312.26) =  99.998%  kept
          HB3   MET   92 - HG3   LYS+ 111   9.21 +/- 1.89   0.240% *  0.3537% (0.98   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG3   LYS+ 111   8.76 +/- 0.84   0.127% *  0.3130% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   7.24 +/- 0.59   0.385% *  0.0346% (0.10   0.02  45.79) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+ 111  11.20 +/- 1.13   0.030% *  0.2621% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  11.45 +/- 0.96   0.026% *  0.0335% (0.09   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.43 +/- 0.63   0.001% *  0.3237% (0.90   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  12.98 +/- 0.66   0.011% *  0.0378% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  19.61 +/- 0.80   0.001% *  0.3237% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  20.59 +/- 1.06   0.001% *  0.2479% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  20.59 +/- 0.72   0.001% *  0.2479% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.32 +/- 1.01   0.010% *  0.0060% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  17.40 +/- 0.69   0.002% *  0.0280% (0.08   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.00 +/- 0.75   0.001% *  0.0265% (0.07   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.89 +/- 1.60   0.000% *  0.0714% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.94 +/- 0.46   0.001% *  0.0557% (0.15   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  15.32 +/- 0.84   0.004% *  0.0076% (0.02   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.34 +/- 0.75   0.001% *  0.0386% (0.11   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  26.66 +/- 0.95   0.000% *  0.1114% (0.31   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  22.48 +/- 1.20   0.000% *  0.0346% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  21.82 +/- 0.78   0.000% *  0.0265% (0.07   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.57 +/- 1.60   0.001% *  0.0119% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.824, support = 5.43, residual support = 286.0:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.93 +/- 0.03  27.714% * 90.1241% (1.00   5.40 312.26) =  80.722%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.49 +/- 0.16  72.202% *  8.2615% (0.09   5.54 176.28) =  19.278%  kept
          QB    ALA   57 - HG2   LYS+  74   8.16 +/- 0.65   0.068% *  0.0356% (0.11   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.43 +/- 0.18   0.005% *  0.3332% (1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  16.61 +/- 0.44   0.001% *  0.2789% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.29 +/- 0.54   0.002% *  0.0928% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.01 +/- 0.64   0.000% *  0.2995% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.26 +/- 1.18   0.001% *  0.0320% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.32 +/- 1.01   0.003% *  0.0089% (0.03   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.94 +/- 0.46   0.000% *  0.0833% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.23 +/- 1.09   0.000% *  0.2995% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.89 +/- 1.60   0.000% *  0.0661% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  15.32 +/- 0.84   0.001% *  0.0071% (0.02   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.68 +/- 0.79   0.000% *  0.0357% (0.11   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  23.28 +/- 1.24   0.000% *  0.0320% (0.10   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.72 +/- 1.27   0.000% *  0.0099% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 312.3:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.06 +/- 0.21  99.741% * 99.3499% (1.00   5.44 312.26) = 100.000%  kept
          HB2   CYS   21 - HG2   LYS+  74   6.34 +/- 0.97   0.224% *  0.0221% (0.06   0.02   9.82) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  11.79 +/- 0.73   0.004% *  0.3454% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74   8.37 +/- 0.39   0.031% *  0.0369% (0.10   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  22.42 +/- 0.91   0.000% *  0.2067% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  18.13 +/- 0.69   0.000% *  0.0390% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 312.3:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.00 +/- 0.23  99.979% * 99.5337% (1.00   6.21 312.26) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  13.34 +/- 0.84   0.015% *  0.2075% (0.65   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.78 +/- 0.59   0.003% *  0.0318% (0.10   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  21.43 +/- 1.01   0.001% *  0.0839% (0.26   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.67 +/- 0.42   0.001% *  0.0491% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  27.85 +/- 1.15   0.000% *  0.0542% (0.17   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  26.97 +/- 1.02   0.000% *  0.0241% (0.08   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  31.03 +/- 1.53   0.000% *  0.0156% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 312.2:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.24 +/- 0.44  82.720% * 97.0492% (1.00   6.61 312.26) =  99.985%  kept
          QB    GLU- 114 - HD2   LYS+ 111   3.65 +/- 0.70   6.750% *  0.1661% (0.57   0.02   2.17) =   0.014%
          HB3   GLU- 100 - QD    LYS+  38   3.96 +/- 2.04   9.347% *  0.0061% (0.02   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   6.79 +/- 0.74   0.252% *  0.0390% (0.13   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  65   6.81 +/- 0.87   0.207% *  0.0446% (0.15   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.07 +/- 1.26   0.261% *  0.0213% (0.07   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.64 +/- 2.47   0.148% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   7.14 +/- 0.61   0.159% *  0.0185% (0.06   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.60 +/- 0.82   0.029% *  0.0446% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  17.08 +/- 2.35   0.042% *  0.0192% (0.07   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  11.81 +/- 0.77   0.005% *  0.0653% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  17.38 +/- 2.23   0.022% *  0.0091% (0.03   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  16.10 +/- 1.68   0.014% *  0.0108% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  20.05 +/- 2.37   0.006% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.02 +/- 0.79   0.006% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.52 +/- 1.12   0.017% *  0.0049% (0.02   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  15.61 +/- 1.05   0.001% *  0.0434% (0.15   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  15.30 +/- 0.97   0.004% *  0.0108% (0.04   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.34 +/- 0.51   0.004% *  0.0100% (0.03   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  19.58 +/- 1.15   0.000% *  0.0767% (0.26   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.40 +/- 1.46   0.000% *  0.0760% (0.26   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  17.56 +/- 0.78   0.001% *  0.0254% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  26.35 +/- 0.58   0.000% *  0.2908% (0.99   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.63 +/- 1.34   0.001% *  0.0219% (0.07   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.86 +/- 0.47   0.000% *  0.0450% (0.15   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  19.70 +/- 0.87   0.000% *  0.0373% (0.13   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.39 +/- 0.57   0.000% *  0.0373% (0.13   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  26.83 +/- 1.09   0.000% *  0.2908% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  22.96 +/- 1.24   0.000% *  0.0688% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.93 +/- 0.81   0.001% *  0.0100% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  27.01 +/- 0.83   0.000% *  0.2545% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  21.87 +/- 0.59   0.000% *  0.0665% (0.23   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  24.76 +/- 0.54   0.000% *  0.1428% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  17.91 +/- 0.81   0.001% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  23.98 +/- 0.60   0.000% *  0.0760% (0.26   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  31.32 +/- 0.92   0.000% *  0.2632% (0.90   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  19.59 +/- 0.94   0.000% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  26.53 +/- 0.81   0.000% *  0.1206% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  21.72 +/- 0.65   0.000% *  0.0315% (0.11   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.12 +/- 0.80   0.000% *  0.0198% (0.07   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  28.83 +/- 0.69   0.000% *  0.1428% (0.49   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  27.52 +/- 0.92   0.000% *  0.0816% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  24.27 +/- 0.75   0.000% *  0.0403% (0.14   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.11 +/- 1.04   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.58 +/- 0.62   0.000% *  0.0653% (0.22   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  25.51 +/- 1.06   0.000% *  0.0221% (0.08   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.74 +/- 0.54   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  22.56 +/- 1.22   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.871, support = 6.14, residual support = 298.8:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.89 +/- 0.09  25.802% * 91.4981% (1.00   6.21 312.26) =  86.258%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.42 +/- 0.14  73.648% *  5.1067% (0.06   5.75 214.56) =  13.741%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.14 +/- 0.65   0.357% *  0.0199% (0.07   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+ 102   8.83 +/- 0.64   0.038% *  0.0691% (0.23   0.02   0.43) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.73 +/- 1.11   0.052% *  0.0346% (0.12   0.02   0.90) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.64 +/- 0.21   0.037% *  0.0377% (0.13   0.02   1.22) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.27 +/- 0.77   0.014% *  0.0910% (0.31   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  11.51 +/- 1.75   0.009% *  0.0617% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  15.96 +/- 0.78   0.001% *  0.2463% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.14 +/- 0.98   0.001% *  0.2141% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.04 +/- 0.49   0.005% *  0.0328% (0.11   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.08 +/- 1.53   0.016% *  0.0099% (0.03   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.39 +/- 0.98   0.001% *  0.1669% (0.57   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  13.56 +/- 0.43   0.002% *  0.0455% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  15.19 +/- 1.11   0.001% *  0.0764% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.82 +/- 0.57   0.004% *  0.0220% (0.07   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  18.07 +/- 1.15   0.000% *  0.1322% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.35 +/- 0.63   0.002% *  0.0256% (0.09   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.35 +/- 1.16   0.000% *  0.1006% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  16.26 +/- 1.23   0.001% *  0.0436% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  19.61 +/- 1.69   0.000% *  0.1322% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.26 +/- 0.67   0.000% *  0.0644% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  19.22 +/- 1.12   0.000% *  0.0771% (0.26   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  18.53 +/- 0.83   0.000% *  0.0560% (0.19   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.18 +/- 1.31   0.000% *  0.2722% (0.92   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.58 +/- 0.98   0.000% *  0.2644% (0.90   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.45 +/- 0.55   0.000% *  0.0405% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.12 +/- 0.83   0.000% *  0.2923% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.48 +/- 0.64   0.001% *  0.0139% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.66 +/- 1.62   0.001% *  0.0185% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.43 +/- 0.82   0.000% *  0.0448% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.65 +/- 0.96   0.000% *  0.0203% (0.07   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  23.10 +/- 1.25   0.000% *  0.0712% (0.24   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.23 +/- 0.43   0.000% *  0.0452% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.79 +/- 1.81   0.000% *  0.0362% (0.12   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.98 +/- 0.47   0.001% *  0.0070% (0.02   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  18.02 +/- 1.02   0.000% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.45 +/- 1.54   0.000% *  0.0161% (0.05   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.96 +/- 0.74   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.73 +/- 0.80   0.000% *  0.0238% (0.08   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  21.12 +/- 0.72   0.000% *  0.0263% (0.09   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  30.52 +/- 1.05   0.000% *  0.2361% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  23.94 +/- 0.61   0.000% *  0.0417% (0.14   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  23.55 +/- 1.01   0.000% *  0.0346% (0.12   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  21.12 +/- 0.53   0.000% *  0.0154% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  24.82 +/- 1.01   0.000% *  0.0205% (0.07   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  25.63 +/- 0.99   0.000% *  0.0222% (0.08   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  25.27 +/- 0.49   0.000% *  0.0203% (0.07   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.34 +/- 0.96   0.000% *  0.0034% (0.01   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  23.64 +/- 0.82   0.000% *  0.0076% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.37 +/- 1.24   0.000% *  0.0068% (0.02   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  27.67 +/- 0.85   0.000% *  0.0099% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 1.0, support = 5.4, residual support = 312.3:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.80 +/- 0.15  96.913% * 98.1210% (1.00   5.40 312.26) =  99.999%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   8.94 +/- 1.31   0.203% *  0.1364% (0.38   0.02  25.73) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.92 +/- 2.33   1.758% *  0.0112% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   6.42 +/- 0.79   0.840% *  0.0093% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 102   8.41 +/- 0.88   0.171% *  0.0324% (0.09   0.02   0.43) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.44 +/- 1.64   0.048% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  19.75 +/- 1.62   0.001% *  0.3603% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.27 +/- 0.63   0.009% *  0.0250% (0.07   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.32 +/- 1.01   0.010% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.48 +/- 0.94   0.009% *  0.0229% (0.06   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.99 +/- 0.85   0.018% *  0.0110% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  16.14 +/- 0.50   0.003% *  0.0426% (0.12   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.34 +/- 0.75   0.001% *  0.1364% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  17.14 +/- 0.73   0.002% *  0.0391% (0.11   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  20.59 +/- 1.06   0.001% *  0.0950% (0.26   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.67 +/- 0.89   0.002% *  0.0209% (0.06   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.94 +/- 0.46   0.001% *  0.0557% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.34 +/- 0.84   0.000% *  0.1240% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.91 +/- 2.03   0.005% *  0.0054% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.66 +/- 0.59   0.000% *  0.1630% (0.45   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  24.15 +/- 1.08   0.000% *  0.0942% (0.26   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.77 +/- 0.84   0.001% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.76 +/- 0.98   0.000% *  0.1495% (0.41   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  21.82 +/- 0.78   0.000% *  0.0357% (0.10   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  20.29 +/- 0.82   0.001% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.74 +/- 0.40   0.000% *  0.0719% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  25.16 +/- 1.02   0.000% *  0.0357% (0.10   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  26.97 +/- 0.78   0.000% *  0.0552% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.57 +/- 1.60   0.000% *  0.0103% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  26.66 +/- 0.95   0.000% *  0.0274% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  28.61 +/- 1.01   0.000% *  0.0271% (0.07   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  29.02 +/- 1.56   0.000% *  0.0103% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 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 = 312.3:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.25 +/- 0.10  99.995% * 98.9094% (1.00   4.97 312.26) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  14.04 +/- 0.41   0.002% *  0.3762% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  18.03 +/- 0.76   0.000% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.57 +/- 0.43   0.000% *  0.0576% (0.14   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  19.66 +/- 1.08   0.000% *  0.1040% (0.26   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.60 +/- 0.93   0.001% *  0.0345% (0.09   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  24.49 +/- 0.59   0.000% *  0.2251% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.83 +/- 0.58   0.000% *  0.0609% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  20.58 +/- 0.89   0.000% *  0.0589% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  19.15 +/- 1.44   0.000% *  0.0169% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.27 +/- 1.05   0.000% *  0.0283% (0.07   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.31 +/- 1.18   0.000% *  0.0299% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 312.3:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.12 +/- 0.05  99.914% * 99.1911% (1.00   6.21 312.26) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  14.37 +/- 0.78   0.059% *  0.2068% (0.65   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.78 +/- 0.59   0.016% *  0.0512% (0.16   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.67 +/- 0.42   0.008% *  0.0791% (0.25   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  27.20 +/- 1.08   0.001% *  0.2864% (0.90   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  27.56 +/- 1.24   0.001% *  0.1853% (0.58   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 312.1:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.02 +/- 0.09  67.770% * 95.6869% (1.00   6.61 312.26) =  99.933%  kept
          QB    GLU- 114 - HD3   LYS+ 111   3.82 +/- 0.53  20.444% *  0.1638% (0.57   0.02   2.17) =   0.052%
          HB2   GLN   30 - QD    LYS+  33   5.03 +/- 0.99   6.159% *  0.0577% (0.20   0.02   0.10) =   0.005%
        T HG3   GLN   30 - QD    LYS+  33   5.76 +/- 1.11   2.540% *  0.1262% (0.44   0.02   0.10) =   0.005%
          QB    GLU-  15 - QD    LYS+  33   7.45 +/- 1.51   0.728% *  0.2570% (0.89   0.02   0.02) =   0.003%
          HB2   GLN   17 - QD    LYS+  65   6.81 +/- 0.87   0.905% *  0.0710% (0.25   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   6.79 +/- 0.74   0.608% *  0.0621% (0.21   0.02   0.02) =   0.001%
          HB    ILE   19 - QD    LYS+  33   8.31 +/- 1.35   0.232% *  0.1262% (0.44   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   7.14 +/- 0.61   0.427% *  0.0294% (0.10   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.60 +/- 0.82   0.080% *  0.0710% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  12.31 +/- 1.53   0.019% *  0.2570% (0.89   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  13.27 +/- 1.07   0.011% *  0.2249% (0.78   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  13.78 +/- 0.88   0.008% *  0.2325% (0.80   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  13.48 +/- 1.34   0.012% *  0.0721% (0.25   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  12.76 +/- 0.43   0.012% *  0.0644% (0.22   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.02 +/- 0.79   0.020% *  0.0349% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  14.83 +/- 1.01   0.005% *  0.1066% (0.37   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.34 +/- 0.51   0.009% *  0.0159% (0.06   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.63 +/- 1.34   0.003% *  0.0349% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  17.56 +/- 0.78   0.002% *  0.0406% (0.14   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.86 +/- 0.47   0.001% *  0.0716% (0.25   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.91 +/- 1.27   0.000% *  0.1468% (0.51   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.93 +/- 0.81   0.003% *  0.0159% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  27.00 +/- 0.61   0.000% *  0.2868% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  27.20 +/- 1.09   0.000% *  0.2868% (0.99   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  26.62 +/- 1.16   0.000% *  0.2593% (0.90   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  25.00 +/- 0.58   0.000% *  0.1408% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  27.65 +/- 0.73   0.000% *  0.2510% (0.87   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  23.44 +/- 1.11   0.000% *  0.0577% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  24.27 +/- 0.75   0.000% *  0.0642% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  27.20 +/- 0.59   0.000% *  0.1189% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  31.03 +/- 1.08   0.000% *  0.2595% (0.90   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  28.86 +/- 0.81   0.000% *  0.1408% (0.49   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  27.02 +/- 1.07   0.000% *  0.0804% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.58 +/- 0.77   0.000% *  0.0644% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.74 +/- 0.54   0.000% *  0.0199% (0.07   0.02   0.02) =   0.000%
    Distance limit 5.12 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 = 6.21, residual support = 312.3:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.28 +/- 0.02  99.867% * 94.7793% (1.00   6.21 312.26) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   8.45 +/- 0.39   0.041% *  0.2713% (0.89   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33   9.71 +/- 0.82   0.021% *  0.2192% (0.72   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.64 +/- 0.21   0.034% *  0.0632% (0.21   0.02   1.22) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  12.04 +/- 0.89   0.005% *  0.2455% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.68 +/- 0.77   0.010% *  0.0943% (0.31   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.32 +/- 1.28   0.003% *  0.1227% (0.40   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.04 +/- 0.49   0.005% *  0.0549% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  15.64 +/- 1.32   0.001% *  0.1987% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  16.63 +/- 0.60   0.001% *  0.2551% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  16.51 +/- 0.90   0.001% *  0.2218% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.84 +/- 1.08   0.001% *  0.2286% (0.75   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  16.86 +/- 0.83   0.001% *  0.1729% (0.57   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  13.53 +/- 0.45   0.002% *  0.0471% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.35 +/- 0.63   0.002% *  0.0428% (0.14   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  17.65 +/- 0.77   0.000% *  0.1369% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  19.67 +/- 0.86   0.000% *  0.2527% (0.83   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  19.15 +/- 1.75   0.000% *  0.1369% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.10 +/- 0.94   0.000% *  0.1042% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  17.09 +/- 0.92   0.001% *  0.0422% (0.14   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.45 +/- 0.55   0.000% *  0.0678% (0.22   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  21.30 +/- 1.06   0.000% *  0.1550% (0.51   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.85 +/- 1.24   0.000% *  0.2820% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  19.94 +/- 0.55   0.000% *  0.0934% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  24.31 +/- 1.00   0.000% *  0.2739% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.48 +/- 0.64   0.001% *  0.0233% (0.08   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.43 +/- 0.82   0.000% *  0.0749% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.79 +/- 1.81   0.000% *  0.0605% (0.20   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.65 +/- 0.96   0.000% *  0.0339% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  26.77 +/- 0.98   0.000% *  0.3027% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.23 +/- 0.43   0.000% *  0.0756% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  26.73 +/- 1.16   0.000% *  0.2737% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.17 +/- 1.17   0.000% *  0.0845% (0.28   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.98 +/- 0.47   0.001% *  0.0117% (0.04   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  25.31 +/- 0.59   0.000% *  0.1227% (0.40   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  23.94 +/- 0.61   0.000% *  0.0698% (0.23   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  30.17 +/- 1.22   0.000% *  0.2446% (0.80   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  21.12 +/- 0.53   0.000% *  0.0258% (0.08   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  25.27 +/- 0.49   0.000% *  0.0339% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 312.2:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.93 +/- 0.03  84.410% * 97.1648% (1.00   5.40 312.26) =  99.975%  kept
          HG    LEU   71 - QD    LYS+  33   5.19 +/- 1.54  12.755% *  0.1326% (0.37   0.02   0.02) =   0.021%
          HB3   LEU   71 - QD    LYS+  33   6.07 +/- 1.25   1.960% *  0.1446% (0.40   0.02   0.02) =   0.003%
          HG13  ILE   19 - QD    LYS+  33   7.16 +/- 1.44   0.727% *  0.0638% (0.18   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HD3   LYS+ 111  10.38 +/- 1.25   0.068% *  0.1351% (0.38   0.02  25.73) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  12.70 +/- 1.29   0.015% *  0.1100% (0.31   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  15.26 +/- 1.18   0.005% *  0.1211% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.27 +/- 0.63   0.011% *  0.0400% (0.11   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  19.21 +/- 1.40   0.001% *  0.3568% (0.99   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.48 +/- 0.94   0.010% *  0.0366% (0.10   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.32 +/- 1.01   0.011% *  0.0334% (0.09   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.99 +/- 0.85   0.021% *  0.0176% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  20.68 +/- 0.79   0.001% *  0.1351% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.67 +/- 0.89   0.003% *  0.0334% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  25.84 +/- 0.98   0.000% *  0.3198% (0.89   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.94 +/- 0.46   0.001% *  0.0891% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  27.23 +/- 1.09   0.000% *  0.3226% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.77 +/- 0.84   0.001% *  0.0304% (0.08   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.07 +/- 0.97   0.000% *  0.1228% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  25.76 +/- 0.63   0.000% *  0.1614% (0.45   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  26.88 +/- 0.99   0.000% *  0.1480% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  27.95 +/- 1.01   0.000% *  0.1211% (0.34   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  26.97 +/- 0.78   0.000% *  0.0883% (0.25   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.01 +/- 0.49   0.000% *  0.0712% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 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 = 312.3:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.53 +/- 0.10  99.982% * 98.2676% (1.00   4.97 312.26) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33  11.81 +/- 0.99   0.011% *  0.2004% (0.51   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  13.92 +/- 0.54   0.004% *  0.3737% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.76 +/- 1.02   0.001% *  0.3349% (0.85   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.57 +/- 0.43   0.001% *  0.0925% (0.23   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.60 +/- 0.93   0.001% *  0.0554% (0.14   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.83 +/- 0.58   0.000% *  0.0978% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  26.04 +/- 0.99   0.000% *  0.3540% (0.90   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  24.52 +/- 0.75   0.000% *  0.2237% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 312.3:
    *   T HA    LYS+ 111 - QE    LYS+ 111   2.77 +/- 0.29  99.967% * 99.7705% (1.00   5.62 312.26) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111  11.02 +/- 0.75   0.033% *  0.2295% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 312.2:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.50 +/- 0.53  85.310% * 97.9230% (1.00   6.05 312.26) =  99.968%  kept
          QB    GLU- 114 - QE    LYS+ 111   4.76 +/- 0.68  14.616% *  0.1831% (0.57   0.02   2.17) =   0.032%
          HB    ILE  119 - QE    LYS+ 111  11.75 +/- 0.82   0.067% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  24.01 +/- 0.68   0.001% *  0.3206% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.65 +/- 0.85   0.001% *  0.3206% (0.99   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  22.59 +/- 0.46   0.001% *  0.1575% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  25.04 +/- 0.79   0.001% *  0.2806% (0.87   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  27.93 +/- 0.92   0.000% *  0.2901% (0.90   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  24.69 +/- 0.67   0.001% *  0.1330% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  26.19 +/- 0.70   0.001% *  0.1575% (0.49   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  25.72 +/- 0.97   0.001% *  0.0899% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  25.17 +/- 0.61   0.001% *  0.0720% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 312.3:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   3.02 +/- 0.09  99.757% * 97.4221% (1.00   5.62 312.26) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111   8.90 +/- 0.77   0.175% *  0.1069% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.12 +/- 0.63   0.007% *  0.2894% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  14.76 +/- 0.72   0.008% *  0.2516% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  11.66 +/- 0.58   0.031% *  0.0535% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  15.87 +/- 0.97   0.006% *  0.1962% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  15.12 +/- 0.63   0.007% *  0.1553% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  15.70 +/- 0.68   0.005% *  0.1182% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  18.40 +/- 1.59   0.002% *  0.1553% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  21.13 +/- 0.97   0.001% *  0.3198% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.14 +/- 0.87   0.001% *  0.3107% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  24.69 +/- 0.75   0.000% *  0.3434% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  28.30 +/- 1.10   0.000% *  0.2774% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 312.3:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.06 +/- 0.21  99.924% * 98.8592% (1.00   5.44 312.26) = 100.000%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.81 +/- 1.19   0.075% *  0.1364% (0.38   0.02  25.73) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  16.75 +/- 1.19   0.000% *  0.3601% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QE    LYS+ 111  18.13 +/- 0.69   0.000% *  0.1364% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  22.96 +/- 0.89   0.000% *  0.1239% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  23.70 +/- 0.58   0.000% *  0.1629% (0.45   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.63 +/- 0.84   0.000% *  0.1494% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.38 +/- 0.46   0.000% *  0.0719% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 312.3:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.25 +/- 0.10  99.928% * 97.4907% (1.00   4.97 312.26) = 100.000%  kept
          HB3   MET   92 - QE    LYS+ 111   9.68 +/- 1.79   0.035% *  0.3842% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 111   9.19 +/- 0.77   0.025% *  0.3400% (0.87   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  11.21 +/- 1.22   0.010% *  0.2846% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.07 +/- 0.82   0.001% *  0.3515% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  19.50 +/- 0.70   0.000% *  0.3515% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  19.66 +/- 1.08   0.000% *  0.2692% (0.69   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.79 +/- 0.94   0.000% *  0.2692% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.83 +/- 0.58   0.000% *  0.0605% (0.15   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.10 +/- 1.36   0.000% *  0.0776% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  25.31 +/- 1.18   0.000% *  0.1210% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 312.3:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.53 +/- 0.10  99.985% * 98.2804% (1.00   4.97 312.26) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  12.08 +/- 0.24   0.009% *  0.3942% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  13.76 +/- 0.95   0.004% *  0.1099% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  16.67 +/- 0.36   0.001% *  0.3300% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  18.46 +/- 0.81   0.001% *  0.3544% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.83 +/- 0.58   0.000% *  0.0985% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  26.04 +/- 0.99   0.000% *  0.3544% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.10 +/- 1.36   0.000% *  0.0782% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 235.4:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.98 +/- 0.04  99.759% * 97.3317% (1.00   6.00 235.38) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   8.56 +/- 0.66   0.195% *  0.1579% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  15.04 +/- 0.42   0.006% *  0.3180% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  15.78 +/- 0.59   0.005% *  0.3069% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  12.99 +/- 0.87   0.016% *  0.0501% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  14.06 +/- 0.62   0.009% *  0.0809% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  17.71 +/- 0.84   0.002% *  0.3069% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  19.49 +/- 0.44   0.001% *  0.3180% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  18.87 +/- 0.64   0.002% *  0.1455% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.14 +/- 0.36   0.002% *  0.0902% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.22 +/- 1.50   0.002% *  0.1107% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.81 +/- 1.10   0.000% *  0.3216% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  28.84 +/- 1.19   0.000% *  0.2910% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.40 +/- 1.58   0.000% *  0.1707% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 6.08, residual support = 235.4:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   2.46 +/- 0.56  99.970% * 99.4886% (1.00   6.08 235.38) = 100.000%  kept
          QG1   VAL   42 - HA    LYS+ 112  11.38 +/- 0.49   0.023% *  0.2736% (0.84   0.02   0.02) =   0.000%
          QB    ALA   47 - HA    LYS+ 112  13.74 +/- 0.30   0.007% *  0.2378% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 235.4:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.20 +/- 0.49  99.745% * 99.3119% (1.00   5.76 235.38) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  10.43 +/- 0.93   0.117% *  0.2635% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112  10.28 +/- 0.54   0.130% *  0.1294% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.10 +/- 0.29   0.006% *  0.0860% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  21.14 +/- 0.39   0.002% *  0.2092% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.791, support = 6.18, residual support = 235.4:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.63 +/- 0.13  89.311% * 46.1790% (0.76   6.27 235.38) =  88.429%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.10 +/- 0.59  10.116% * 53.3434% (1.00   5.53 235.38) =  11.570%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.49 +/- 0.44   0.543% *  0.0724% (0.38   0.02  25.73) =   0.001%
          QG2   THR   94 - HA    LYS+ 112  10.13 +/- 0.38   0.029% *  0.1545% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.74 +/- 0.42   0.000% *  0.1912% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  21.63 +/- 0.90   0.000% *  0.0595% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 235.4:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.98 +/- 0.04  99.871% * 98.7855% (1.00   6.00 235.38) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42   9.78 +/- 0.43   0.084% *  0.2490% (0.76   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  11.66 +/- 0.41   0.029% *  0.1796% (0.55   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  14.03 +/- 0.71   0.010% *  0.2130% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  15.78 +/- 0.59   0.005% *  0.2776% (0.84   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  17.53 +/- 0.39   0.002% *  0.2953% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.793, support = 4.97, residual support = 132.3:
      O T QG1   VAL   42 - HB    VAL   42   2.11 +/- 0.01  84.028% * 30.3344% (0.70   4.20  87.70) =  69.805%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.80 +/- 0.14  15.969% * 69.0475% (1.00   6.74 235.38) =  30.195%  kept
        T QG1   VAL   42 - HB2   LYS+ 112  13.67 +/- 0.53   0.001% *  0.1711% (0.84   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  14.02 +/- 0.51   0.001% *  0.1488% (0.73   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  14.88 +/- 0.32   0.001% *  0.1254% (0.61   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  16.68 +/- 0.83   0.000% *  0.1727% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 235.4:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.44 +/- 0.28  99.764% * 98.4546% (1.00   5.76 235.38) = 100.000%  kept
          HG    LEU   63 - HB    VAL   42   8.08 +/- 0.84   0.128% *  0.2203% (0.64   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   8.47 +/- 0.47   0.075% *  0.0719% (0.21   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.20 +/- 0.85   0.014% *  0.1283% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  13.26 +/- 1.00   0.006% *  0.2613% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  12.80 +/- 0.40   0.006% *  0.1748% (0.51   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  12.95 +/- 0.94   0.006% *  0.1082% (0.32   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  17.61 +/- 0.94   0.001% *  0.2882% (0.84   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  22.65 +/- 0.50   0.000% *  0.2074% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.88 +/- 0.35   0.000% *  0.0852% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.764, support = 6.96, residual support = 235.4:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  96.538% * 97.4169% (0.76   6.96 235.38) =  99.987%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.36 +/- 0.45   3.386% *  0.3664% (1.00   0.02 235.38) =   0.013%
          HB3   LEU   71 - HB    VAL   42   7.15 +/- 0.63   0.024% *  0.3061% (0.84   0.02   2.46) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.48 +/- 0.41   0.046% *  0.1375% (0.38   0.02  25.73) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.29 +/- 0.38   0.004% *  0.2473% (0.68   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  11.61 +/- 0.46   0.001% *  0.2934% (0.80   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  18.22 +/- 0.79   0.000% *  0.3089% (0.84   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  18.15 +/- 0.74   0.000% *  0.2360% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  17.52 +/- 0.71   0.000% *  0.1159% (0.32   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  25.48 +/- 0.54   0.000% *  0.3631% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  21.94 +/- 1.16   0.000% *  0.1131% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  21.74 +/- 0.72   0.000% *  0.0953% (0.26   0.02   0.02) =   0.000%
    Reference assignment eliminated.
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 235.4:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   2.46 +/- 0.56  99.985% * 99.4944% (1.00   6.08 235.38) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  12.14 +/- 0.95   0.013% *  0.2119% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  16.10 +/- 0.97   0.002% *  0.2937% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 235.4:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.80 +/- 0.14  99.792% * 97.6176% (1.00   6.74 235.38) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112   8.38 +/- 0.98   0.183% *  0.1410% (0.49   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  16.68 +/- 0.83   0.003% *  0.2740% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.90 +/- 0.75   0.002% *  0.2839% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  17.69 +/- 1.25   0.002% *  0.2740% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  13.20 +/- 0.88   0.010% *  0.0447% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  15.48 +/- 0.84   0.004% *  0.0722% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  19.94 +/- 0.76   0.001% *  0.2839% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  18.49 +/- 0.83   0.001% *  0.1299% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  19.42 +/- 0.80   0.001% *  0.0805% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  20.60 +/- 1.38   0.001% *  0.0988% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  26.65 +/- 1.25   0.000% *  0.2871% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  29.57 +/- 1.40   0.000% *  0.2598% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  28.56 +/- 1.57   0.000% *  0.1524% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 235.4:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.997% * 99.4317% (1.00   6.98 235.38) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  11.39 +/- 1.27   0.002% *  0.2177% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.30 +/- 0.97   0.002% *  0.1069% (0.38   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  21.40 +/- 0.65   0.000% *  0.1728% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.85 +/- 0.73   0.000% *  0.0710% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 0.878, support = 6.65, residual support = 235.4:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.79 +/- 0.27  57.721% * 43.6953% (0.76   6.73 235.38) =  51.780%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.96 +/- 0.17  42.028% * 55.8837% (1.00   6.57 235.38) =  48.220%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.42 +/- 0.66   0.232% *  0.0638% (0.38   0.02  25.73) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  10.98 +/- 0.60   0.018% *  0.1361% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  23.51 +/- 0.94   0.000% *  0.1685% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  21.43 +/- 1.10   0.000% *  0.0525% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 235.4:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.20 +/- 0.49  99.963% * 99.4668% (1.00   5.76 235.38) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  12.51 +/- 1.18   0.032% *  0.2234% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  17.12 +/- 0.98   0.005% *  0.3097% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 235.4:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.44 +/- 0.28  99.906% * 97.2236% (1.00   5.76 235.38) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112   8.69 +/- 0.87   0.082% *  0.1643% (0.49   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  17.61 +/- 0.94   0.001% *  0.3193% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  17.65 +/- 0.72   0.001% *  0.3309% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  13.93 +/- 1.15   0.006% *  0.0521% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  18.52 +/- 1.36   0.001% *  0.3193% (0.95   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  16.19 +/- 0.75   0.002% *  0.0842% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  20.68 +/- 0.95   0.000% *  0.3309% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  18.53 +/- 0.74   0.001% *  0.1514% (0.45   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.46 +/- 1.71   0.000% *  0.1152% (0.34   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  20.18 +/- 0.74   0.000% *  0.0939% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  27.50 +/- 1.23   0.000% *  0.3346% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  30.46 +/- 1.35   0.000% *  0.3028% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  29.26 +/- 1.54   0.000% *  0.1776% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 235.4:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.999% * 99.5547% (1.00   6.98 235.38) = 100.000%  kept
          QG1   VAL   42 - HG3   LYS+ 112  12.93 +/- 0.81   0.001% *  0.2382% (0.84   0.02   0.02) =   0.000%
          QB    ALA   47 - HG3   LYS+ 112  12.89 +/- 0.72   0.001% *  0.2071% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.934, support = 5.9, residual support = 235.4:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.41 +/- 0.14  70.494% * 51.6931% (1.00   5.57 235.38) =  72.143%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.80 +/- 0.14  29.408% * 47.8474% (0.76   6.75 235.38) =  27.857%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.46 +/- 0.38   0.091% *  0.0697% (0.38   0.02  25.73) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  11.42 +/- 0.68   0.007% *  0.1486% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  24.42 +/- 1.14   0.000% *  0.1840% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  21.39 +/- 0.94   0.000% *  0.0573% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 235.4:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.10 +/- 0.59  99.868% * 99.4449% (1.00   5.53 235.38) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  13.36 +/- 1.10   0.109% *  0.2326% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  17.15 +/- 0.78   0.023% *  0.3225% (0.90   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 235.4:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.36 +/- 0.45  99.715% * 97.4259% (1.00   6.23 235.38) = 100.000%  kept
          HB3   PRO   93 - HD2   LYS+ 112   9.92 +/- 1.06   0.229% *  0.1523% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  18.32 +/- 1.35   0.006% *  0.2961% (0.95   0.02   0.02) =   0.000%
        T HB    VAL   42 - HD2   LYS+ 112  18.22 +/- 0.79   0.005% *  0.2961% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  18.70 +/- 1.01   0.004% *  0.3068% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  14.66 +/- 1.09   0.020% *  0.0483% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  16.01 +/- 0.92   0.012% *  0.0780% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  21.52 +/- 0.86   0.002% *  0.3068% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  19.52 +/- 0.98   0.003% *  0.1403% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  21.02 +/- 0.74   0.002% *  0.0870% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.37 +/- 1.78   0.002% *  0.1068% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  28.43 +/- 1.18   0.000% *  0.3102% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  31.06 +/- 1.00   0.000% *  0.2807% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  29.32 +/- 1.33   0.000% *  0.1647% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.57, residual support = 235.4:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.96 +/- 0.17  99.976% * 99.5272% (1.00   6.57 235.38) = 100.000%  kept
          QG1   VAL   42 - HD2   LYS+ 112  13.49 +/- 0.64   0.012% *  0.2529% (0.84   0.02   0.02) =   0.000%
          QB    ALA   47 - HD2   LYS+ 112  13.66 +/- 0.93   0.011% *  0.2199% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 235.4:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.41 +/- 0.14  99.987% * 99.2887% (1.00   5.57 235.38) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  12.56 +/- 0.88   0.005% *  0.2724% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  12.78 +/- 1.32   0.007% *  0.1338% (0.38   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  22.76 +/- 0.84   0.000% *  0.2162% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  20.51 +/- 0.75   0.000% *  0.0889% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 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 = 13.6:
    * O T QB    ASP- 113 - HA    ASP- 113   2.47 +/- 0.08 100.000% *100.0000% (1.00   2.00  13.57) = 100.000%  kept
    Distance limit 3.17 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 = 13.6:
    * O T HA    ASP- 113 - QB    ASP- 113   2.47 +/- 0.08  99.967% * 96.8416% (1.00   2.00  13.57) = 100.000%  kept
          HA    ILE   56 - QB    ASP- 113  10.07 +/- 0.27   0.022% *  0.6265% (0.65   0.02   0.02) =   0.000%
        T HA    PHE   59 - QB    ASP- 113  11.52 +/- 0.26   0.010% *  0.5483% (0.57   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  16.28 +/- 0.26   0.001% *  0.5095% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  21.62 +/- 0.80   0.000% *  0.8089% (0.84   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  26.04 +/- 0.89   0.000% *  0.6652% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.909, support = 3.21, residual support = 51.3:
    * O T QB    GLU- 114 - HA    GLU- 114   2.27 +/- 0.13  71.046% * 79.3470% (0.97   3.00  38.88) =  93.582%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.71 +/- 0.05  24.652% * 15.6323% (0.09   6.26 232.31) =   6.397%  kept
          HB2   LYS+ 111 - HA    GLU- 114   4.32 +/- 0.51   1.811% *  0.3980% (0.73   0.02   2.17) =   0.012%
        T QB    GLU- 114 - HA    LEU  115   4.39 +/- 0.40   1.905% *  0.2434% (0.44   0.02  17.69) =   0.008%
          HB2   LYS+ 111 - HA    LEU  115   5.85 +/- 0.41   0.253% *  0.1832% (0.33   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.58 +/- 0.02   0.326% *  0.1085% (0.20   0.02  17.69) =   0.001%
          HG3   PRO   58 - HA    LEU  115  11.46 +/- 0.31   0.004% *  0.0562% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.97 +/- 0.34   0.001% *  0.1220% (0.22   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.93 +/- 0.58   0.000% *  0.2329% (0.42   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.71 +/- 0.57   0.000% *  0.2188% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  19.88 +/- 0.64   0.000% *  0.2020% (0.37   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  22.86 +/- 0.63   0.000% *  0.4755% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.35 +/- 0.77   0.000% *  0.5060% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  20.38 +/- 1.15   0.000% *  0.2020% (0.37   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  24.33 +/- 1.31   0.000% *  0.4389% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  19.32 +/- 0.68   0.000% *  0.1037% (0.19   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  24.64 +/- 0.67   0.000% *  0.4389% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  23.67 +/- 0.72   0.000% *  0.2253% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  31.69 +/- 0.96   0.000% *  0.5185% (0.95   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  28.33 +/- 0.66   0.000% *  0.2386% (0.44   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  23.50 +/- 0.75   0.000% *  0.0341% (0.06   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  27.59 +/- 0.88   0.000% *  0.0742% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.834, support = 3.75, residual support = 32.4:
    * O T QG    GLU- 114 - HA    GLU- 114   3.16 +/- 0.19  56.237% * 62.4413% (1.00   3.51  38.88) =  69.506%  kept
        T QG    GLU- 114 - HA    LEU  115   3.93 +/- 1.37  43.744% * 35.2175% (0.46   4.30  17.69) =  30.493%  kept
          HG2   MET   92 - HA    GLU- 114  15.62 +/- 1.01   0.004% *  0.3563% (1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  14.50 +/- 0.99   0.006% *  0.1640% (0.46   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  16.29 +/- 0.73   0.003% *  0.2453% (0.69   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  14.90 +/- 0.65   0.005% *  0.1129% (0.32   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  21.52 +/- 0.66   0.001% *  0.1611% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  24.84 +/- 0.78   0.000% *  0.3500% (0.98   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.66 +/- 1.09   0.000% *  0.3563% (1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.39 +/- 0.91   0.000% *  0.1640% (0.46   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  32.98 +/- 0.84   0.000% *  0.1738% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  29.77 +/- 0.54   0.000% *  0.0800% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  34.35 +/- 2.00   0.000% *  0.1218% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  30.39 +/- 1.95   0.000% *  0.0561% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.965, support = 3.0, residual support = 38.9:
    * O T HA    GLU- 114 - QB    GLU- 114   2.27 +/- 0.13  97.201% * 97.1865% (0.97   3.00  38.88) =  99.987%  kept
        T HA    LEU  115 - QB    GLU- 114   4.39 +/- 0.40   2.791% *  0.4451% (0.66   0.02  17.69) =   0.013%
          HA    CYS   53 - QB    GLU- 114  11.95 +/- 0.73   0.006% *  0.1282% (0.19   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.03 +/- 0.98   0.000% *  0.6253% (0.93   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QB    GLU- 114  14.86 +/- 0.69   0.001% *  0.1135% (0.17   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  21.56 +/- 1.22   0.000% *  0.5412% (0.81   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.10 +/- 1.22   0.000% *  0.4191% (0.62   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.81 +/- 1.12   0.000% *  0.5412% (0.81   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 3.57, residual support = 38.9:
    * O T QG    GLU- 114 - QB    GLU- 114   2.08 +/- 0.06  99.995% * 97.5398% (0.96   3.57  38.88) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  12.02 +/- 0.92   0.003% *  0.5467% (0.96   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  13.20 +/- 0.81   0.002% *  0.3763% (0.66   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  20.47 +/- 1.06   0.000% *  0.5370% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.39 +/- 1.20   0.000% *  0.5467% (0.96   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  27.74 +/- 1.06   0.000% *  0.2667% (0.47   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  30.46 +/- 1.85   0.000% *  0.1869% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.874, support = 3.82, residual support = 30.5:
    * O T HA    GLU- 114 - QG    GLU- 114   3.16 +/- 0.19  56.231% * 53.6858% (1.00   3.51  38.88) =  60.432%  kept
        T HA    LEU  115 - QG    GLU- 114   3.93 +/- 1.37  43.734% * 45.1945% (0.69   4.30  17.69) =  39.568%  kept
          HA    CYS   53 - QG    GLU- 114  11.19 +/- 0.82   0.026% *  0.0606% (0.20   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  18.63 +/- 0.53   0.001% *  0.2956% (0.96   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  14.15 +/- 0.88   0.006% *  0.0536% (0.17   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  21.01 +/- 0.52   0.001% *  0.2559% (0.83   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.35 +/- 0.41   0.001% *  0.1982% (0.65   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.99 +/- 0.57   0.000% *  0.2559% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.922, support = 3.2, residual support = 32.5:
    * O T QB    GLU- 114 - QG    GLU- 114   2.08 +/- 0.06  57.101% * 74.6168% (0.96   3.57  38.88) =  82.686%  kept
          HB2   LYS+ 111 - QG    GLU- 114   2.29 +/- 0.40  38.632% * 23.0845% (0.72   1.47   2.17) =  17.307%  kept
          HB2   LEU  115 - QG    GLU- 114   4.01 +/- 1.24   4.266% *  0.0858% (0.20   0.02  17.69) =   0.007%
          HG3   PRO   58 - QG    GLU- 114  12.81 +/- 1.13   0.001% *  0.0965% (0.22   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  19.16 +/- 0.72   0.000% *  0.4000% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  20.34 +/- 1.14   0.000% *  0.3759% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  20.83 +/- 1.02   0.000% *  0.3470% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  20.93 +/- 0.82   0.000% *  0.3470% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  20.79 +/- 1.13   0.000% *  0.1781% (0.41   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  25.80 +/- 0.71   0.000% *  0.4099% (0.94   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  22.76 +/- 0.84   0.000% *  0.0586% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 0.713, support = 5.86, residual support = 208.3:
    * O T HB2   LEU  115 - HA    LEU  115   2.71 +/- 0.05  21.509% * 84.1928% (0.84   6.26 232.31) =  83.512%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.27 +/- 0.13  62.284% *  3.4057% (0.07   3.00  38.88) =   9.782%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.92 +/- 0.12  13.963% * 10.3998% (0.13   4.96 157.17) =   6.696%  kept
        T QB    GLU- 114 - HA    LEU  115   4.39 +/- 0.40   1.644% *  0.0830% (0.26   0.02  17.69) =   0.006%
          HG3   PRO   58 - HA    ARG+  54   5.63 +/- 0.36   0.300% *  0.1504% (0.47   0.02   0.02) =   0.002%
        T HB2   LEU  115 - HA    GLU- 114   5.58 +/- 0.02   0.284% *  0.0736% (0.23   0.02  17.69) =   0.001%
          HG3   PRO   58 - HA    LEU  115  11.46 +/- 0.31   0.004% *  0.2683% (0.83   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  11.97 +/- 0.30   0.003% *  0.1507% (0.47   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  13.35 +/- 0.54   0.002% *  0.2153% (0.67   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  12.63 +/- 0.63   0.002% *  0.0793% (0.25   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  15.91 +/- 0.92   0.001% *  0.1415% (0.44   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.97 +/- 0.34   0.001% *  0.0734% (0.23   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  15.40 +/- 0.35   0.001% *  0.0748% (0.23   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  14.86 +/- 0.69   0.001% *  0.0465% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  17.69 +/- 0.72   0.000% *  0.1207% (0.37   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.71 +/- 0.57   0.000% *  0.1205% (0.37   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.93 +/- 0.58   0.000% *  0.1009% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  17.61 +/- 0.64   0.000% *  0.0589% (0.18   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  17.62 +/- 0.45   0.000% *  0.0566% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  21.12 +/- 0.41   0.000% *  0.0676% (0.21   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  18.28 +/- 0.33   0.000% *  0.0205% (0.06   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.64 +/- 0.94   0.000% *  0.0387% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  22.86 +/- 0.63   0.000% *  0.0330% (0.10   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.35 +/- 0.77   0.000% *  0.0276% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.302, support = 6.38, residual support = 232.3:
      O T HB3   LEU  115 - HA    LEU  115   2.22 +/- 0.02  95.808% * 25.6844% (0.26   6.38 232.31) =  90.469%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.86 +/- 0.15   3.593% * 72.1332% (0.72   6.38 232.31) =   9.529%  kept
          QB    ALA  120 - HA    LEU  115   7.19 +/- 0.22   0.085% *  0.2263% (0.72   0.02   0.02) =   0.001%
        T HG    LEU  115 - HA    GLU- 114   6.42 +/- 0.66   0.196% *  0.0619% (0.20   0.02  17.69) =   0.000%
        T HB3   LEU  115 - HA    GLU- 114   6.48 +/- 0.04   0.154% *  0.0220% (0.07   0.02  17.69) =   0.000%
          QB    ALA  120 - HA    GLU- 114   7.80 +/- 0.17   0.051% *  0.0619% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.24 +/- 1.14   0.054% *  0.0581% (0.19   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.71 +/- 0.82   0.005% *  0.1269% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   9.01 +/- 1.55   0.035% *  0.0159% (0.05   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  12.60 +/- 0.81   0.003% *  0.1072% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  12.28 +/- 0.49   0.003% *  0.0887% (0.28   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  15.22 +/- 0.66   0.001% *  0.2585% (0.83   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.75 +/- 0.37   0.004% *  0.0451% (0.14   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  13.90 +/- 0.59   0.002% *  0.0805% (0.26   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  16.11 +/- 0.52   0.001% *  0.1582% (0.51   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  13.41 +/- 0.93   0.002% *  0.0407% (0.13   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  16.62 +/- 0.33   0.001% *  0.1269% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.47 +/- 0.60   0.001% *  0.0725% (0.23   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.63 +/- 0.98   0.000% *  0.0707% (0.23   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  18.50 +/- 1.14   0.000% *  0.0601% (0.19   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  16.58 +/- 0.83   0.001% *  0.0293% (0.09   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  21.97 +/- 0.72   0.000% *  0.1449% (0.46   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  18.58 +/- 0.53   0.000% *  0.0499% (0.16   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  21.24 +/- 0.48   0.000% *  0.0890% (0.28   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  17.06 +/- 0.94   0.000% *  0.0220% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  20.50 +/- 0.65   0.000% *  0.0433% (0.14   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  21.63 +/- 1.03   0.000% *  0.0451% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  21.20 +/- 0.72   0.000% *  0.0326% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  20.10 +/- 0.59   0.000% *  0.0198% (0.06   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  24.61 +/- 0.63   0.000% *  0.0243% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.835, support = 6.26, residual support = 232.3:
    *   T QD1   LEU  115 - HA    LEU  115   4.00 +/- 0.18  92.239% * 99.1861% (0.84   6.26 232.31) =  99.991%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.38 +/- 0.67   6.343% *  0.0867% (0.23   0.02  17.69) =   0.006%
        T QD1   LEU  115 - HA    ARG+  54   8.47 +/- 0.72   1.286% *  0.1776% (0.47   0.02   0.02) =   0.002%
          QG1   VAL   75 - HA    ARG+  54  13.24 +/- 0.63   0.079% *  0.1680% (0.44   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    LEU  115  15.09 +/- 1.18   0.040% *  0.2996% (0.79   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  17.80 +/- 1.14   0.013% *  0.0820% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.806, support = 7.51, residual support = 232.3:
    *   T QD2   LEU  115 - HA    LEU  115   2.94 +/- 0.15  91.619% * 97.6649% (0.81   7.51 232.31) =  99.983%  kept
          QD1   LEU   63 - HA    LEU  115   5.01 +/- 0.50   4.738% *  0.2549% (0.79   0.02   0.02) =   0.013%
          QD2   LEU   63 - HA    LEU  115   6.15 +/- 0.70   1.653% *  0.1011% (0.31   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HA    GLU- 114   6.00 +/- 0.27   1.616% *  0.0711% (0.22   0.02  17.69) =   0.001%
          QD1   LEU   63 - HA    GLU- 114   8.89 +/- 0.56   0.132% *  0.0697% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HA    ARG+  54   9.93 +/- 0.35   0.063% *  0.1458% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  10.78 +/- 0.37   0.040% *  0.1429% (0.44   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  12.05 +/- 0.41   0.020% *  0.2059% (0.64   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114   9.71 +/- 0.63   0.079% *  0.0277% (0.09   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  12.46 +/- 0.79   0.018% *  0.0567% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  16.15 +/- 0.37   0.003% *  0.2549% (0.79   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  13.91 +/- 0.73   0.008% *  0.0563% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  16.36 +/- 0.27   0.003% *  0.1429% (0.44   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  17.65 +/- 1.15   0.002% *  0.1429% (0.44   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  20.78 +/- 1.15   0.001% *  0.2549% (0.79   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.23 +/- 0.59   0.001% *  0.1154% (0.36   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  19.31 +/- 0.62   0.001% *  0.0697% (0.22   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  22.01 +/- 1.25   0.001% *  0.0832% (0.26   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  20.49 +/- 0.39   0.001% *  0.0466% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  23.21 +/- 1.20   0.000% *  0.0697% (0.22   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  23.66 +/- 1.51   0.000% *  0.0228% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.26, residual support = 232.3:
    * O T HA    LEU  115 - HB2   LEU  115   2.71 +/- 0.05  98.684% * 98.1757% (0.84   6.26 232.31) =  99.998%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.58 +/- 0.02   1.299% *  0.1280% (0.34   0.02  17.69) =   0.002%
        T HA    ARG+  54 - HB2   LEU  115  11.97 +/- 0.30   0.014% *  0.3465% (0.92   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  16.34 +/- 0.38   0.002% *  0.3135% (0.84   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  23.72 +/- 0.45   0.000% *  0.3256% (0.87   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.00 +/- 0.47   0.000% *  0.2578% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.30 +/- 0.72   0.000% *  0.1827% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  23.87 +/- 1.06   0.000% *  0.1543% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  28.63 +/- 0.47   0.000% *  0.1159% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.451, support = 6.15, residual support = 232.3:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  89.246% * 25.7229% (0.31   6.13 232.31) =  74.485%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.51 +/- 0.12  10.746% * 73.1816% (0.87   6.20 232.31) =  25.515%  kept
          QB    ALA  120 - HB2   LEU  115   8.82 +/- 0.23   0.006% *  0.2360% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.89 +/- 1.15   0.002% *  0.0606% (0.22   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  14.38 +/- 0.83   0.000% *  0.1119% (0.41   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  17.17 +/- 0.55   0.000% *  0.2697% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  15.88 +/- 0.45   0.000% *  0.1650% (0.61   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  15.94 +/- 0.55   0.000% *  0.0840% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.79 +/- 0.50   0.000% *  0.0756% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  21.37 +/- 0.43   0.000% *  0.0928% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 6.0, residual support = 232.3:
    * O T QD1   LEU  115 - HB2   LEU  115   2.24 +/- 0.05  99.999% * 99.6857% (1.00   6.00 232.31) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.71 +/- 1.07   0.001% *  0.3143% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 7.24, residual support = 232.3:
    * O T QD2   LEU  115 - HB2   LEU  115   3.17 +/- 0.16  97.017% * 98.7875% (0.97   7.24 232.31) =  99.993%  kept
          QD1   LEU   63 - HB2   LEU  115   6.08 +/- 0.48   2.193% *  0.2676% (0.95   0.02   0.02) =   0.006%
          QD2   LEU   63 - HB2   LEU  115   7.57 +/- 0.82   0.769% *  0.1062% (0.38   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   LEU  115  14.04 +/- 0.35   0.013% *  0.2162% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  16.60 +/- 0.28   0.005% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  20.24 +/- 1.13   0.002% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  21.48 +/- 1.15   0.001% *  0.0873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.724, support = 6.38, residual support = 232.3:
    * O T HA    LEU  115 - HG    LEU  115   3.86 +/- 0.15  93.620% * 97.5119% (0.72   6.38 232.31) =  99.991%  kept
        T HA    GLU- 114 - HG    LEU  115   6.42 +/- 0.66   4.948% *  0.1249% (0.30   0.02  17.69) =   0.007%
          HA    ALA   34 - HG    LEU   40   8.90 +/- 0.83   0.743% *  0.0854% (0.20   0.02   0.02) =   0.001%
        T HA    ARG+  54 - HG    LEU  115  11.71 +/- 0.82   0.156% *  0.3380% (0.80   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  10.05 +/- 0.77   0.331% *  0.0605% (0.14   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  15.54 +/- 0.53   0.022% *  0.3059% (0.72   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  13.90 +/- 0.59   0.047% *  0.1039% (0.25   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.99 +/- 1.19   0.032% *  0.1079% (0.26   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  15.00 +/- 1.05   0.031% *  0.1039% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  13.91 +/- 0.47   0.044% *  0.0384% (0.09   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  17.06 +/- 0.94   0.014% *  0.0424% (0.10   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  24.05 +/- 0.89   0.002% *  0.2515% (0.60   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  25.34 +/- 0.85   0.001% *  0.3176% (0.75   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  21.63 +/- 1.03   0.003% *  0.1148% (0.27   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.94 +/- 0.93   0.002% *  0.1782% (0.42   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  25.56 +/- 1.10   0.001% *  0.1505% (0.36   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.88 +/- 0.79   0.000% *  0.1130% (0.27   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  27.20 +/- 1.33   0.001% *  0.0511% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.867, support = 6.2, residual support = 232.3:
    * O T HB2   LEU  115 - HG    LEU  115   2.51 +/- 0.12  99.155% * 98.3060% (0.87   6.20 232.31) =  99.999%  kept
          QB    GLU- 114 - HG    LEU  115   6.08 +/- 0.30   0.498% *  0.0979% (0.27   0.02  17.69) =   0.001%
          HG3   PRO   58 - HG    LEU  115   8.65 +/- 0.68   0.069% *  0.3163% (0.87   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU   40   7.20 +/- 0.80   0.241% *  0.0862% (0.24   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.96 +/- 0.99   0.003% *  0.2539% (0.69   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.82 +/- 0.77   0.006% *  0.0881% (0.24   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  12.24 +/- 1.29   0.010% *  0.0404% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  12.78 +/- 0.59   0.006% *  0.0483% (0.13   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.54 +/- 1.30   0.005% *  0.0567% (0.16   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  16.23 +/- 0.88   0.002% *  0.1668% (0.46   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  15.94 +/- 0.55   0.002% *  0.1077% (0.29   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  14.82 +/- 1.12   0.003% *  0.0332% (0.09   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  19.56 +/- 0.80   0.001% *  0.1421% (0.39   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  20.25 +/- 1.04   0.000% *  0.1190% (0.33   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  20.21 +/- 0.79   0.000% *  0.1074% (0.29   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  24.18 +/- 0.96   0.000% *  0.0299% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 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 = 6.12, residual support = 232.3:
    * O T QD1   LEU  115 - HG    LEU  115   2.10 +/- 0.01  99.997% * 99.4777% (0.87   6.12 232.31) = 100.000%  kept
          QG1   VAL   75 - HG    LEU  115  16.11 +/- 1.16   0.001% *  0.3075% (0.82   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  14.25 +/- 1.69   0.002% *  0.1044% (0.28   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HG    LEU   40  14.23 +/- 0.44   0.001% *  0.1104% (0.29   0.02   0.02) =   0.000%
    Distance limit 5.05 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 = 7.32, residual support = 232.2:
    * O T QD2   LEU  115 - HG    LEU  115   2.09 +/- 0.00  69.588% * 98.3121% (0.84   7.33 232.31) =  99.968%  kept
          QD1   LEU  104 - HG    LEU   40   3.01 +/- 1.17  30.142% *  0.0722% (0.23   0.02   0.02) =   0.032%
          QD1   LEU   63 - HG    LEU  115   6.33 +/- 0.71   0.142% *  0.2631% (0.82   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU  115   7.44 +/- 0.93   0.054% *  0.1044% (0.33   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   8.09 +/- 0.62   0.025% *  0.0894% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.76 +/- 1.11   0.039% *  0.0355% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40  10.33 +/- 1.16   0.008% *  0.0894% (0.28   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  12.91 +/- 0.65   0.001% *  0.0912% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  14.84 +/- 0.58   0.001% *  0.2125% (0.66   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  17.76 +/- 0.73   0.000% *  0.2631% (0.82   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  21.68 +/- 1.14   0.000% *  0.2631% (0.82   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  19.42 +/- 1.19   0.000% *  0.0894% (0.28   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  23.17 +/- 1.22   0.000% *  0.0858% (0.27   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  21.48 +/- 1.53   0.000% *  0.0292% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.835, support = 6.26, residual support = 232.3:
    *   T HA    LEU  115 - QD1   LEU  115   4.00 +/- 0.18  92.287% * 98.1757% (0.84   6.26 232.31) =  99.986%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.38 +/- 0.67   6.345% *  0.1280% (0.34   0.02  17.69) =   0.009%
        T HA    ARG+  54 - QD1   LEU  115   8.47 +/- 0.72   1.287% *  0.3465% (0.92   0.02   0.02) =   0.005%
          HA    ALA  124 - QD1   LEU  115  13.89 +/- 0.51   0.054% *  0.3135% (0.84   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.59 +/- 0.53   0.005% *  0.3256% (0.87   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  19.88 +/- 0.50   0.007% *  0.2578% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  20.07 +/- 0.72   0.006% *  0.1827% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  20.27 +/- 1.12   0.006% *  0.1543% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  24.82 +/- 0.48   0.002% *  0.1159% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.15 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 = 1.0, support = 6.0, residual support = 232.3:
    * O T HB2   LEU  115 - QD1   LEU  115   2.24 +/- 0.05  99.098% * 98.7703% (1.00   6.00 232.31) =  99.998%  kept
          HG3   PRO   58 - QD1   LEU  115   6.16 +/- 0.70   0.283% *  0.3285% (1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   LEU  115   5.68 +/- 0.70   0.592% *  0.1016% (0.31   0.02  17.69) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115   9.41 +/- 0.62   0.020% *  0.0915% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  12.40 +/- 0.56   0.004% *  0.2636% (0.80   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  12.75 +/- 1.03   0.003% *  0.1732% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  16.25 +/- 0.57   0.001% *  0.1476% (0.45   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  16.23 +/- 0.72   0.001% *  0.1236% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.808, support = 6.12, residual support = 232.3:
    * O T HG    LEU  115 - QD1   LEU  115   2.10 +/- 0.01  74.793% * 72.9243% (0.87   6.12 232.31) =  89.304%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.58 +/- 0.31  25.154% * 25.9696% (0.31   6.13 232.31) =  10.696%  kept
          QB    ALA  120 - QD1   LEU  115   7.59 +/- 0.55   0.040% *  0.2383% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115  10.45 +/- 0.92   0.006% *  0.0612% (0.22   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  12.08 +/- 0.76   0.002% *  0.1129% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  13.03 +/- 0.91   0.001% *  0.1666% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  12.05 +/- 0.85   0.002% *  0.0764% (0.28   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  15.07 +/- 0.50   0.001% *  0.2723% (0.99   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  14.23 +/- 0.44   0.001% *  0.0848% (0.31   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  17.96 +/- 0.74   0.000% *  0.0937% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 7.24, residual support = 232.3:
    * O T QD2   LEU  115 - QD1   LEU  115   1.97 +/- 0.06  99.379% * 98.7875% (0.97   7.24 232.31) =  99.999%  kept
          QD1   LEU   63 - QD1   LEU  115   5.20 +/- 0.65   0.456% *  0.2676% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   63 - QD1   LEU  115   6.39 +/- 0.78   0.162% *  0.1062% (0.38   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.73 +/- 0.37   0.001% *  0.2162% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  14.30 +/- 0.52   0.001% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  17.29 +/- 1.20   0.000% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  18.63 +/- 0.91   0.000% *  0.0873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.806, support = 7.51, residual support = 232.3:
    *   T HA    LEU  115 - QD2   LEU  115   2.94 +/- 0.15  98.148% * 98.4745% (0.81   7.51 232.31) =  99.998%  kept
        T HA    GLU- 114 - QD2   LEU  115   6.00 +/- 0.27   1.751% *  0.1071% (0.33   0.02  17.69) =   0.002%
        T HA    ARG+  54 - QD2   LEU  115   9.93 +/- 0.35   0.068% *  0.2897% (0.89   0.02   0.02) =   0.000%
          HA    ALA  124 - QD2   LEU  115  11.53 +/- 0.41   0.029% *  0.2622% (0.81   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  18.99 +/- 0.56   0.001% *  0.2156% (0.66   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  20.67 +/- 0.49   0.001% *  0.2723% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.31 +/- 0.77   0.001% *  0.1528% (0.47   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  21.95 +/- 0.84   0.001% *  0.1290% (0.40   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.93 +/- 0.56   0.000% *  0.0969% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 232.3:
    * O T HB2   LEU  115 - QD2   LEU  115   3.17 +/- 0.16  96.262% * 98.9784% (0.97   7.24 232.31) =  99.994%  kept
          HG3   PRO   58 - QD2   LEU  115   6.82 +/- 0.33   1.067% *  0.2729% (0.96   0.02   0.02) =   0.003%
          QB    GLU- 114 - QD2   LEU  115   5.88 +/- 0.38   2.513% *  0.0844% (0.30   0.02  17.69) =   0.002%
          HB2   LEU   67 - QD2   LEU  115  10.99 +/- 0.48   0.060% *  0.2190% (0.77   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  12.53 +/- 0.78   0.028% *  0.1439% (0.51   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  11.17 +/- 0.30   0.053% *  0.0761% (0.27   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  14.64 +/- 0.49   0.011% *  0.1226% (0.43   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  15.99 +/- 0.42   0.006% *  0.1027% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.764, support = 7.33, residual support = 232.3:
    * O T HG    LEU  115 - QD2   LEU  115   2.09 +/- 0.00  69.192% * 73.0671% (0.84   7.33 232.31) =  86.400%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.41 +/- 0.18  30.598% * 26.0069% (0.30   7.33 232.31) =  13.600%  kept
          QB    ALA  120 - QD2   LEU  115   5.67 +/- 0.32   0.181% *  0.1995% (0.84   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  115   8.57 +/- 0.79   0.017% *  0.0512% (0.21   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  10.38 +/- 0.97   0.005% *  0.0945% (0.40   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  13.72 +/- 0.64   0.001% *  0.2279% (0.96   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.24 +/- 0.57   0.003% *  0.0639% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  13.40 +/- 0.53   0.001% *  0.1395% (0.59   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  12.91 +/- 0.65   0.001% *  0.0710% (0.30   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  18.18 +/- 0.47   0.000% *  0.0784% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 232.3:
    * O T QD1   LEU  115 - QD2   LEU  115   1.97 +/- 0.06  99.999% * 99.7393% (0.97   7.24 232.31) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  13.49 +/- 1.05   0.001% *  0.2607% (0.91   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 5.31, residual support = 118.4:
    * O T HB2   GLN  116 - HA    GLN  116   2.93 +/- 0.01  99.950% * 98.8255% (1.00   5.31 118.40) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116  10.84 +/- 0.45   0.041% *  0.2106% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  14.19 +/- 0.34   0.008% *  0.3590% (0.97   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  23.89 +/- 1.08   0.000% *  0.3646% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  24.34 +/- 0.56   0.000% *  0.1668% (0.45   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  27.34 +/- 0.54   0.000% *  0.0736% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 118.4:
    * O T HG2   GLN  116 - HA    GLN  116   2.09 +/- 0.06  99.993% * 99.4894% (1.00   4.95 118.40) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116  10.30 +/- 0.38   0.007% *  0.3987% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  32.59 +/- 0.52   0.000% *  0.1119% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 118.4:
    * O T HA    GLN  116 - HB2   GLN  116   2.93 +/- 0.01  99.997% * 98.2178% (1.00   5.31 118.40) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  21.64 +/- 0.38   0.001% *  0.3697% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  20.75 +/- 0.43   0.001% *  0.2539% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  23.09 +/- 0.83   0.000% *  0.0922% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  22.55 +/- 0.59   0.000% *  0.0732% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  30.82 +/- 0.48   0.000% *  0.3207% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  29.06 +/- 0.83   0.000% *  0.1799% (0.49   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  32.27 +/- 0.43   0.000% *  0.2684% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  33.56 +/- 0.92   0.000% *  0.2242% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.4, residual support = 118.4:
    * O T HG2   GLN  116 - HB2   GLN  116   2.78 +/- 0.09  99.980% * 99.5317% (1.00   5.40 118.40) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  11.61 +/- 0.51   0.020% *  0.3657% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  33.85 +/- 0.53   0.000% *  0.1026% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 1 structures by 0.01 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 118.4:
    * O T HA    GLN  116 - HG2   GLN  116   2.09 +/- 0.06 100.000% * 98.0879% (1.00   4.95 118.40) = 100.000%  kept
          HA    VAL   18 - HG2   GLN  116  19.39 +/- 0.43   0.000% *  0.2724% (0.69   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLN  116  20.78 +/- 0.30   0.000% *  0.3966% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  20.91 +/- 0.58   0.000% *  0.0785% (0.20   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  22.25 +/- 0.95   0.000% *  0.0989% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  30.30 +/- 0.43   0.000% *  0.3440% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  28.46 +/- 0.83   0.000% *  0.1931% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  31.86 +/- 0.39   0.000% *  0.2880% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  33.77 +/- 0.74   0.000% *  0.2406% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 5.4, residual support = 118.4:
    * O T HB2   GLN  116 - HG2   GLN  116   2.78 +/- 0.09  99.952% * 98.8430% (1.00   5.40 118.40) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116  10.23 +/- 0.58   0.045% *  0.2074% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  16.09 +/- 0.34   0.003% *  0.3536% (0.97   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  25.89 +/- 1.07   0.000% *  0.3591% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  24.87 +/- 0.52   0.000% *  0.1643% (0.45   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  28.78 +/- 0.53   0.000% *  0.0725% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 1 structures by 0.01 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 = 1.0, support = 1.67, residual support = 15.0:
    * O T QB    SER  117 - HA    SER  117   2.39 +/- 0.08  99.302% * 94.9073% (1.00   1.67  15.02) =  99.995%  kept
          HA    LYS+ 121 - HA    SER  117   6.44 +/- 0.41   0.283% *  0.9517% (0.84   0.02   0.02) =   0.003%
          HA    ALA  120 - HA    SER  117   5.99 +/- 0.09   0.410% *  0.4684% (0.41   0.02   5.88) =   0.002%
          HA    PHE   60 - HA    SER  117  13.08 +/- 0.21   0.004% *  0.6911% (0.61   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  17.08 +/- 0.38   0.001% *  0.8708% (0.76   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  23.29 +/- 0.51   0.000% *  1.0219% (0.90   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  24.98 +/- 0.54   0.000% *  0.7371% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  22.81 +/- 0.67   0.000% *  0.1758% (0.15   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  30.61 +/- 0.83   0.000% *  0.1758% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 1.67, residual support = 15.0:
    * O T HA    SER  117 - QB    SER  117   2.39 +/- 0.08  99.954% * 96.4154% (1.00   1.67  15.02) = 100.000%  kept
          HA    ASP-  62 - QB    SER  117  14.52 +/- 0.29   0.002% *  0.6553% (0.57   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   9.51 +/- 0.47   0.027% *  0.0464% (0.04   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.63 +/- 0.83   0.009% *  0.1130% (0.10   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.81 +/- 0.34   0.002% *  0.4344% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  13.53 +/- 0.53   0.003% *  0.2411% (0.21   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  17.35 +/- 0.43   0.001% *  0.1430% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  18.82 +/- 0.84   0.000% *  0.1704% (0.15   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.94 +/- 0.58   0.000% *  0.1786% (0.15   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  27.42 +/- 0.53   0.000% *  0.9269% (0.80   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  16.93 +/- 1.16   0.001% *  0.0276% (0.02   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  24.98 +/- 0.54   0.000% *  0.3010% (0.26   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  21.12 +/- 0.53   0.000% *  0.0670% (0.06   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  30.61 +/- 0.83   0.000% *  0.1786% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  28.52 +/- 0.48   0.000% *  0.1011% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 6.47, residual support = 249.6:
    * O T HB    ILE  119 - HA    ILE  119   2.95 +/- 0.03  99.934% * 97.6893% (0.87   6.47 249.59) = 100.000%  kept
          HB2   LYS+ 111 - HA    ILE  119  11.23 +/- 0.56   0.034% *  0.1694% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE  119  14.86 +/- 0.59   0.006% *  0.2786% (0.80   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  14.64 +/- 0.51   0.007% *  0.2251% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  14.27 +/- 0.48   0.008% *  0.0967% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  16.66 +/- 0.36   0.003% *  0.1970% (0.57   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  17.19 +/- 1.03   0.003% *  0.1431% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  17.24 +/- 0.62   0.003% *  0.1431% (0.41   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  20.53 +/- 0.57   0.001% *  0.3212% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  20.59 +/- 0.54   0.001% *  0.3018% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  22.29 +/- 0.84   0.001% *  0.3480% (1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  28.97 +/- 0.66   0.000% *  0.0868% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 6.79, residual support = 249.6:
    * O T QG2   ILE  119 - HA    ILE  119   2.72 +/- 0.09  99.003% * 99.1709% (1.00   6.79 249.59) =  99.999%  kept
          QD1   LEU   67 - HA    ILE  119   6.05 +/- 0.33   0.912% *  0.0578% (0.20   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    ILE  119   9.61 +/- 0.37   0.053% *  0.0511% (0.18   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  13.97 +/- 1.01   0.007% *  0.2762% (0.95   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  11.31 +/- 0.25   0.020% *  0.0812% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  14.61 +/- 0.49   0.004% *  0.2533% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.96 +/- 0.83   0.002% *  0.1096% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.34, residual support = 249.6:
    * O T HG12  ILE  119 - HA    ILE  119   2.67 +/- 0.05  99.837% * 98.2761% (1.00   6.34 249.59) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   8.02 +/- 0.30   0.142% *  0.0956% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  12.79 +/- 0.59   0.009% *  0.2368% (0.76   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  12.66 +/- 0.76   0.010% *  0.2004% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  17.25 +/- 1.06   0.001% *  0.1630% (0.53   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  19.69 +/- 1.44   0.001% *  0.2128% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  21.27 +/- 0.82   0.000% *  0.2128% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  23.02 +/- 1.07   0.000% *  0.2588% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.49 +/- 0.52   0.000% *  0.2481% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  22.19 +/- 0.85   0.000% *  0.0478% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  27.02 +/- 2.04   0.000% *  0.0478% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 1.0, support = 5.87, residual support = 249.6:
    * O T HG13  ILE  119 - HA    ILE  119   2.32 +/- 0.07  99.568% * 98.9086% (1.00   5.87 249.59) = 100.000%  kept
          QG1   VAL  107 - HA    ILE  119   6.43 +/- 0.42   0.237% *  0.0520% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ILE  119   7.37 +/- 0.12   0.101% *  0.1040% (0.31   0.02   0.86) =   0.000%
          QG2   VAL  107 - HA    ILE  119   7.70 +/- 0.48   0.081% *  0.0520% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  10.93 +/- 1.31   0.012% *  0.1773% (0.53   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  17.03 +/- 0.57   0.001% *  0.2314% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  21.79 +/- 0.51   0.000% *  0.3362% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  20.51 +/- 1.42   0.000% *  0.1385% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.87, residual support = 249.6:
    *   T QD1   ILE  119 - HA    ILE  119   3.71 +/- 0.03  99.771% * 99.3483% (0.97   5.87 249.59) =  99.999%  kept
          HB2   LEU  104 - HA    ILE  119  10.91 +/- 0.35   0.159% *  0.2547% (0.73   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  12.75 +/- 0.64   0.064% *  0.1985% (0.57   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  18.60 +/- 0.59   0.006% *  0.1985% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.47, residual support = 249.6:
    * O T HA    ILE  119 - HB    ILE  119   2.95 +/- 0.03  97.759% * 98.8533% (0.87   6.47 249.59) =  99.993%  kept
        T HA    THR  118 - HB    ILE  119   5.54 +/- 0.03   2.233% *  0.2948% (0.84   0.02  34.17) =   0.007%
          HA2   GLY  109 - HB    ILE  119  14.64 +/- 0.55   0.007% *  0.2218% (0.63   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  25.09 +/- 0.74   0.000% *  0.3027% (0.86   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  27.27 +/- 0.78   0.000% *  0.2739% (0.78   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  21.42 +/- 0.67   0.001% *  0.0535% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 6.31, residual support = 249.6:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.02  99.968% * 99.1085% (0.87   6.31 249.59) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   8.50 +/- 0.35   0.025% *  0.0621% (0.17   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  15.60 +/- 1.00   0.001% *  0.2970% (0.82   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  12.84 +/- 0.30   0.002% *  0.0873% (0.24   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  11.96 +/- 0.37   0.003% *  0.0550% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  16.84 +/- 0.52   0.000% *  0.2723% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  18.37 +/- 0.83   0.000% *  0.1178% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 5.79, residual support = 249.6:
    * O T HG12  ILE  119 - HB    ILE  119   2.44 +/- 0.03  99.969% * 98.1147% (0.87   5.79 249.59) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119   9.73 +/- 0.29   0.025% *  0.1046% (0.27   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  14.21 +/- 0.75   0.003% *  0.2192% (0.56   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  15.11 +/- 0.65   0.002% *  0.2589% (0.66   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  19.65 +/- 1.62   0.000% *  0.2327% (0.60   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  19.59 +/- 1.03   0.000% *  0.1783% (0.46   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  22.95 +/- 1.11   0.000% *  0.2830% (0.72   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  23.39 +/- 0.83   0.000% *  0.2327% (0.60   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  27.94 +/- 0.57   0.000% *  0.2713% (0.69   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  23.21 +/- 0.89   0.000% *  0.0523% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  29.03 +/- 2.21   0.000% *  0.0523% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.867, support = 5.44, residual support = 249.6:
    * O T HG13  ILE  119 - HB    ILE  119   3.03 +/- 0.00  98.476% * 98.8234% (0.87   5.44 249.59) =  99.999%  kept
          HD3   LYS+ 112 - HB    ILE  119   8.79 +/- 1.39   0.246% *  0.1911% (0.46   0.02   0.02) =   0.000%
        T QG1   VAL  107 - HB    ILE  119   7.03 +/- 0.36   0.670% *  0.0560% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.50 +/- 0.17   0.204% *  0.1121% (0.27   0.02   0.86) =   0.000%
        T QG2   VAL  107 - HB    ILE  119   7.70 +/- 0.49   0.401% *  0.0560% (0.13   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    ILE  119  18.44 +/- 0.62   0.002% *  0.2495% (0.60   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  24.33 +/- 0.56   0.000% *  0.3624% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  21.95 +/- 1.47   0.001% *  0.1493% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 5.44, residual support = 249.6:
    * O T QD1   ILE  119 - HB    ILE  119   2.34 +/- 0.04  99.993% * 99.2971% (0.84   5.44 249.59) = 100.000%  kept
          HB2   LEU  104 - HB    ILE  119  13.42 +/- 0.34   0.003% *  0.2746% (0.63   0.02   0.02) =   0.000%
        T QG2   VAL  108 - HB    ILE  119  12.98 +/- 0.52   0.004% *  0.2141% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  20.21 +/- 0.66   0.000% *  0.2141% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.79, residual support = 249.6:
    * O T HA    ILE  119 - QG2   ILE  119   2.72 +/- 0.09  99.033% * 98.9068% (1.00   6.79 249.59) =  99.997%  kept
        T HA    THR  118 - QG2   ILE  119   5.92 +/- 0.07   0.959% *  0.2810% (0.97   0.02  34.17) =   0.003%
          HA2   GLY  109 - QG2   ILE  119  13.98 +/- 0.40   0.006% *  0.2115% (0.73   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  21.69 +/- 0.59   0.000% *  0.2886% (0.99   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  24.02 +/- 0.56   0.000% *  0.2612% (0.90   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  18.38 +/- 0.54   0.001% *  0.0510% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 6.31, residual support = 249.6:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.02  99.984% * 97.6325% (0.87   6.31 249.59) = 100.000%  kept
          HB2   LYS+ 111 - QG2   ILE  119  10.34 +/- 0.50   0.008% *  0.1735% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE  119  12.88 +/- 0.59   0.002% *  0.2855% (0.80   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  13.44 +/- 0.43   0.002% *  0.2018% (0.57   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  14.06 +/- 0.45   0.001% *  0.2306% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  13.16 +/- 0.47   0.002% *  0.0991% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  15.12 +/- 0.61   0.001% *  0.1466% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  15.31 +/- 0.77   0.001% *  0.1466% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  19.19 +/- 0.52   0.000% *  0.3093% (0.87   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  19.50 +/- 0.55   0.000% *  0.3291% (0.92   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  20.53 +/- 0.85   0.000% *  0.3565% (1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  26.31 +/- 0.57   0.000% *  0.0889% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 6.1, residual support = 249.6:
    * O T HG12  ILE  119 - QG2   ILE  119   3.23 +/- 0.01  99.729% * 98.2094% (1.00   6.10 249.59) = 100.000%  kept
          HB2   ASP- 105 - QG2   ILE  119   9.27 +/- 0.22   0.181% *  0.0993% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  12.33 +/- 0.51   0.034% *  0.2459% (0.76   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  12.28 +/- 0.63   0.035% *  0.2082% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  15.47 +/- 0.85   0.009% *  0.1693% (0.53   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  17.90 +/- 1.31   0.004% *  0.2211% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  18.58 +/- 0.67   0.003% *  0.2211% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  20.29 +/- 0.90   0.002% *  0.2688% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  23.32 +/- 0.51   0.001% *  0.2577% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  19.98 +/- 0.78   0.002% *  0.0497% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  23.05 +/- 1.97   0.001% *  0.0497% (0.15   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 = 5.75, residual support = 249.6:
    * O T HG13  ILE  119 - QG2   ILE  119   2.50 +/- 0.06  99.486% * 98.8856% (1.00   5.75 249.59) = 100.000%  kept
          HD3   LYS+ 112 - QG2   ILE  119   8.43 +/- 1.30   0.101% *  0.1810% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.58 +/- 0.12   0.132% *  0.1062% (0.31   0.02   0.86) =   0.000%
          QG1   VAL  107 - QG2   ILE  119   7.28 +/- 0.28   0.175% *  0.0531% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   7.98 +/- 0.37   0.103% *  0.0531% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   ILE  119  15.23 +/- 0.53   0.002% *  0.2363% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  20.64 +/- 0.41   0.000% *  0.3433% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  18.91 +/- 1.19   0.001% *  0.1414% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 249.6:
    *   T QD1   ILE  119 - QG2   ILE  119   1.91 +/- 0.02  99.996% * 99.3345% (0.97   5.75 249.59) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  11.66 +/- 0.33   0.002% *  0.2600% (0.73   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  12.34 +/- 0.41   0.001% *  0.2027% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  17.56 +/- 0.46   0.000% *  0.2027% (0.57   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 = 1.0, support = 6.34, residual support = 249.6:
    * O T HA    ILE  119 - HG12  ILE  119   2.67 +/- 0.05  99.055% * 98.8303% (1.00   6.34 249.59) =  99.997%  kept
        T HA    THR  118 - HG12  ILE  119   5.86 +/- 0.21   0.937% *  0.3007% (0.97   0.02  34.17) =   0.003%
          HA2   GLY  109 - HG12  ILE  119  13.17 +/- 0.46   0.007% *  0.2262% (0.73   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  23.04 +/- 0.66   0.000% *  0.3088% (0.99   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  19.01 +/- 0.65   0.001% *  0.0546% (0.18   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  25.13 +/- 0.71   0.000% *  0.2794% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 5.79, residual support = 249.6:
    * O T HB    ILE  119 - HG12  ILE  119   2.44 +/- 0.03  99.954% * 97.4244% (0.87   5.79 249.59) = 100.000%  kept
          HB2   LYS+ 111 - HG12  ILE  119   9.47 +/- 0.46   0.031% *  0.1888% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  13.48 +/- 0.48   0.004% *  0.2509% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  12.26 +/- 0.56   0.006% *  0.1078% (0.28   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG12  ILE  119  14.28 +/- 0.36   0.003% *  0.2196% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  16.22 +/- 0.71   0.001% *  0.3106% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  17.40 +/- 0.74   0.001% *  0.1595% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  18.23 +/- 1.02   0.001% *  0.1595% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  21.20 +/- 0.60   0.000% *  0.3364% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  22.71 +/- 0.84   0.000% *  0.3879% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  22.36 +/- 0.47   0.000% *  0.3580% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  28.75 +/- 0.72   0.000% *  0.0967% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 6.1, residual support = 249.6:
    * O T QG2   ILE  119 - HG12  ILE  119   3.23 +/- 0.01  99.220% * 99.0781% (1.00   6.10 249.59) =  99.999%  kept
          QD1   LEU   67 - HG12  ILE  119   7.56 +/- 0.38   0.641% *  0.0642% (0.20   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  14.54 +/- 1.03   0.014% *  0.3071% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  10.86 +/- 0.35   0.070% *  0.0569% (0.18   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  12.00 +/- 0.24   0.038% *  0.0903% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  15.39 +/- 0.55   0.009% *  0.2816% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  16.00 +/- 0.82   0.007% *  0.1218% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1518 (2.26, 2.26, 30.83 ppm):
    1 diagonal assignment:
    *     HG12  ILE  119 - HG12  ILE  119  (1.00)  kept
 
    Peak 1519 (1.12, 2.26, 30.83 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 249.6:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  99.875% * 98.8021% (1.00   5.34 249.59) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   5.97 +/- 0.34   0.069% *  0.0571% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119   8.43 +/- 1.30   0.012% *  0.1946% (0.53   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   6.57 +/- 0.44   0.040% *  0.0571% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.35 +/- 0.20   0.004% *  0.1141% (0.31   0.02   0.86) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.53 +/- 0.62   0.000% *  0.2540% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  22.43 +/- 0.54   0.000% *  0.3690% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  20.01 +/- 1.46   0.000% *  0.1520% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 5.34, residual support = 249.6:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.994% * 99.2843% (0.97   5.34 249.59) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119  11.94 +/- 0.47   0.004% *  0.2180% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  12.56 +/- 0.30   0.003% *  0.2796% (0.73   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  17.84 +/- 0.62   0.000% *  0.2180% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 1.0, support = 5.87, residual support = 249.6:
    * O T HA    ILE  119 - HG13  ILE  119   2.32 +/- 0.07  99.824% * 98.7372% (1.00   5.87 249.59) =  99.999%  kept
        T HA    THR  118 - HG13  ILE  119   6.72 +/- 0.09   0.174% *  0.3246% (0.97   0.02  34.17) =   0.001%
          HA2   GLY  109 - HG13  ILE  119  14.63 +/- 0.46   0.002% *  0.2442% (0.73   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  23.55 +/- 0.63   0.000% *  0.3334% (0.99   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  19.06 +/- 0.67   0.000% *  0.0589% (0.18   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  25.98 +/- 0.66   0.000% *  0.3017% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 249.6:
    * O T HB    ILE  119 - HG13  ILE  119   3.03 +/- 0.00  99.910% * 97.2631% (0.87   5.44 249.59) = 100.000%  kept
          HB2   LYS+ 111 - HG13  ILE  119  11.19 +/- 0.46   0.041% *  0.2006% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  14.65 +/- 0.75   0.008% *  0.3300% (0.80   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  14.51 +/- 0.40   0.008% *  0.2333% (0.57   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  15.00 +/- 0.47   0.007% *  0.2666% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  13.10 +/- 0.49   0.016% *  0.1146% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  16.21 +/- 0.72   0.004% *  0.1694% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  17.07 +/- 1.01   0.003% *  0.1694% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  20.60 +/- 0.65   0.001% *  0.3575% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  22.12 +/- 0.94   0.001% *  0.4121% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  22.13 +/- 0.53   0.001% *  0.3805% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  28.69 +/- 0.73   0.000% *  0.1028% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 5.75, residual support = 249.6:
    * O T QG2   ILE  119 - HG13  ILE  119   2.50 +/- 0.06  99.660% * 99.0217% (1.00   5.75 249.59) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   6.70 +/- 0.41   0.309% *  0.0682% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  10.61 +/- 0.40   0.018% *  0.0603% (0.18   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  15.04 +/- 1.07   0.003% *  0.3259% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  14.57 +/- 0.56   0.003% *  0.2988% (0.87   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  12.56 +/- 0.27   0.006% *  0.0958% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.71 +/- 0.83   0.002% *  0.1293% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 249.6:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.994% * 97.9597% (1.00   5.34 249.59) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119   9.68 +/- 0.30   0.004% *  0.1132% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  11.77 +/- 0.76   0.001% *  0.2372% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  12.30 +/- 0.65   0.001% *  0.2802% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  17.18 +/- 1.02   0.000% *  0.1929% (0.53   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  18.99 +/- 1.46   0.000% *  0.2519% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  20.86 +/- 0.87   0.000% *  0.2519% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  22.05 +/- 1.07   0.000% *  0.3063% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.37 +/- 0.62   0.000% *  0.2936% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  21.04 +/- 0.92   0.000% *  0.0566% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  26.67 +/- 2.15   0.000% *  0.0566% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 5.0, residual support = 249.6:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.995% * 99.2356% (0.97   5.00 249.59) = 100.000%  kept
          HB2   LEU  104 - HG13  ILE  119  12.60 +/- 0.38   0.003% *  0.2987% (0.73   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG13  ILE  119  13.12 +/- 0.53   0.002% *  0.2329% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  18.07 +/- 0.59   0.000% *  0.2329% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 0.965, support = 5.87, residual support = 249.6:
    *   T HA    ILE  119 - QD1   ILE  119   3.71 +/- 0.03  96.971% * 98.7372% (0.97   5.87 249.59) =  99.990%  kept
          HA    THR  118 - QD1   ILE  119   6.68 +/- 0.14   2.915% *  0.3246% (0.93   0.02  34.17) =   0.010%
          HA2   GLY  109 - QD1   ILE  119  11.86 +/- 0.39   0.093% *  0.2442% (0.70   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  19.02 +/- 0.61   0.005% *  0.3334% (0.96   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  16.62 +/- 0.62   0.012% *  0.0589% (0.17   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  21.86 +/- 0.57   0.002% *  0.3017% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 5.44, residual support = 249.6:
    * O T HB    ILE  119 - QD1   ILE  119   2.34 +/- 0.04  99.928% * 97.2631% (0.84   5.44 249.59) = 100.000%  kept
          HB2   LYS+ 111 - QD1   ILE  119   8.72 +/- 0.40   0.038% *  0.2006% (0.47   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  10.85 +/- 0.38   0.010% *  0.2333% (0.55   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119  10.64 +/- 0.51   0.012% *  0.1146% (0.27   0.02   0.02) =   0.000%
        T HB    VAL  108 - QD1   ILE  119  12.65 +/- 0.41   0.004% *  0.2666% (0.62   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  13.60 +/- 0.76   0.003% *  0.3300% (0.77   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  14.47 +/- 0.77   0.002% *  0.1694% (0.40   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  15.59 +/- 0.86   0.001% *  0.1694% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  18.73 +/- 0.60   0.000% *  0.3575% (0.84   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  19.89 +/- 0.83   0.000% *  0.4121% (0.97   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  20.42 +/- 0.41   0.000% *  0.3805% (0.89   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  25.04 +/- 0.66   0.000% *  0.1028% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 249.6:
    *   T QG2   ILE  119 - QD1   ILE  119   1.91 +/- 0.02  99.957% * 99.0217% (0.97   5.75 249.59) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   7.27 +/- 0.36   0.035% *  0.0682% (0.19   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  13.78 +/- 0.87   0.001% *  0.3259% (0.91   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  13.50 +/- 0.53   0.001% *  0.2988% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  10.49 +/- 0.32   0.004% *  0.0603% (0.17   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.71 +/- 0.20   0.002% *  0.0958% (0.27   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  13.63 +/- 0.73   0.001% *  0.1293% (0.36   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 = 5.34, residual support = 249.6:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.972% * 97.9597% (0.97   5.34 249.59) = 100.000%  kept
          HB2   ASP-  44 - QD1   ILE  119  10.57 +/- 0.64   0.008% *  0.2372% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QD1   ILE  119   9.54 +/- 0.18   0.013% *  0.1132% (0.30   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119  11.61 +/- 0.63   0.004% *  0.2802% (0.74   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  15.59 +/- 1.37   0.001% *  0.2519% (0.66   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  15.71 +/- 0.86   0.001% *  0.1929% (0.51   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  18.02 +/- 0.92   0.000% *  0.3063% (0.81   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  18.55 +/- 0.82   0.000% *  0.2519% (0.66   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  22.56 +/- 0.58   0.000% *  0.2936% (0.77   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  17.79 +/- 0.82   0.000% *  0.0566% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  23.34 +/- 1.95   0.000% *  0.0566% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 5.0, residual support = 249.6:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.381% * 98.7209% (0.97   5.00 249.59) =  99.999%  kept
          HD3   LYS+ 112 - QD1   ILE  119   6.20 +/- 1.30   0.356% *  0.2078% (0.51   0.02   0.02) =   0.001%
          QG1   VAL  107 - QD1   ILE  119   6.54 +/- 0.24   0.130% *  0.0609% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   6.70 +/- 0.34   0.116% *  0.0609% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   9.34 +/- 0.13   0.015% *  0.1219% (0.30   0.02   0.86) =   0.000%
          QB    ALA   20 - QD1   ILE  119  13.98 +/- 0.59   0.001% *  0.2712% (0.66   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  17.61 +/- 1.24   0.000% *  0.1623% (0.40   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  20.22 +/- 0.49   0.000% *  0.3940% (0.96   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 = 0.946, support = 2.33, residual support = 11.8:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.02  99.903% * 96.1803% (0.95   2.33  11.84) = 100.000%  kept
          HG    LEU  115 - HA    ALA  120   9.92 +/- 0.48   0.011% *  0.8249% (0.95   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    ALA  120   7.47 +/- 0.61   0.062% *  0.1345% (0.15   0.02   2.35) =   0.000%
          HG    LEU   67 - HA    ALA  120  10.12 +/- 0.75   0.010% *  0.4588% (0.53   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120   9.92 +/- 0.49   0.011% *  0.3585% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  14.71 +/- 0.50   0.001% *  0.8701% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.99 +/- 0.56   0.001% *  0.3585% (0.41   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  14.57 +/- 1.18   0.001% *  0.1726% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.28 +/- 0.75   0.000% *  0.4245% (0.49   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  24.33 +/- 0.65   0.000% *  0.2174% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.946, support = 2.33, residual support = 11.8:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.02  96.550% * 94.9099% (0.95   2.33  11.84) =  99.979%  kept
          HA    LYS+ 121 - QB    ALA  120   3.88 +/- 0.05   2.693% *  0.6221% (0.72   0.02   2.35) =   0.018%
          QB    SER  117 - QB    ALA  120   4.81 +/- 0.10   0.754% *  0.3346% (0.39   0.02   5.88) =   0.003%
          HA    LYS+  65 - QB    ALA  120  13.81 +/- 0.64   0.001% *  0.6221% (0.72   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  16.21 +/- 0.26   0.001% *  0.6799% (0.79   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  17.27 +/- 0.77   0.000% *  0.6799% (0.79   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  21.89 +/- 0.58   0.000% *  0.7514% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  20.96 +/- 0.38   0.000% *  0.5591% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  19.30 +/- 0.36   0.000% *  0.1611% (0.19   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  27.34 +/- 0.61   0.000% *  0.6799% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.988, support = 8.14, residual support = 310.8:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.85 +/- 0.09  73.759% * 95.2723% (1.00   8.24 314.58) =  98.803%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.45 +/- 0.27  24.730% *  3.4387% (0.06   4.75 160.53) =   1.196%
        T HB2   LEU  123 - HA    LYS+ 121   5.54 +/- 0.27   1.454% *  0.0714% (0.31   0.02   2.19) =   0.001%
        T QD    LYS+  65 - HA    LYS+ 121  16.40 +/- 0.51   0.002% *  0.2308% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.23 +/- 1.27   0.004% *  0.1217% (0.53   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.51 +/- 0.70   0.001% *  0.2074% (0.90   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.01 +/- 0.57   0.002% *  0.0643% (0.28   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.56 +/- 0.17   0.002% *  0.0714% (0.31   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  10.93 +/- 0.24   0.024% *  0.0045% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.56 +/- 0.57   0.001% *  0.1403% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  13.55 +/- 0.74   0.007% *  0.0088% (0.04   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.28 +/- 0.73   0.003% *  0.0145% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.25 +/- 2.31   0.003% *  0.0130% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  20.47 +/- 0.29   0.001% *  0.0789% (0.34   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.96 +/- 0.69   0.006% *  0.0045% (0.02   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  31.06 +/- 1.33   0.000% *  0.2267% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.59 +/- 0.76   0.001% *  0.0050% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.23 +/- 0.50   0.000% *  0.0076% (0.03   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  28.44 +/- 0.60   0.000% *  0.0142% (0.06   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.13 +/- 0.46   0.000% *  0.0040% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 7.28, residual support = 314.6:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.07 +/- 0.12  99.962% * 99.1733% (1.00   7.28 314.58) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.28 +/- 0.38   0.007% *  0.2514% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.62 +/- 0.07   0.021% *  0.0841% (0.31   0.02   0.86) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  14.94 +/- 0.35   0.001% *  0.1326% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  11.39 +/- 0.53   0.004% *  0.0137% (0.05   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.21 +/- 0.47   0.004% *  0.0053% (0.02   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.17 +/- 0.46   0.000% *  0.2181% (0.80   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  15.29 +/- 0.39   0.001% *  0.0158% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  17.40 +/- 0.51   0.000% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  23.21 +/- 0.49   0.000% *  0.0757% (0.28   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.32 +/- 0.49   0.000% *  0.0083% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  19.92 +/- 0.55   0.000% *  0.0048% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.7, residual support = 314.6:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.14 +/- 0.31  99.002% * 99.4586% (1.00   6.70 314.58) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.38 +/- 0.18   0.698% *  0.1445% (0.49   0.02   2.19) =   0.001%
          QD1   ILE   56 - HA    LYS+ 121  11.33 +/- 0.21   0.052% *  0.1800% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65   9.77 +/- 0.68   0.134% *  0.0091% (0.03   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+ 121  17.09 +/- 0.35   0.004% *  0.1013% (0.34   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  10.83 +/- 0.38   0.071% *  0.0064% (0.02   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.25 +/- 0.17   0.032% *  0.0113% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  16.90 +/- 0.55   0.005% *  0.0186% (0.06   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  22.90 +/- 1.19   0.001% *  0.0661% (0.22   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  18.97 +/- 1.18   0.003% *  0.0041% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.569, support = 7.68, residual support = 306.4:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.85 +/- 0.10  49.357% * 25.2761% (0.31   8.29 314.58) =  55.078%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.73 +/- 0.51  12.716% * 70.5493% (1.00   7.14 314.58) =  39.607%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.07 +/- 0.48  37.142% *  3.2415% (0.06   5.27 160.53) =   5.315%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.94 +/- 0.57   0.704% *  0.0099% (0.05   0.02  26.46) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  10.50 +/- 0.88   0.024% *  0.1582% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.37 +/- 0.47   0.013% *  0.0610% (0.31   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.00 +/- 0.72   0.001% *  0.1958% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.64 +/- 0.62   0.007% *  0.0346% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.06 +/- 0.34   0.003% *  0.0440% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  11.76 +/- 0.36   0.010% *  0.0095% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  20.75 +/- 0.40   0.000% *  0.1510% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  23.85 +/- 0.40   0.000% *  0.1907% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  11.98 +/- 0.91   0.010% *  0.0022% (0.01   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.97 +/- 0.47   0.002% *  0.0120% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.07 +/- 1.38   0.001% *  0.0124% (0.06   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.32 +/- 0.61   0.000% *  0.0391% (0.20   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.63 +/- 0.58   0.004% *  0.0025% (0.01   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.04 +/- 0.56   0.002% *  0.0038% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  16.87 +/- 0.56   0.001% *  0.0038% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.51 +/- 0.45   0.000% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.99, support = 6.67, residual support = 298.1:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.76 +/- 0.65  91.263% * 58.2175% (1.00   6.73 314.58) =  93.826%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.89 +/- 0.07   8.419% * 41.5256% (0.84   5.75  48.27) =   6.173%  kept
          HB3   HIS  122 - HA    LYS+  65  10.40 +/- 0.48   0.278% *  0.0091% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  16.38 +/- 0.83   0.018% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  25.60 +/- 0.56   0.001% *  0.1188% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  16.88 +/- 0.57   0.015% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  28.17 +/- 0.49   0.001% *  0.0775% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  29.51 +/- 0.72   0.001% *  0.0267% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  22.96 +/- 0.58   0.002% *  0.0049% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  24.01 +/- 0.55   0.002% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.43 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 = 1.0, support = 8.24, residual support = 314.6:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.85 +/- 0.09  96.963% * 98.5716% (1.00   8.24 314.58) =  99.994%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.65 +/- 0.22   1.604% *  0.1829% (0.76   0.02   2.35) =   0.003%
          QB    SER  117 - HB2   LYS+ 121   5.94 +/- 0.67   1.387% *  0.1999% (0.84   0.02   0.02) =   0.003%
          HA    PHE   60 - HB2   LYS+ 121  10.72 +/- 0.35   0.036% *  0.0665% (0.28   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  15.59 +/- 0.29   0.004% *  0.2372% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   LYS+ 121  15.28 +/- 0.73   0.005% *  0.0816% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  18.73 +/- 1.08   0.001% *  0.0984% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  24.02 +/- 0.56   0.000% *  0.2264% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  24.32 +/- 0.37   0.000% *  0.2372% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  29.60 +/- 0.70   0.000% *  0.0984% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 7.7, residual support = 314.6:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.84 +/- 0.17  99.367% * 99.2783% (1.00   7.70 314.58) =  99.999%  kept
          QG2   VAL  107 - HB2   LYS+ 121   8.13 +/- 0.54   0.197% *  0.2382% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   7.10 +/- 0.12   0.422% *  0.0796% (0.31   0.02   0.86) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  12.98 +/- 0.37   0.012% *  0.1256% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.46 +/- 0.61   0.001% *  0.2066% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  21.40 +/- 0.85   0.001% *  0.0717% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 1.0, support = 7.13, residual support = 314.6:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.83 +/- 0.20  99.715% * 99.5371% (1.00   7.13 314.58) = 100.000%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   8.05 +/- 0.25   0.197% *  0.1360% (0.49   0.02   2.19) =   0.000%
          QD1   ILE   56 - HB2   LYS+ 121   9.37 +/- 0.30   0.083% *  0.1694% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  15.50 +/- 0.67   0.004% *  0.0953% (0.34   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  20.90 +/- 1.35   0.001% *  0.0622% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.538, support = 8.48, residual support = 314.6:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  84.737% * 26.4256% (0.31   8.93 314.58) =  66.868%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.54 +/- 0.54  15.256% * 72.7256% (1.00   7.58 314.58) =  33.132%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.53 +/- 0.81   0.002% *  0.1536% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  10.37 +/- 0.73   0.002% *  0.0592% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  11.72 +/- 0.41   0.001% *  0.0427% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  11.68 +/- 1.15   0.001% *  0.0336% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.93 +/- 0.77   0.000% *  0.1901% (0.99   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  18.55 +/- 0.59   0.000% *  0.1466% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  22.17 +/- 0.59   0.000% *  0.1851% (0.97   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.94 +/- 0.64   0.000% *  0.0380% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 0.986, support = 7.08, residual support = 292.0:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.69 +/- 0.37  88.558% * 58.1155% (1.00   7.17 314.58) =  91.522%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.47 +/- 0.44  11.439% * 41.6755% (0.84   6.16  48.27) =   8.478%  kept
          HG2   GLN   30 - HB2   LYS+ 121  23.81 +/- 0.84   0.001% *  0.1113% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  26.19 +/- 0.82   0.001% *  0.0727% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  26.87 +/- 0.71   0.001% *  0.0250% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.28, residual support = 314.6:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.07 +/- 0.12  99.787% * 98.3872% (1.00   7.28 314.58) = 100.000%  kept
          QB    SER  117 - HG2   LYS+ 121   6.51 +/- 0.40   0.119% *  0.2257% (0.84   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   LYS+ 121   6.71 +/- 0.13   0.092% *  0.2065% (0.76   0.02   2.35) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  13.36 +/- 0.32   0.002% *  0.0751% (0.28   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.50 +/- 0.35   0.000% *  0.2678% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  17.40 +/- 0.51   0.000% *  0.0922% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  20.51 +/- 0.96   0.000% *  0.1111% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  26.27 +/- 0.58   0.000% *  0.2556% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.88 +/- 0.35   0.000% *  0.2678% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  31.35 +/- 0.78   0.000% *  0.1111% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 7.7, residual support = 314.6:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.84 +/- 0.17  99.672% * 98.6556% (1.00   7.70 314.58) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.56 +/- 0.27   0.307% *  0.0791% (0.31   0.02   2.19) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  13.83 +/- 1.34   0.009% *  0.1349% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.66 +/- 0.50   0.002% *  0.2558% (1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  18.01 +/- 0.59   0.002% *  0.2299% (0.90   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  15.16 +/- 0.68   0.005% *  0.0713% (0.28   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  17.11 +/- 0.20   0.002% *  0.0791% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  20.63 +/- 0.56   0.001% *  0.1555% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  20.26 +/- 0.38   0.001% *  0.0875% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  30.21 +/- 1.45   0.000% *  0.2513% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 314.6:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.993% * 99.4779% (1.00   6.31 314.58) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   9.04 +/- 0.21   0.005% *  0.1534% (0.49   0.02   2.19) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  11.47 +/- 0.25   0.001% *  0.1911% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  17.06 +/- 0.46   0.000% *  0.1075% (0.34   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  22.32 +/- 1.19   0.000% *  0.0702% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.86, support = 6.87, residual support = 314.6:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.68 +/- 0.22  58.825% * 72.7330% (1.00   6.64 314.58) =  79.817%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.86 +/- 0.16  41.139% * 26.2973% (0.31   7.78 314.58) =  20.182%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  12.04 +/- 0.85   0.008% *  0.1755% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   LYS+ 121  10.46 +/- 0.52   0.017% *  0.0676% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  12.62 +/- 0.91   0.006% *  0.0384% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  13.41 +/- 0.43   0.004% *  0.0488% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.25 +/- 0.68   0.001% *  0.2172% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  20.97 +/- 0.43   0.000% *  0.1675% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  23.78 +/- 0.43   0.000% *  0.2115% (0.97   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.50 +/- 0.61   0.000% *  0.0434% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 1.0, support = 6.31, residual support = 314.6:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.46 +/- 0.44  99.771% * 99.3314% (1.00   6.31 314.58) =  99.999%  kept
          HB3   HIS  122 - HG2   LYS+ 121   7.27 +/- 0.27   0.229% *  0.2628% (0.84   0.02  48.27) =   0.001%
          HG2   GLN   30 - HG2   LYS+ 121  25.53 +/- 0.61   0.000% *  0.2161% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  27.57 +/- 0.60   0.000% *  0.1411% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  29.23 +/- 0.69   0.000% *  0.0485% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 1.0, support = 6.7, residual support = 314.6:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.14 +/- 0.31  97.360% * 97.5697% (1.00   6.70 314.58) =  99.994%  kept
          QB    SER  117 - HG3   LYS+ 121   6.87 +/- 0.83   1.685% *  0.2432% (0.84   0.02   0.02) =   0.004%
          HA    ALA  120 - HG3   LYS+ 121   7.55 +/- 0.16   0.549% *  0.2226% (0.76   0.02   2.35) =   0.001%
          HA2   GLY   16 - QD2   LEU   73  10.12 +/- 0.57   0.105% *  0.0408% (0.14   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  11.94 +/- 0.28   0.037% *  0.0984% (0.34   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   9.98 +/- 0.27   0.109% *  0.0276% (0.09   0.02   0.59) =   0.000%
        T HA    LYS+  65 - QD2   LEU   73  10.83 +/- 0.38   0.069% *  0.0339% (0.12   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  12.61 +/- 0.48   0.029% *  0.0810% (0.28   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  12.88 +/- 0.58   0.024% *  0.0939% (0.32   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  16.33 +/- 0.70   0.006% *  0.2886% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  16.90 +/- 0.55   0.005% *  0.0993% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  17.09 +/- 0.35   0.004% *  0.0993% (0.34   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  17.16 +/- 0.42   0.004% *  0.0829% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  17.78 +/- 0.58   0.004% *  0.0759% (0.26   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.61 +/- 0.33   0.003% *  0.0984% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  19.86 +/- 0.95   0.002% *  0.1197% (0.41   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  17.85 +/- 0.25   0.003% *  0.0408% (0.14   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  25.37 +/- 0.70   0.000% *  0.2755% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  26.29 +/- 0.62   0.000% *  0.2886% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  30.27 +/- 0.79   0.000% *  0.1197% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.31 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 = 1.0, support = 7.13, residual support = 314.6:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.83 +/- 0.20  99.376% * 97.9728% (1.00   7.13 314.58) = 100.000%  kept
          HD2   LYS+  74 - QD2   LEU   73   7.46 +/- 0.26   0.324% *  0.0569% (0.21   0.02  45.79) =   0.000%
        T HB2   LEU  123 - HG3   LYS+ 121   8.45 +/- 0.29   0.156% *  0.0849% (0.31   0.02   2.19) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  11.93 +/- 1.15   0.045% *  0.0841% (0.31   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.80 +/- 1.30   0.017% *  0.1447% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  11.71 +/- 0.55   0.021% *  0.0935% (0.34   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.48 +/- 0.31   0.024% *  0.0289% (0.11   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  17.04 +/- 0.69   0.002% *  0.2466% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.37 +/- 0.52   0.002% *  0.2743% (1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU   73  15.26 +/- 0.58   0.004% *  0.0919% (0.33   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  14.86 +/- 1.23   0.005% *  0.0764% (0.28   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  15.50 +/- 0.67   0.004% *  0.0938% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  14.21 +/- 0.54   0.007% *  0.0493% (0.18   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  16.66 +/- 0.33   0.002% *  0.0849% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  19.53 +/- 0.65   0.001% *  0.1668% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  15.07 +/- 0.62   0.005% *  0.0320% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.51 +/- 0.67   0.001% *  0.0938% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  18.18 +/- 0.50   0.002% *  0.0289% (0.11   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  28.88 +/- 1.45   0.000% *  0.2695% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  20.03 +/- 0.61   0.001% *  0.0261% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 314.6:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.886% * 98.7203% (1.00   6.31 314.58) = 100.000%  kept
          QB    ALA   20 - QD2   LEU   73   6.16 +/- 0.21   0.054% *  0.0854% (0.27   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   9.08 +/- 0.57   0.006% *  0.2887% (0.92   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QD2   LEU   73   6.31 +/- 0.21   0.047% *  0.0296% (0.09   0.02   5.09) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.54 +/- 0.19   0.004% *  0.0965% (0.31   0.02   0.86) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  12.07 +/- 0.48   0.001% *  0.1522% (0.49   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  12.31 +/- 0.37   0.001% *  0.0984% (0.31   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.53 +/- 0.41   0.001% *  0.0519% (0.17   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  17.06 +/- 0.46   0.000% *  0.1066% (0.34   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  14.39 +/- 0.53   0.000% *  0.0329% (0.11   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  20.58 +/- 0.58   0.000% *  0.2504% (0.80   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  21.09 +/- 0.65   0.000% *  0.0869% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.64, support = 6.67, residual support = 314.6:
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.36 +/- 0.11  74.707% * 25.7453% (0.31   7.10 314.58) =  52.140%  kept
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.88 +/- 0.21  24.265% * 72.7560% (1.00   6.20 314.58) =  47.858%  kept
          QG2   THR   26 - QD2   LEU   73   5.50 +/- 0.21   0.494% *  0.0773% (0.33   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU   73   5.67 +/- 0.34   0.408% *  0.0612% (0.26   0.02  45.79) =   0.001%
          HG    LEU  104 - HG3   LYS+ 121   9.12 +/- 0.64   0.024% *  0.0725% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG3   LYS+ 121  12.08 +/- 0.79   0.004% *  0.1881% (0.80   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   8.55 +/- 0.26   0.033% *  0.0158% (0.07   0.02  45.79) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.47 +/- 0.51   0.037% *  0.0140% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  11.51 +/- 0.87   0.006% *  0.0794% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  11.48 +/- 0.87   0.006% *  0.0411% (0.18   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  13.25 +/- 0.47   0.002% *  0.0641% (0.27   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  12.93 +/- 0.95   0.003% *  0.0523% (0.22   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.33 +/- 0.60   0.006% *  0.0247% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  17.81 +/- 0.63   0.000% *  0.2328% (0.99   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  16.19 +/- 1.02   0.001% *  0.0801% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  19.86 +/- 0.55   0.000% *  0.1795% (0.76   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  15.17 +/- 0.54   0.001% *  0.0247% (0.11   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  22.67 +/- 0.49   0.000% *  0.2267% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  17.10 +/- 0.55   0.001% *  0.0178% (0.08   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  20.46 +/- 0.75   0.000% *  0.0465% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 1.0, support = 6.0, residual support = 314.6:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.65 +/- 0.45  91.923% * 98.9477% (1.00   6.00 314.58) =  99.992%  kept
          HG2   GLN   30 - QD2   LEU   73   4.23 +/- 0.43   7.406% *  0.0773% (0.23   0.02   8.99) =   0.006%
          HB3   HIS  122 - HG3   LYS+ 121   7.14 +/- 0.50   0.508% *  0.2755% (0.84   0.02  48.27) =   0.002%
          HB3   ASN   28 - QD2   LEU   73   8.20 +/- 0.22   0.147% *  0.0504% (0.15   0.02   4.04) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  13.79 +/- 0.67   0.008% *  0.0939% (0.28   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  15.05 +/- 0.79   0.004% *  0.1125% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.79 +/- 0.33   0.004% *  0.0174% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  24.21 +/- 0.62   0.000% *  0.2266% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  26.10 +/- 0.65   0.000% *  0.1479% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  28.13 +/- 0.90   0.000% *  0.0509% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 1.0, support = 7.14, residual support = 314.4:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.73 +/- 0.51  76.210% * 97.8295% (1.00   7.14 314.58) =  99.960%  kept
          QB    SER  117 - HD2   LYS+ 121   6.18 +/- 1.59  11.086% *  0.2288% (0.84   0.02   0.02) =   0.034%
        T HA    ALA  120 - HD2   LYS+ 121   7.47 +/- 0.61   1.226% *  0.2094% (0.76   0.02   2.35) =   0.003%
        T HA    LYS+  65 - QD    LYS+  66   5.94 +/- 0.57   6.442% *  0.0116% (0.04   0.02  26.46) =   0.001%
          QB    SER   48 - HD3   LYS+  74   7.98 +/- 0.96   1.476% *  0.0404% (0.15   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    LYS+  66   7.94 +/- 1.11   1.331% *  0.0260% (0.10   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   8.75 +/- 0.99   0.770% *  0.0095% (0.03   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  10.61 +/- 0.49   0.165% *  0.0424% (0.15   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  66  10.50 +/- 0.88   0.202% *  0.0341% (0.12   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   9.09 +/- 0.59   0.470% *  0.0119% (0.04   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  12.53 +/- 0.68   0.063% *  0.0762% (0.28   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  16.08 +/- 0.79   0.016% *  0.2715% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66   9.61 +/- 0.48   0.314% *  0.0140% (0.05   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  12.16 +/- 0.42   0.072% *  0.0424% (0.15   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.85 +/- 0.74   0.054% *  0.0285% (0.10   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  17.07 +/- 1.38   0.009% *  0.0934% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  13.63 +/- 0.58   0.039% *  0.0146% (0.05   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  20.17 +/- 1.83   0.003% *  0.1126% (0.41   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  15.88 +/- 0.62   0.015% *  0.0176% (0.06   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  25.13 +/- 0.75   0.001% *  0.2592% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  25.76 +/- 0.86   0.001% *  0.2715% (0.99   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  18.55 +/- 0.48   0.006% *  0.0357% (0.13   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.76 +/- 0.90   0.006% *  0.0338% (0.12   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.26 +/- 0.53   0.009% *  0.0176% (0.06   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  21.32 +/- 0.61   0.003% *  0.0427% (0.16   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  20.50 +/- 0.77   0.003% *  0.0327% (0.12   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  20.78 +/- 1.06   0.003% *  0.0322% (0.12   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  21.44 +/- 1.19   0.003% *  0.0338% (0.12   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  30.01 +/- 1.23   0.000% *  0.1126% (0.41   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  28.88 +/- 0.86   0.000% *  0.0140% (0.05   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 = 0.83, support = 6.79, residual support = 288.6:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.54 +/- 0.54  15.252% * 94.3574% (1.00   7.58 314.58) =  81.252%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  84.581% *  3.9258% (0.09   3.34 176.28) =  18.747%  kept
        T QD    LYS+  65 - QD    LYS+  66   6.06 +/- 0.83   0.082% *  0.0309% (0.12   0.02  26.46) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   8.48 +/- 0.78   0.008% *  0.0768% (0.31   0.02   2.19) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   6.44 +/- 0.53   0.042% *  0.0120% (0.05   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   7.28 +/- 1.06   0.027% *  0.0095% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  13.35 +/- 1.42   0.001% *  0.1309% (0.53   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  10.53 +/- 0.81   0.002% *  0.0309% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74   9.81 +/- 0.97   0.003% *  0.0132% (0.05   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  14.15 +/- 1.43   0.000% *  0.0692% (0.28   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  12.70 +/- 0.79   0.001% *  0.0387% (0.16   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  17.41 +/- 1.10   0.000% *  0.2483% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  17.70 +/- 1.52   0.000% *  0.2232% (0.90   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.29 +/- 1.01   0.001% *  0.0095% (0.04   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  16.36 +/- 0.54   0.000% *  0.0768% (0.31   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.43 +/- 0.74   0.000% *  0.1509% (0.61   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  16.14 +/- 0.72   0.000% *  0.0380% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  18.99 +/- 0.99   0.000% *  0.0849% (0.34   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  15.74 +/- 1.28   0.000% *  0.0188% (0.08   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  18.28 +/- 1.74   0.000% *  0.0277% (0.11   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.94 +/- 0.64   0.000% *  0.0388% (0.16   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  28.73 +/- 1.78   0.000% *  0.2439% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  22.49 +/- 1.59   0.000% *  0.0348% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  19.55 +/- 0.66   0.000% *  0.0163% (0.07   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  18.58 +/- 1.08   0.000% *  0.0106% (0.04   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  19.35 +/- 0.42   0.000% *  0.0108% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  22.28 +/- 0.83   0.000% *  0.0204% (0.08   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.91 +/- 1.00   0.000% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  21.48 +/- 0.74   0.000% *  0.0120% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  28.60 +/- 1.24   0.000% *  0.0303% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.43 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 = 6.64, residual support = 314.6:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.68 +/- 0.22  98.075% * 98.8499% (1.00   6.64 314.58) =  99.999%  kept
          QB    ALA   20 - HD3   LYS+  74   5.74 +/- 0.37   1.216% *  0.0372% (0.12   0.02   8.13) =   0.000%
          QG2   VAL  107 - HD2   LYS+ 121   8.61 +/- 1.24   0.140% *  0.2749% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   9.26 +/- 0.63   0.072% *  0.0919% (0.31   0.02   0.86) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   7.46 +/- 1.01   0.433% *  0.0114% (0.04   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  12.41 +/- 0.85   0.012% *  0.1450% (0.49   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  11.80 +/- 0.40   0.015% *  0.0429% (0.14   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  12.04 +/- 0.85   0.014% *  0.0370% (0.12   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  12.90 +/- 0.73   0.009% *  0.0342% (0.11   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.60 +/- 0.76   0.001% *  0.2385% (0.80   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  14.58 +/- 0.67   0.004% *  0.0297% (0.10   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.63 +/- 0.76   0.004% *  0.0143% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  21.49 +/- 1.31   0.000% *  0.0828% (0.28   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.32 +/- 0.54   0.001% *  0.0226% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.37 +/- 0.43   0.002% *  0.0129% (0.04   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.50 +/- 0.61   0.000% *  0.0465% (0.16   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.59 +/- 0.72   0.001% *  0.0180% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  21.12 +/- 0.60   0.000% *  0.0103% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.6:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.88 +/- 0.21  77.958% * 99.2306% (1.00   6.20 314.58) =  99.994%  kept
          QD2   LEU  123 - QD    LYS+  66   4.01 +/- 0.97  21.642% *  0.0194% (0.06   0.02   0.02) =   0.005%
          QD2   LEU  123 - HD2   LYS+ 121   9.57 +/- 0.73   0.073% *  0.1559% (0.49   0.02   2.19) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  10.63 +/- 0.76   0.040% *  0.1943% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74   9.28 +/- 0.47   0.078% *  0.0303% (0.09   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+  74   8.55 +/- 0.26   0.126% *  0.0170% (0.05   0.02  45.79) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  10.58 +/- 0.83   0.044% *  0.0242% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  12.08 +/- 0.79   0.016% *  0.0398% (0.12   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  16.19 +/- 1.02   0.003% *  0.1093% (0.34   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  13.25 +/- 0.47   0.009% *  0.0136% (0.04   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.13 +/- 0.45   0.006% *  0.0111% (0.03   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.26 +/- 0.77   0.002% *  0.0243% (0.08   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  21.16 +/- 1.77   0.001% *  0.0713% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  20.46 +/- 0.75   0.001% *  0.0500% (0.16   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  20.47 +/- 1.19   0.001% *  0.0089% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 1.0, support = 6.14, residual support = 314.6:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.38 +/- 0.14  99.172% * 99.0318% (1.00   6.14 314.58) =  99.999%  kept
          HB3   HIS  122 - HD2   LYS+ 121   7.28 +/- 1.21   0.240% *  0.2695% (0.84   0.02  48.27) =   0.001%
          HB3   HIS  122 - QD    LYS+  66   6.01 +/- 0.82   0.560% *  0.0335% (0.10   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  11.94 +/- 0.85   0.007% *  0.0401% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.45 +/- 0.73   0.015% *  0.0078% (0.02   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  13.85 +/- 0.43   0.003% *  0.0346% (0.11   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  17.29 +/- 0.74   0.001% *  0.0420% (0.13   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  24.51 +/- 1.32   0.000% *  0.2216% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  19.30 +/- 0.96   0.000% *  0.0503% (0.16   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.27 +/- 0.33   0.001% *  0.0226% (0.07   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.90 +/- 0.68   0.000% *  0.0276% (0.09   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  26.41 +/- 1.23   0.000% *  0.1447% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  27.84 +/- 0.93   0.000% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  24.59 +/- 0.64   0.000% *  0.0180% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  24.83 +/- 1.22   0.000% *  0.0062% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 71.9:
    * O T HB2   HIS  122 - HA    HIS  122   2.49 +/- 0.05  99.998% * 98.9679% (1.00   3.44  71.94) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.19 +/- 0.33   0.002% *  0.5160% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  19.43 +/- 0.37   0.000% *  0.5160% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 1.0, support = 3.54, residual support = 71.9:
    * O T HB3   HIS  122 - HA    HIS  122   2.92 +/- 0.26  98.279% * 99.0136% (1.00   3.54  71.94) =  99.992%  kept
          QE    LYS+ 121 - HA    HIS  122   6.36 +/- 1.08   1.720% *  0.4675% (0.84   0.02  48.27) =   0.008%
          HG2   GLN   30 - HA    HIS  122  22.36 +/- 0.57   0.001% *  0.1909% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  28.53 +/- 0.69   0.000% *  0.2301% (0.41   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  25.74 +/- 0.53   0.000% *  0.0980% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 71.9:
    * O T HA    HIS  122 - HB2   HIS  122   2.49 +/- 0.05  99.992% * 99.2502% (1.00   3.44  71.94) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  12.19 +/- 0.48   0.008% *  0.4621% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  18.44 +/- 0.37   0.001% *  0.1439% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  22.17 +/- 0.35   0.000% *  0.1439% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 1.0, support = 4.1, residual support = 71.9:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.987% * 99.1480% (1.00   4.10  71.94) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   8.14 +/- 0.87   0.013% *  0.4037% (0.84   0.02  48.27) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  21.01 +/- 0.66   0.000% *  0.1649% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  27.14 +/- 0.76   0.000% *  0.1987% (0.41   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  24.92 +/- 0.63   0.000% *  0.0846% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 3.54, residual support = 71.9:
    * O T HA    HIS  122 - HB3   HIS  122   2.92 +/- 0.26  99.983% * 99.2709% (1.00   3.54  71.94) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  12.81 +/- 0.82   0.015% *  0.4493% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.98 +/- 0.39   0.002% *  0.1399% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.20 +/- 0.31   0.001% *  0.1399% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 71.9:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.999% * 99.1332% (1.00   4.10  71.94) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  13.23 +/- 0.66   0.001% *  0.4334% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  17.29 +/- 0.42   0.000% *  0.4334% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 6.1, residual support = 203.6:
    * O T HB2   LEU  123 - HA    LEU  123   3.02 +/- 0.01  99.637% * 97.8355% (1.00   6.10 203.56) = 100.000%  kept
          HB2   LYS+ 121 - HA    LEU  123   7.94 +/- 0.31   0.312% *  0.0989% (0.31   0.02   2.19) =   0.000%
        T QD    LYS+  99 - HA    LEU  123  12.54 +/- 0.55   0.020% *  0.1318% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.48 +/- 0.78   0.021% *  0.1094% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  16.91 +/- 0.81   0.003% *  0.1437% (0.45   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  19.33 +/- 1.06   0.002% *  0.2959% (0.92   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  19.87 +/- 0.68   0.001% *  0.2875% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  19.65 +/- 1.26   0.002% *  0.1815% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  20.75 +/- 0.71   0.001% *  0.2074% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  22.45 +/- 0.42   0.001% *  0.3199% (1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  24.80 +/- 1.03   0.000% *  0.2567% (0.80   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  33.79 +/- 1.05   0.000% *  0.1318% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 5.83, residual support = 203.6:
    * O T HB3   LEU  123 - HA    LEU  123   2.50 +/- 0.04  99.997% * 98.8046% (1.00   5.83 203.56) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.87 +/- 0.37   0.002% *  0.2939% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.57 +/- 0.33   0.000% *  0.3039% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  21.68 +/- 1.12   0.000% *  0.3388% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  20.92 +/- 0.90   0.000% *  0.1918% (0.57   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  23.43 +/- 0.78   0.000% *  0.0671% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 5.34, residual support = 203.5:
    * O T HG    LEU  123 - HA    LEU  123   3.47 +/- 0.60  91.804% * 95.9759% (0.69   5.34 203.56) =  99.992%  kept
          QB    LYS+  66 - HA    LEU  123   5.61 +/- 0.59   8.018% *  0.0807% (0.15   0.02   0.02) =   0.007%
          HG3   PRO   68 - HA    LEU  123  11.54 +/- 0.93   0.094% *  0.4828% (0.92   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LEU  123  12.81 +/- 0.37   0.048% *  0.4369% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  16.64 +/- 0.29   0.010% *  0.2752% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  19.50 +/- 0.35   0.004% *  0.4691% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  21.23 +/- 0.98   0.002% *  0.3798% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  19.42 +/- 0.65   0.004% *  0.2150% (0.41   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  18.51 +/- 0.46   0.005% *  0.1454% (0.28   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  17.72 +/- 0.33   0.007% *  0.0916% (0.18   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  23.27 +/- 0.73   0.001% *  0.4537% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  23.14 +/- 0.58   0.001% *  0.3593% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  32.23 +/- 0.78   0.000% *  0.3384% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  32.51 +/- 1.14   0.000% *  0.2961% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 203.6:
    *   T QD1   LEU  123 - HA    LEU  123   2.33 +/- 0.53  99.870% * 98.6989% (1.00   5.97 203.56) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  123   9.30 +/- 0.63   0.068% *  0.3052% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  123   9.71 +/- 0.62   0.047% *  0.1128% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.51 +/- 0.36   0.009% *  0.2762% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  15.25 +/- 1.38   0.003% *  0.2762% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  16.59 +/- 0.73   0.002% *  0.3307% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 4 structures by 0.04 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 203.6:
    *   T QD2   LEU  123 - HA    LEU  123   2.90 +/- 0.20  99.879% * 99.7128% (1.00   4.75 203.56) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.21 +/- 0.41   0.104% *  0.2042% (0.49   0.02   2.19) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.51 +/- 0.36   0.017% *  0.0830% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 2 structures by 0.02 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 203.6:
    * O T HA    LEU  123 - HB2   LEU  123   3.02 +/- 0.01  99.965% * 98.4126% (1.00   6.10 203.56) = 100.000%  kept
          HA    ILE   56 - HB2   LEU  123  14.90 +/- 0.36   0.007% *  0.3161% (0.98   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  13.57 +/- 0.31   0.012% *  0.1697% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  14.36 +/- 0.48   0.009% *  0.1210% (0.38   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  16.80 +/- 0.41   0.003% *  0.1697% (0.53   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HB2   LEU  123  18.59 +/- 0.37   0.002% *  0.2797% (0.87   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  23.94 +/- 0.57   0.000% *  0.3112% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  21.34 +/- 0.87   0.001% *  0.1100% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  25.76 +/- 1.86   0.000% *  0.1100% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 5.48, residual support = 203.6:
    * O T HG    LEU  123 - HB2   LEU  123   2.38 +/- 0.28  99.765% * 96.0746% (0.69   5.48 203.56) = 100.000%  kept
          QB    LYS+  66 - HB2   LEU  123   7.11 +/- 0.58   0.221% *  0.0787% (0.15   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  12.47 +/- 0.32   0.006% *  0.4262% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LEU  123  14.23 +/- 0.87   0.003% *  0.4710% (0.92   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  16.03 +/- 0.27   0.001% *  0.2684% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  19.45 +/- 0.38   0.000% *  0.4576% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  16.35 +/- 0.32   0.001% *  0.0894% (0.18   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  19.60 +/- 0.63   0.000% *  0.2098% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  22.46 +/- 0.75   0.000% *  0.4426% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  21.59 +/- 0.57   0.000% *  0.3505% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  22.87 +/- 0.87   0.000% *  0.3705% (0.73   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  19.71 +/- 0.54   0.000% *  0.1419% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  31.14 +/- 0.78   0.000% *  0.3301% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  32.27 +/- 1.15   0.000% *  0.2889% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 203.6:
    * O T QD1   LEU  123 - HB2   LEU  123   2.66 +/- 0.25  99.927% * 98.7100% (1.00   6.02 203.56) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123  10.96 +/- 0.54   0.023% *  0.3026% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  10.26 +/- 0.68   0.038% *  0.1118% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  13.04 +/- 0.34   0.008% *  0.2738% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  15.95 +/- 1.28   0.003% *  0.2738% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  18.04 +/- 0.71   0.001% *  0.3278% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 203.6:
    * O T QD2   LEU  123 - HB2   LEU  123   3.00 +/- 0.09  99.774% * 99.7189% (1.00   4.86 203.56) = 100.000%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.45 +/- 0.29   0.211% *  0.1998% (0.49   0.02   2.19) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  13.04 +/- 0.34   0.015% *  0.0812% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.34, residual support = 203.6:
    * O T HA    LEU  123 - HG    LEU  123   3.47 +/- 0.60  99.817% * 98.1906% (0.69   5.34 203.56) = 100.000%  kept
          HA    ILE   56 - HG    LEU  123  13.43 +/- 0.64   0.045% *  0.3603% (0.67   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  12.35 +/- 0.49   0.069% *  0.1380% (0.26   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU  123  13.43 +/- 0.88   0.048% *  0.1934% (0.36   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  16.75 +/- 0.55   0.010% *  0.1934% (0.36   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  18.75 +/- 0.49   0.005% *  0.3189% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  20.03 +/- 1.16   0.003% *  0.1254% (0.23   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  23.85 +/- 0.90   0.001% *  0.3547% (0.66   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  24.50 +/- 1.92   0.001% *  0.1254% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 5.48, residual support = 203.6:
    * O T HB2   LEU  123 - HG    LEU  123   2.38 +/- 0.28  99.881% * 97.5962% (0.69   5.48 203.56) = 100.000%  kept
          HB2   LYS+ 121 - HG    LEU  123   7.64 +/- 0.48   0.100% *  0.1099% (0.21   0.02   2.19) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  11.85 +/- 0.87   0.012% *  0.1214% (0.23   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  14.32 +/- 0.67   0.003% *  0.1464% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.46 +/- 1.03   0.001% *  0.3193% (0.62   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  16.59 +/- 0.87   0.001% *  0.1596% (0.31   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  20.07 +/- 0.58   0.000% *  0.3552% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  20.48 +/- 1.01   0.000% *  0.3287% (0.63   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  21.58 +/- 1.67   0.001% *  0.2016% (0.39   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  20.54 +/- 0.67   0.000% *  0.2303% (0.44   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  22.86 +/- 1.26   0.000% *  0.2851% (0.55   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  32.68 +/- 1.08   0.000% *  0.1464% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.24, residual support = 203.6:
    * O T HB3   LEU  123 - HG    LEU  123   2.73 +/- 0.03  99.991% * 98.6711% (0.69   5.24 203.56) = 100.000%  kept
          QB    ALA   57 - HG    LEU  123  13.86 +/- 0.39   0.006% *  0.3267% (0.60   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG    LEU  123  18.33 +/- 0.70   0.001% *  0.3378% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  19.65 +/- 0.89   0.001% *  0.2132% (0.39   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  22.80 +/- 1.25   0.000% *  0.3766% (0.69   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  20.74 +/- 0.91   0.001% *  0.0745% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.62, residual support = 203.6:
    * O T QD1   LEU  123 - HG    LEU  123   2.13 +/- 0.00  99.969% * 98.6184% (0.69   5.62 203.56) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123  10.51 +/- 0.71   0.008% *  0.3241% (0.63   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123   9.06 +/- 0.74   0.020% *  0.1198% (0.23   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.69 +/- 0.38   0.001% *  0.2933% (0.57   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  14.63 +/- 1.24   0.001% *  0.2933% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  17.26 +/- 0.91   0.000% *  0.3511% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 4.44, residual support = 203.6:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.01  99.987% * 99.6927% (0.69   4.44 203.56) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.63 +/- 0.46   0.012% *  0.2185% (0.33   0.02   2.19) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.69 +/- 0.38   0.001% *  0.0888% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 203.6:
    *   T HA    LEU  123 - QD1   LEU  123   2.33 +/- 0.53  99.880% * 98.3776% (1.00   5.97 203.56) = 100.000%  kept
          HA    ILE   56 - QD1   LEU  123  10.87 +/- 0.38   0.028% *  0.3231% (0.98   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123   9.81 +/- 0.46   0.053% *  0.1237% (0.38   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD1   LEU  123  11.59 +/- 0.56   0.025% *  0.1734% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  12.53 +/- 0.60   0.007% *  0.1734% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  14.24 +/- 0.59   0.003% *  0.2859% (0.87   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  15.36 +/- 0.77   0.002% *  0.1124% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  18.44 +/- 0.52   0.001% *  0.3181% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  19.16 +/- 1.68   0.001% *  0.1124% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.02 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 = 1.0, support = 6.02, residual support = 203.6:
    * O T HB2   LEU  123 - QD1   LEU  123   2.66 +/- 0.25  98.568% * 97.8068% (1.00   6.02 203.56) =  99.998%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.64 +/- 0.24   1.308% *  0.1003% (0.31   0.02   2.19) =   0.001%
          QD    LYS+  65 - QD1   LEU  123   9.16 +/- 0.57   0.073% *  0.1108% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  10.73 +/- 0.67   0.029% *  0.1335% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.57 +/- 0.65   0.004% *  0.2913% (0.90   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  13.14 +/- 0.67   0.008% *  0.1456% (0.45   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  16.12 +/- 0.92   0.003% *  0.2999% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  16.23 +/- 0.41   0.002% *  0.3241% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  15.80 +/- 0.69   0.003% *  0.2101% (0.65   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  16.78 +/- 1.00   0.002% *  0.1839% (0.57   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  18.43 +/- 0.92   0.001% *  0.2601% (0.80   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  26.21 +/- 0.87   0.000% *  0.1335% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 203.6:
    * O T HB3   LEU  123 - QD1   LEU  123   3.11 +/- 0.03  99.929% * 98.8106% (1.00   5.86 203.56) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.12 +/- 0.33   0.049% *  0.2924% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  15.22 +/- 0.47   0.007% *  0.3023% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  15.32 +/- 0.76   0.007% *  0.1908% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  17.68 +/- 1.05   0.003% *  0.3371% (1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  16.97 +/- 0.65   0.004% *  0.0667% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 1 structures by 0.06 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.62, residual support = 203.6:
    * O T HG    LEU  123 - QD1   LEU  123   2.13 +/- 0.00  94.326% * 96.1651% (0.69   5.62 203.56) =  99.995%  kept
          QB    LYS+  66 - QD1   LEU  123   3.66 +/- 0.53   5.643% *  0.0769% (0.15   0.02   0.02) =   0.005%
          HB3   ASP- 105 - QD1   LEU  123   9.52 +/- 0.31   0.012% *  0.4163% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   LEU  123   9.83 +/- 0.74   0.011% *  0.4601% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  12.72 +/- 0.24   0.002% *  0.2623% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  15.60 +/- 0.38   0.001% *  0.4470% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  12.23 +/- 0.36   0.003% *  0.0873% (0.18   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  16.84 +/- 0.70   0.000% *  0.4324% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  16.74 +/- 0.53   0.000% *  0.3424% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  15.38 +/- 0.57   0.001% *  0.2049% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  17.21 +/- 0.89   0.000% *  0.3620% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.65 +/- 0.57   0.001% *  0.1386% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  24.46 +/- 0.70   0.000% *  0.3225% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  25.14 +/- 0.98   0.000% *  0.2822% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 203.6:
    * O T QD2   LEU  123 - QD1   LEU  123   2.12 +/- 0.01  99.928% * 99.7224% (1.00   4.92 203.56) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.27 +/- 0.28   0.064% *  0.1974% (0.49   0.02   2.19) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  10.24 +/- 0.48   0.008% *  0.0802% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 203.6:
    *   T HA    LEU  123 - QD2   LEU  123   2.90 +/- 0.20  99.897% * 97.9715% (1.00   4.75 203.56) = 100.000%  kept
          HA    ILE   56 - QD2   LEU  123  12.07 +/- 0.38   0.021% *  0.4039% (0.98   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  10.45 +/- 0.49   0.050% *  0.1547% (0.38   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU  123  12.53 +/- 0.34   0.018% *  0.2168% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  14.79 +/- 0.46   0.006% *  0.2168% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  16.57 +/- 0.45   0.003% *  0.3575% (0.87   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  16.50 +/- 0.79   0.003% *  0.1406% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  20.66 +/- 0.48   0.001% *  0.3977% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  19.86 +/- 1.91   0.001% *  0.1406% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 203.6:
    * O T HB2   LEU  123 - QD2   LEU  123   3.00 +/- 0.09  99.549% * 97.2954% (1.00   4.86 203.56) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   8.05 +/- 0.25   0.281% *  0.1236% (0.31   0.02   2.19) =   0.000%
          QD    LYS+  65 - QD2   LEU  123   9.27 +/- 0.71   0.131% *  0.1366% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  12.65 +/- 0.55   0.019% *  0.1647% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  16.08 +/- 0.59   0.004% *  0.3592% (0.90   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  15.33 +/- 0.70   0.006% *  0.1796% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  17.84 +/- 0.37   0.002% *  0.3997% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  18.25 +/- 0.88   0.002% *  0.3698% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  17.95 +/- 0.65   0.002% *  0.2591% (0.65   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  18.56 +/- 1.17   0.002% *  0.2268% (0.57   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  20.40 +/- 1.00   0.001% *  0.3207% (0.80   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  28.41 +/- 0.86   0.000% *  0.1647% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.13 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 = 4.55, residual support = 203.6:
    * O T HB3   LEU  123 - QD2   LEU  123   2.07 +/- 0.06  99.996% * 98.4724% (1.00   4.55 203.56) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  11.89 +/- 0.37   0.003% *  0.3756% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.86 +/- 0.29   0.000% *  0.3883% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  17.11 +/- 0.85   0.000% *  0.2451% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  19.24 +/- 0.99   0.000% *  0.4330% (1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  17.63 +/- 0.71   0.000% *  0.0857% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.44, residual support = 203.6:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.01  98.534% * 95.1988% (0.69   4.44 203.56) =  99.998%  kept
          QB    LYS+  66 - QD2   LEU  123   4.55 +/- 0.57   1.451% *  0.0963% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD2   LEU  123  10.39 +/- 0.78   0.008% *  0.5761% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  12.10 +/- 0.30   0.003% *  0.5213% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  14.95 +/- 0.25   0.001% *  0.3283% (0.53   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  17.60 +/- 0.68   0.000% *  0.5413% (0.87   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  13.62 +/- 0.36   0.001% *  0.1093% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.14 +/- 0.34   0.000% *  0.5597% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  17.92 +/- 0.52   0.000% *  0.4287% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  18.91 +/- 0.88   0.000% *  0.4532% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.94 +/- 0.54   0.000% *  0.2566% (0.41   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  16.95 +/- 0.46   0.000% *  0.1735% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  26.19 +/- 0.81   0.000% *  0.4037% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  26.83 +/- 1.02   0.000% *  0.3533% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 203.6:
    * O T QD1   LEU  123 - QD2   LEU  123   2.12 +/- 0.01  99.945% * 98.4254% (1.00   4.92 203.56) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU  123   9.09 +/- 0.47   0.017% *  0.3694% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123   8.34 +/- 0.62   0.032% *  0.1365% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  12.50 +/- 1.09   0.003% *  0.3343% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  12.69 +/- 0.36   0.002% *  0.3343% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  14.71 +/- 0.58   0.001% *  0.4002% (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 = 9.44:
    * O T QB    ALA  124 - HA    ALA  124   2.12 +/- 0.02  99.657% * 84.4132% (1.00   1.00   9.44) = 100.000%  kept
          HG2   LYS+  38 - HA    ALA   34   6.68 +/- 0.71   0.225% *  0.0435% (0.03   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA   34   8.27 +/- 0.20   0.029% *  0.1265% (0.07   0.02   4.91) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   7.63 +/- 0.90   0.058% *  0.0603% (0.04   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34   9.74 +/- 1.29   0.016% *  0.1916% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.44 +/- 0.46   0.001% *  1.5141% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.34 +/- 0.59   0.008% *  0.0342% (0.02   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  20.34 +/- 0.85   0.000% *  1.6548% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.99 +/- 0.90   0.000% *  1.6293% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  17.75 +/- 0.58   0.000% *  0.5759% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  17.64 +/- 0.73   0.000% *  0.5211% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  15.30 +/- 0.62   0.001% *  0.1887% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  15.77 +/- 0.51   0.001% *  0.1753% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  20.91 +/- 0.60   0.000% *  0.9558% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.74 +/- 0.42   0.000% *  1.5141% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  19.86 +/- 0.50   0.000% *  0.4210% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  14.15 +/- 1.34   0.001% *  0.0387% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  21.27 +/- 1.34   0.000% *  0.3341% (0.20   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  20.04 +/- 1.03   0.000% *  0.1955% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.21 +/- 0.63   0.000% *  0.0667% (0.04   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  29.74 +/- 0.60   0.000% *  1.5585% (0.92   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  28.33 +/- 0.66   0.000% *  1.0921% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  23.93 +/- 0.82   0.000% *  0.3759% (0.22   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  21.54 +/- 0.27   0.000% *  0.1804% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.00 +/- 0.76   0.000% *  0.1753% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  21.60 +/- 0.56   0.000% *  0.1565% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  24.32 +/- 0.91   0.000% *  0.2957% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  34.73 +/- 0.95   0.000% *  1.3519% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  25.75 +/- 0.87   0.000% *  0.1107% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  28.36 +/- 0.51   0.000% *  0.0487% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1629 (1.35, 1.35, 61.60 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 61.60 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.44:
    * O T HA    ALA  124 - QB    ALA  124   2.12 +/- 0.02  99.995% * 92.6901% (1.00   1.00   9.44) = 100.000%  kept
          HA    LEU  115 - QB    ALA  124  11.35 +/- 0.63   0.005% *  0.9023% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  20.38 +/- 0.44   0.000% *  1.8171% (0.98   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA  124  20.04 +/- 1.03   0.000% *  0.6323% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  23.93 +/- 0.91   0.000% *  1.1992% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  19.94 +/- 0.85   0.000% *  0.3669% (0.20   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  25.27 +/- 0.96   0.000% *  0.9753% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  31.42 +/- 1.10   0.000% *  1.4167% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 6.03, residual support = 203.6:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 98.8432% (1.00   6.03 203.56) = 100.000%  kept
          QB    ALA   57 - HB2   LEU  123  15.41 +/- 0.34   0.000% *  0.2844% (0.87   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LEU  123  18.35 +/- 0.34   0.000% *  0.2940% (0.90   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  21.09 +/- 0.83   0.000% *  0.1856% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  23.49 +/- 1.11   0.000% *  0.3279% (1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  22.58 +/- 0.80   0.000% *  0.0649% (0.20   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 = 6.03, residual support = 203.6:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.991% * 97.7984% (0.99   6.03 203.56) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   8.46 +/- 0.25   0.008% *  0.1228% (0.38   0.02   2.19) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  13.30 +/- 0.80   0.001% *  0.1346% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  14.51 +/- 0.54   0.000% *  0.1116% (0.34   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  19.20 +/- 0.71   0.000% *  0.2734% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  17.59 +/- 0.90   0.000% *  0.1228% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  20.76 +/- 1.09   0.000% *  0.3159% (0.97   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  22.50 +/- 0.37   0.000% *  0.3266% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  21.72 +/- 1.22   0.000% *  0.2117% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  22.40 +/- 0.69   0.000% *  0.1853% (0.57   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  25.11 +/- 1.18   0.000% *  0.2377% (0.73   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  34.82 +/- 1.08   0.000% *  0.1593% (0.49   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 = 5.86, residual support = 203.6:
    * O T QD1   LEU  123 - HB3   LEU  123   3.11 +/- 0.03  99.878% * 98.6754% (1.00   5.86 203.56) = 100.000%  kept
          QG1   VAL   70 - HB3   LEU  123  11.22 +/- 0.55   0.048% *  0.3108% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  11.04 +/- 0.67   0.055% *  0.1148% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  14.18 +/- 0.34   0.011% *  0.2812% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  16.38 +/- 1.31   0.005% *  0.2812% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  18.37 +/- 0.70   0.002% *  0.3366% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 203.6:
    * O T QD2   LEU  123 - HB3   LEU  123   2.07 +/- 0.06  99.991% * 99.6999% (1.00   4.55 203.56) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.94 +/- 0.31   0.008% *  0.2134% (0.49   0.02   2.19) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  14.18 +/- 0.34   0.001% *  0.0868% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.24, residual support = 203.6:
    * O T HG    LEU  123 - HB3   LEU  123   2.73 +/- 0.03  99.581% * 95.9001% (0.69   5.24 203.56) = 100.000%  kept
          QB    LYS+  66 - HB3   LEU  123   6.99 +/- 0.57   0.401% *  0.0822% (0.15   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HB3   LEU  123  13.64 +/- 0.93   0.007% *  0.4919% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  13.93 +/- 0.32   0.006% *  0.4451% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  17.43 +/- 0.26   0.001% *  0.2804% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  20.86 +/- 0.36   0.001% *  0.4779% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  17.54 +/- 0.37   0.001% *  0.0933% (0.18   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  23.14 +/- 0.77   0.000% *  0.4623% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  22.75 +/- 0.59   0.000% *  0.3661% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  20.93 +/- 0.63   0.000% *  0.2191% (0.41   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  23.24 +/- 0.94   0.000% *  0.3870% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  20.54 +/- 0.48   0.001% *  0.1482% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  32.45 +/- 0.84   0.000% *  0.3447% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  33.27 +/- 1.16   0.000% *  0.3017% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.83, residual support = 203.6:
    * O T HA    LEU  123 - HB3   LEU  123   2.50 +/- 0.04  99.992% * 98.3401% (1.00   5.83 203.56) = 100.000%  kept
          HA    ILE   56 - HB3   LEU  123  15.94 +/- 0.40   0.002% *  0.3305% (0.98   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   LEU  123  15.01 +/- 0.32   0.002% *  0.1774% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  14.79 +/- 0.52   0.002% *  0.1266% (0.38   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  17.53 +/- 0.41   0.001% *  0.1774% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  19.42 +/- 0.38   0.000% *  0.2925% (0.87   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  24.63 +/- 0.57   0.000% *  0.3254% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  21.24 +/- 0.90   0.000% *  0.1150% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  25.33 +/- 2.04   0.000% *  0.1150% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 1.0, support = 5.21, residual support = 314.6:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  95.577% * 98.2141% (1.00   5.21 314.58) =  99.995%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.35 +/- 0.59   4.410% *  0.1164% (0.31   0.02 314.58) =   0.005%
          HG    LEU  104 - HD3   LYS+ 121   9.04 +/- 1.54   0.009% *  0.1164% (0.31   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  12.47 +/- 0.82   0.001% *  0.3021% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  11.52 +/- 1.86   0.002% *  0.0661% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  12.27 +/- 1.18   0.001% *  0.0840% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.91 +/- 0.80   0.000% *  0.3739% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  19.53 +/- 0.87   0.000% *  0.2883% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  22.39 +/- 0.90   0.000% *  0.3641% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  20.05 +/- 0.95   0.000% *  0.0747% (0.20   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 = 314.6:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.88 +/- 0.21  99.638% * 99.1172% (1.00   6.28 314.58) =  99.999%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.52 +/- 1.14   0.238% *  0.2913% (0.92   0.02   0.02) =   0.001%
          HG13  ILE  119 - HD3   LYS+ 121   9.55 +/- 0.66   0.092% *  0.0974% (0.31   0.02   0.86) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  11.59 +/- 0.99   0.030% *  0.1536% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  20.33 +/- 0.72   0.001% *  0.2527% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  20.75 +/- 1.42   0.001% *  0.0877% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 314.6:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.53 +/- 0.26  99.934% * 99.4488% (1.00   5.98 314.58) = 100.000%  kept
          QD2   LEU  123 - HD3   LYS+ 121  10.01 +/- 0.50   0.036% *  0.1619% (0.49   0.02   2.19) =   0.000%
        T QD1   ILE   56 - HD3   LYS+ 121  10.66 +/- 0.87   0.027% *  0.2018% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  15.75 +/- 0.95   0.002% *  0.1135% (0.34   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  20.45 +/- 1.62   0.000% *  0.0741% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.69 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 = 7.07, residual support = 314.6:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   2.87 +/- 0.47  99.802% * 98.5374% (1.00   7.07 314.58) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   9.09 +/- 0.59   0.146% *  0.0861% (0.31   0.02   2.19) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  12.63 +/- 1.44   0.030% *  0.1467% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  17.12 +/- 1.59   0.004% *  0.2501% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  17.52 +/- 0.69   0.003% *  0.2783% (1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  14.21 +/- 1.26   0.009% *  0.0776% (0.28   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  16.41 +/- 0.69   0.004% *  0.0861% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  19.11 +/- 0.94   0.001% *  0.1692% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.90 +/- 0.98   0.002% *  0.0951% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  28.20 +/- 1.77   0.000% *  0.2734% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 314.6:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.37 +/- 0.15  99.804% * 99.2823% (1.00   5.88 314.58) =  99.999%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.50 +/- 0.93   0.196% *  0.2821% (0.84   0.02  48.27) =   0.001%
          HG2   GLN   30 - HD3   LYS+ 121  23.95 +/- 1.34   0.000% *  0.2320% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  25.71 +/- 1.26   0.000% *  0.1514% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  27.53 +/- 0.95   0.000% *  0.0521% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 1.0, support = 6.65, residual support = 314.4:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.15 +/- 0.36  85.762% * 98.2374% (1.00   6.65 314.58) =  99.959%  kept
          QB    SER  117 - HD3   LYS+ 121   6.57 +/- 1.52  12.396% *  0.2466% (0.84   0.02   0.02) =   0.036%
          HA    ALA  120 - HD3   LYS+ 121   8.09 +/- 0.56   1.626% *  0.2257% (0.76   0.02   2.35) =   0.004%
          HA    PHE   60 - HD3   LYS+ 121  12.45 +/- 0.70   0.145% *  0.0821% (0.28   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  15.67 +/- 0.85   0.037% *  0.2927% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 121  17.08 +/- 0.89   0.021% *  0.1007% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  20.05 +/- 1.38   0.008% *  0.1214% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.89 +/- 0.89   0.002% *  0.2793% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  25.78 +/- 1.04   0.002% *  0.2927% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  29.64 +/- 1.16   0.001% *  0.1214% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.78, residual support = 314.6:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.86 +/- 0.16  99.477% * 99.2857% (0.84   7.78 314.58) =  99.999%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.46 +/- 0.39   0.160% *  0.2357% (0.77   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   7.40 +/- 0.16   0.345% *  0.0788% (0.26   0.02   0.86) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  12.64 +/- 0.54   0.015% *  0.1243% (0.41   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  19.30 +/- 0.52   0.001% *  0.2045% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  20.92 +/- 0.70   0.001% *  0.0710% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 7.1, residual support = 314.6:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.36 +/- 0.11  99.909% * 99.5356% (0.84   7.10 314.58) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.12 +/- 0.26   0.066% *  0.1364% (0.41   0.02   2.19) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121   9.64 +/- 0.26   0.023% *  0.1700% (0.51   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  15.17 +/- 0.54   0.002% *  0.0956% (0.28   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  20.48 +/- 1.18   0.000% *  0.0624% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 8.93, residual support = 314.6:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.973% * 98.8390% (0.84   8.93 314.58) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   7.01 +/- 0.32   0.026% *  0.0683% (0.26   0.02   2.19) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  14.11 +/- 1.30   0.000% *  0.1165% (0.44   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  15.56 +/- 0.49   0.000% *  0.2209% (0.83   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  17.57 +/- 0.99   0.000% *  0.1986% (0.75   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  14.53 +/- 0.98   0.000% *  0.0616% (0.23   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.04 +/- 0.22   0.000% *  0.0683% (0.26   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  18.09 +/- 0.56   0.000% *  0.1343% (0.51   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  18.22 +/- 0.38   0.000% *  0.0755% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  28.37 +/- 1.37   0.000% *  0.2170% (0.82   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 0.819, support = 6.84, residual support = 284.0:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.94 +/- 0.42  82.587% * 61.7718% (0.84   7.05 314.58) =  88.521%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.26 +/- 0.54  17.409% * 38.0023% (0.70   5.19  48.27) =  11.479%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  23.38 +/- 0.82   0.002% *  0.1203% (0.57   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  25.76 +/- 0.66   0.001% *  0.0785% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  26.95 +/- 0.71   0.001% *  0.0270% (0.13   0.02   0.02) =   0.000%
    Distance limit 5.02 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 = 0.835, support = 8.29, residual support = 314.6:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.85 +/- 0.10  97.929% * 98.5804% (0.84   8.29 314.58) =  99.996%  kept
          HA    ALA  120 - HB3   LYS+ 121   5.97 +/- 0.28   1.178% *  0.1817% (0.64   0.02   2.35) =   0.002%
          QB    SER  117 - HB3   LYS+ 121   6.55 +/- 0.83   0.845% *  0.1986% (0.70   0.02   0.02) =   0.002%
          HA    PHE   60 - HB3   LYS+ 121  10.70 +/- 0.39   0.038% *  0.0661% (0.23   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  15.67 +/- 0.26   0.004% *  0.2357% (0.83   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB3   LYS+ 121  15.04 +/- 0.56   0.005% *  0.0811% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  18.32 +/- 1.01   0.002% *  0.0978% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  24.08 +/- 0.62   0.000% *  0.2250% (0.79   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.66 +/- 0.38   0.000% *  0.2357% (0.83   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  29.65 +/- 0.67   0.000% *  0.0978% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.815, support = 8.79, residual support = 314.6:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  84.738% * 59.8811% (0.84   8.93 314.58) =  89.410%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.54 +/- 0.54  15.256% * 39.3938% (0.65   7.58 314.58) =  10.590%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.53 +/- 0.81   0.002% *  0.1550% (0.97   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  10.37 +/- 0.73   0.002% *  0.1341% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  11.72 +/- 0.41   0.001% *  0.1166% (0.73   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.93 +/- 0.77   0.000% *  0.0909% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.94 +/- 0.64   0.000% *  0.1103% (0.69   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  18.55 +/- 0.59   0.000% *  0.0400% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  22.17 +/- 0.59   0.000% *  0.0782% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 0.794, support = 7.98, residual support = 309.2:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.85 +/- 0.10  49.367% * 58.5377% (0.84   8.29 314.58) =  83.874%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.73 +/- 0.51  12.719% * 39.0567% (0.65   7.14 314.58) =  14.417%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.07 +/- 0.48  37.147% *  1.5845% (0.04   5.27 160.53) =   1.708%
        T QD    LYS+  66 - HA    LYS+  65   5.94 +/- 0.57   0.704% *  0.0102% (0.06   0.02  26.46) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  10.50 +/- 0.88   0.024% *  0.1632% (0.97   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.37 +/- 0.47   0.013% *  0.1412% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.06 +/- 0.34   0.003% *  0.1228% (0.73   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.00 +/- 0.72   0.001% *  0.0957% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.32 +/- 0.61   0.000% *  0.1161% (0.69   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.63 +/- 0.58   0.004% *  0.0073% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  11.76 +/- 0.36   0.010% *  0.0026% (0.02   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.04 +/- 0.56   0.002% *  0.0089% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  20.75 +/- 0.40   0.000% *  0.0422% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  23.85 +/- 0.40   0.000% *  0.0823% (0.49   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  16.87 +/- 0.56   0.001% *  0.0089% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.97 +/- 0.47   0.002% *  0.0052% (0.03   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.07 +/- 1.38   0.001% *  0.0069% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.51 +/- 0.45   0.000% *  0.0077% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.932, support = 6.56, residual support = 304.0:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.15 +/- 0.36  11.602% * 97.0570% (1.00   6.65 314.58) =  93.110%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   2.55 +/- 0.62  87.173% *  0.9557% (0.01   5.27 160.53) =   6.889%  kept
          QB    ALA   61 - HA    LYS+  65   6.23 +/- 0.21   0.718% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.87 +/- 0.50   0.388% *  0.0036% (0.01   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.18 +/- 0.30   0.005% *  0.2531% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  11.99 +/- 0.45   0.013% *  0.0577% (0.20   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  15.30 +/- 0.23   0.003% *  0.1535% (0.53   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.81 +/- 0.49   0.007% *  0.0577% (0.20   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  14.39 +/- 0.26   0.004% *  0.0900% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.00 +/- 0.56   0.023% *  0.0111% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.05 +/- 0.43   0.008% *  0.0183% (0.06   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65   9.96 +/- 0.35   0.037% *  0.0036% (0.01   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.37 +/- 0.38   0.000% *  0.2911% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.35 +/- 0.62   0.002% *  0.0577% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  22.68 +/- 0.55   0.000% *  0.1769% (0.61   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.32 +/- 1.13   0.004% *  0.0111% (0.04   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.38 +/- 0.25   0.002% *  0.0159% (0.05   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.08 +/- 0.89   0.002% *  0.0183% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.19 +/- 0.77   0.001% *  0.0450% (0.15   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.38 +/- 1.45   0.000% *  0.1769% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  16.30 +/- 0.28   0.002% *  0.0096% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  30.66 +/- 1.11   0.000% *  0.2815% (0.97   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  24.73 +/- 1.61   0.000% *  0.0727% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.38 +/- 0.55   0.005% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  30.30 +/- 1.41   0.000% *  0.1420% (0.49   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.52 +/- 1.26   0.001% *  0.0046% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  26.88 +/- 0.46   0.000% *  0.0177% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  26.22 +/- 1.04   0.000% *  0.0089% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 26.01 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 26.66 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 232.3:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.814% * 98.6187% (1.00   6.13 232.31) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.59 +/- 0.52   0.117% *  0.0994% (0.31   0.02  17.69) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   6.27 +/- 0.73   0.060% *  0.0302% (0.09   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   9.46 +/- 0.29   0.004% *  0.3212% (1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  13.15 +/- 0.50   0.001% *  0.2578% (0.80   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.56 +/- 0.77   0.000% *  0.1694% (0.53   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.24 +/- 0.36   0.001% *  0.0895% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  11.32 +/- 1.02   0.002% *  0.0169% (0.05   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  11.33 +/- 0.84   0.002% *  0.0142% (0.04   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.85 +/- 1.59   0.001% *  0.0199% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  18.38 +/- 0.53   0.000% *  0.1443% (0.45   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.02 +/- 0.48   0.000% *  0.1208% (0.38   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  17.17 +/- 0.55   0.000% *  0.0378% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  16.28 +/- 1.20   0.000% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.56 +/- 0.72   0.000% *  0.0377% (0.12   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.64 +/- 0.68   0.000% *  0.0105% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.76 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 = 6.96, residual support = 235.4:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.996% * 97.6908% (1.00   6.96 235.38) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  10.45 +/- 0.86   0.003% *  0.1367% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  17.41 +/- 0.53   0.000% *  0.2752% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  18.15 +/- 0.74   0.000% *  0.2656% (0.95   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  14.75 +/- 0.63   0.000% *  0.0700% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  19.05 +/- 1.07   0.000% *  0.2656% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  15.20 +/- 1.11   0.000% *  0.0433% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  21.86 +/- 0.68   0.000% *  0.2752% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  20.20 +/- 0.72   0.000% *  0.1259% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.41 +/- 0.41   0.000% *  0.0781% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.79 +/- 1.58   0.000% *  0.0958% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  27.21 +/- 1.18   0.000% *  0.2783% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  31.21 +/- 1.29   0.000% *  0.2518% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  29.84 +/- 1.73   0.000% *  0.1477% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 0.909, support = 4.47, residual support = 235.4:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  83.013% * 50.6172% (0.95   4.28 235.38) =  83.534%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   2.55 +/- 0.62  16.974% * 48.7973% (0.72   5.40 235.38) =  16.466%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.60 +/- 1.23   0.013% *  0.0888% (0.36   0.02  25.73) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  12.32 +/- 0.94   0.001% *  0.1894% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  24.58 +/- 0.94   0.000% *  0.2344% (0.94   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  23.10 +/- 1.44   0.000% *  0.0730% (0.29   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 = 1.0, support = 6.47, residual support = 312.2:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  88.942% * 98.0555% (1.00   6.48 312.26) =  99.978%  kept
          QB    GLU- 114 - HB3   LYS+ 111   2.73 +/- 0.45  11.055% *  0.1715% (0.57   0.02   2.17) =   0.022%
          HB    ILE  119 - HB3   LYS+ 111  10.22 +/- 0.43   0.002% *  0.0674% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  23.25 +/- 0.60   0.000% *  0.3002% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  23.95 +/- 1.03   0.000% *  0.3002% (0.99   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  21.36 +/- 0.57   0.000% *  0.1474% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  24.09 +/- 0.68   0.000% *  0.2627% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  23.76 +/- 0.53   0.000% *  0.1245% (0.41   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  25.41 +/- 0.75   0.000% *  0.1474% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  28.19 +/- 0.93   0.000% *  0.2716% (0.90   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  24.68 +/- 0.71   0.000% *  0.0842% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  24.13 +/- 0.68   0.000% *  0.0674% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 63.87 ppm):
    1 diagonal assignment:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
 
    Peak 1745 (1.15, 1.15, 62.58 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 54.4:
    * O T QG1   VAL  107 - HA    VAL  107   2.41 +/- 0.15  99.975% * 98.7524% (1.00   3.63  54.44) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  12.58 +/- 0.90   0.006% *  0.3948% (0.73   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  11.45 +/- 0.52   0.009% *  0.0839% (0.15   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  12.02 +/- 0.51   0.007% *  0.0839% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  16.63 +/- 1.33   0.001% *  0.4542% (0.84   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    VAL  107  16.56 +/- 0.69   0.001% *  0.1356% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.29 +/- 0.53   0.000% *  0.0952% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 3.51, residual support = 54.4:
    * O T QG2   VAL  107 - HA    VAL  107   2.39 +/- 0.23  99.943% * 98.5915% (1.00   3.51  54.44) = 100.000%  kept
          HG13  ILE  103 - HA    VAL  107   9.28 +/- 0.18   0.036% *  0.4083% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    VAL  107  11.25 +/- 0.37   0.011% *  0.5190% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  11.45 +/- 0.52   0.009% *  0.0868% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.17 +/- 0.36   0.001% *  0.3183% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.29 +/- 0.53   0.000% *  0.0761% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.989, support = 3.11, residual support = 37.7:
    * O T HB3   ASP- 105 - HA    ASP- 105   3.00 +/- 0.09  91.224% * 43.6445% (1.00   3.00  39.27) =  91.568%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.64 +/- 0.05   6.762% * 54.1556% (0.87   4.29  20.35) =   8.422%  kept
          HB    ILE  103 - HA    ASP- 105   6.07 +/- 0.20   1.381% *  0.2884% (0.99   0.02   6.52) =   0.009%
          HG12  ILE  103 - HA    ASP- 105   6.97 +/- 0.26   0.609% *  0.0449% (0.15   0.02   6.52) =   0.001%
          HG    LEU  123 - HA    ASP- 105  14.42 +/- 0.43   0.008% *  0.0993% (0.34   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.30 +/- 0.24   0.005% *  0.1304% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  18.09 +/- 0.52   0.002% *  0.2852% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  15.59 +/- 0.86   0.005% *  0.0898% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  19.26 +/- 0.49   0.001% *  0.2852% (0.98   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.50 +/- 0.42   0.000% *  0.2903% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  19.89 +/- 0.67   0.001% *  0.0993% (0.34   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  24.64 +/- 0.41   0.000% *  0.2752% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.69 +/- 0.33   0.002% *  0.0510% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  25.59 +/- 1.12   0.000% *  0.2609% (0.90   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.0, residual support = 39.3:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.972% * 97.0915% (0.95   3.00  39.27) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   7.30 +/- 0.40   0.020% *  0.4150% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   9.16 +/- 0.28   0.005% *  0.1198% (0.18   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  10.84 +/- 0.44   0.002% *  0.1523% (0.22   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  13.88 +/- 0.45   0.000% *  0.6707% (0.98   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  17.43 +/- 1.24   0.000% *  0.4150% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  20.60 +/- 0.78   0.000% *  0.6827% (1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  17.31 +/- 0.57   0.000% *  0.1198% (0.18   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  21.64 +/- 0.48   0.000% *  0.3331% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 0.822, support = 4.95, residual support = 140.4:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 64.4095% (1.00   4.80 131.31) =  65.360%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 34.1367% (0.49   5.24 157.63) =  34.640%  kept
          HG2   LYS+ 106 - HG3   LYS+ 102  11.13 +/- 1.35   0.001% *  0.0489% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 106  11.15 +/- 0.66   0.001% *  0.0414% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  12.88 +/- 1.32   0.000% *  0.0197% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  18.02 +/- 1.38   0.000% *  0.0861% (0.32   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  21.23 +/- 1.64   0.000% *  0.2051% (0.76   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  22.96 +/- 1.30   0.000% *  0.2660% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  22.38 +/- 1.26   0.000% *  0.1706% (0.64   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  18.38 +/- 0.43   0.000% *  0.0470% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  18.90 +/- 1.63   0.000% *  0.0374% (0.14   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  23.85 +/- 0.75   0.000% *  0.1691% (0.63   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  22.49 +/- 0.55   0.000% *  0.1127% (0.42   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  18.56 +/- 0.73   0.000% *  0.0299% (0.11   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  24.19 +/- 1.28   0.000% *  0.1117% (0.42   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.46 +/- 0.65   0.000% *  0.0174% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  28.20 +/- 1.24   0.000% *  0.0485% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  21.49 +/- 1.30   0.000% *  0.0075% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  27.76 +/- 1.27   0.000% *  0.0263% (0.10   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  24.50 +/- 0.88   0.000% *  0.0086% (0.03   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 = 0.801, support = 4.3, residual support = 137.7:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.955% * 96.7469% (0.80   4.30 137.73) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.72 +/- 0.22   0.032% *  0.4076% (0.73   0.02  22.37) =   0.000%
          HB    VAL   41 - HG13  ILE  103   9.18 +/- 1.69   0.012% *  0.5182% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  13.57 +/- 0.57   0.000% *  0.3178% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  16.27 +/- 0.50   0.000% *  0.5601% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.59 +/- 0.29   0.000% *  0.5182% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.89 +/- 0.44   0.000% *  0.3405% (0.61   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  19.56 +/- 0.51   0.000% *  0.2953% (0.53   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  21.17 +/- 0.94   0.000% *  0.2953% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 5.52, residual support = 176.3:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.985% * 98.1270% (0.80   5.52 176.28) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   7.82 +/- 0.35   0.013% *  0.2335% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  12.37 +/- 1.28   0.001% *  0.1990% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  15.31 +/- 0.73   0.000% *  0.3980% (0.90   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  18.17 +/- 0.87   0.000% *  0.3049% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  15.31 +/- 0.55   0.000% *  0.1107% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.59 +/- 1.38   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  19.57 +/- 0.49   0.000% *  0.3049% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.18 +/- 0.35   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  21.41 +/- 0.81   0.000% *  0.1666% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 5.1, residual support = 213.0:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00 100.000% * 98.7347% (1.00   5.10 213.00) = 100.000%  kept
          HG3   LYS+ 111 - HG13  ILE   89  17.08 +/- 1.24   0.000% *  0.3835% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  15.30 +/- 1.28   0.000% *  0.1734% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  22.35 +/- 1.32   0.000% *  0.1194% (0.31   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  24.50 +/- 1.64   0.000% *  0.1883% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  24.17 +/- 1.22   0.000% *  0.1452% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  23.19 +/- 1.25   0.000% *  0.0965% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  27.05 +/- 0.70   0.000% *  0.1590% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 50.60 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 57.72 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 57.72 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 23.2:
    * O T HA    ALA   57 - QB    ALA   57   2.14 +/- 0.01  99.937% * 97.3811% (1.00   2.81  23.21) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.31 +/- 0.14   0.029% *  0.6014% (0.87   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   8.43 +/- 0.30   0.027% *  0.1214% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  14.12 +/- 0.79   0.001% *  0.4763% (0.69   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  11.93 +/- 0.48   0.003% *  0.1544% (0.22   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.92 +/- 0.23   0.001% *  0.2602% (0.38   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  19.80 +/- 0.47   0.000% *  0.5299% (0.76   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.25 +/- 0.30   0.000% *  0.2140% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  19.05 +/- 0.45   0.000% *  0.1544% (0.22   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  24.65 +/- 1.96   0.000% *  0.1070% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 56.43 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 9.27:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 96.3542% (1.00   2.81   9.27) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51  10.37 +/- 0.19   0.002% *  0.5951% (0.87   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  12.33 +/- 0.61   0.001% *  0.3339% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  15.75 +/- 0.60   0.000% *  0.6490% (0.95   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  14.88 +/- 0.36   0.000% *  0.2820% (0.41   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  18.00 +/- 1.01   0.000% *  0.3339% (0.49   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.97 +/- 0.35   0.000% *  0.4161% (0.61   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  31.01 +/- 0.34   0.000% *  0.6725% (0.98   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  23.29 +/- 0.51   0.000% *  0.1059% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  36.90 +/- 2.59   0.000% *  0.2575% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 65.6:
    * O   QG2   VAL   24 - QG1   VAL   24   2.05 +/- 0.05  99.999% * 98.6696% (1.00   2.70  65.58) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  14.08 +/- 1.15   0.001% *  0.1822% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  18.52 +/- 1.34   0.000% *  0.7051% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  21.01 +/- 1.42   0.000% *  0.4431% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 31.51 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 58.05 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.38, residual support = 157.9:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.983% * 99.1373% (1.00   6.38 157.94) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.10 +/- 0.92   0.015% *  0.2871% (0.92   0.02   6.85) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  11.87 +/- 1.36   0.001% *  0.0429% (0.14   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  22.20 +/- 1.29   0.000% *  0.2136% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  15.04 +/- 0.48   0.000% *  0.0213% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  21.12 +/- 1.11   0.000% *  0.1061% (0.34   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  17.16 +/- 1.07   0.000% *  0.0166% (0.05   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  20.16 +/- 0.84   0.000% *  0.0242% (0.08   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  17.22 +/- 0.36   0.000% *  0.0083% (0.03   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  21.73 +/- 0.86   0.000% *  0.0224% (0.07   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  27.06 +/- 0.75   0.000% *  0.0625% (0.20   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.08 +/- 0.72   0.000% *  0.0577% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 1.0, support = 4.62, residual support = 157.6:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.75 +/- 0.37  85.386% * 96.1399% (1.00   4.62 157.63) =  99.977%  kept
          HB2   ASP-  78 - QG    LYS+  81   3.93 +/- 0.37  13.840% *  0.1289% (0.31   0.02   0.18) =   0.022%
          HB2   ASN   35 - HG2   LYS+  33   7.81 +/- 0.70   0.230% *  0.1419% (0.34   0.02   0.37) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   7.02 +/- 0.43   0.399% *  0.0443% (0.11   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   8.82 +/- 0.51   0.092% *  0.1368% (0.33   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.72 +/- 0.56   0.030% *  0.4078% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  13.07 +/- 1.41   0.012% *  0.0642% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  17.27 +/- 1.53   0.002% *  0.3731% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  16.20 +/- 0.43   0.002% *  0.1952% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.74 +/- 1.12   0.001% *  0.2523% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  20.77 +/- 1.07   0.001% *  0.2473% (0.59   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  17.88 +/- 1.27   0.002% *  0.0861% (0.21   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  21.67 +/- 0.74   0.000% *  0.2263% (0.54   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  21.99 +/- 1.28   0.000% *  0.1786% (0.43   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  21.83 +/- 1.10   0.000% *  0.1992% (0.48   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  19.28 +/- 0.95   0.001% *  0.0926% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.71 +/- 1.06   0.000% *  0.2691% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  23.88 +/- 1.91   0.000% *  0.1733% (0.42   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  23.76 +/- 0.48   0.000% *  0.1632% (0.39   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  28.25 +/- 0.77   0.000% *  0.2858% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  21.79 +/- 0.54   0.000% *  0.0562% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  21.07 +/- 0.65   0.001% *  0.0389% (0.09   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  23.67 +/- 0.69   0.000% *  0.0679% (0.16   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  29.33 +/- 0.55   0.000% *  0.0307% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 5.7, residual support = 157.6:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.25 +/- 0.10  99.996% * 98.8334% (1.00   5.70 157.63) = 100.000%  kept
          HG    LEU  104 - QB    LYS+  33  13.55 +/- 0.85   0.002% *  0.1302% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  15.60 +/- 0.43   0.001% *  0.1825% (0.53   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  19.18 +/- 0.82   0.000% *  0.2651% (0.76   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+  33  20.53 +/- 0.41   0.000% *  0.2897% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  19.76 +/- 0.94   0.000% *  0.1302% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  23.84 +/- 0.69   0.000% *  0.1688% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.999, support = 4.57, residual support = 214.2:
    *     QE    LYS+  38 - HA    LYS+  38   4.60 +/- 0.17  47.706% * 98.9469% (1.00   4.58 214.56) =  99.857%  kept
          QE    LYS+  99 - HA    LYS+  38   5.83 +/- 0.70  14.661% *  0.3876% (0.90   0.02   0.02) =   0.120%
          QE    LYS+  38 - HA    GLU- 100   5.77 +/- 1.93  27.379% *  0.0261% (0.06   0.02   0.02) =   0.015%
          QE    LYS+  99 - HA    GLU- 100   6.17 +/- 0.46   8.415% *  0.0234% (0.05   0.02  40.05) =   0.004%
          QE    LYS+ 102 - HA    LYS+  38  11.24 +/- 1.68   0.278% *  0.3990% (0.92   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HA    GLU- 100   8.41 +/- 0.37   1.263% *  0.0241% (0.06   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    LYS+  38  13.03 +/- 0.69   0.093% *  0.0855% (0.20   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    LYS+  38  15.79 +/- 0.54   0.029% *  0.0962% (0.22   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.94 +/- 0.19   0.155% *  0.0052% (0.01   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  16.92 +/- 0.77   0.020% *  0.0058% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.906, support = 4.7, residual support = 159.3:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.62 +/- 0.56  57.169% * 49.6032% (1.00   4.28 160.53) =  58.361%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.79 +/- 0.53  42.694% * 47.3890% (0.77   5.28 157.63) =  41.639%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.31 +/- 0.50   0.113% *  0.1213% (0.52   0.02   0.37) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  11.07 +/- 1.11   0.011% *  0.1930% (0.83   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.56 +/- 1.38   0.007% *  0.1143% (0.49   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  15.93 +/- 1.70   0.001% *  0.2077% (0.90   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.57 +/- 1.42   0.001% *  0.1690% (0.73   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.07 +/- 1.70   0.001% *  0.2000% (0.86   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.90 +/- 1.43   0.000% *  0.1819% (0.79   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  17.11 +/- 0.84   0.001% *  0.0589% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.94 +/- 1.12   0.000% *  0.0872% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  23.35 +/- 0.88   0.000% *  0.2235% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.43 +/- 0.74   0.000% *  0.0938% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.89 +/- 0.66   0.000% *  0.0972% (0.42   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.11 +/- 0.92   0.000% *  0.1405% (0.61   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.75 +/- 0.83   0.000% *  0.1885% (0.81   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  23.21 +/- 1.49   0.000% *  0.0869% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  24.50 +/- 1.81   0.000% *  0.0897% (0.39   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  29.37 +/- 1.95   0.000% *  0.1740% (0.75   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  28.86 +/- 1.19   0.000% *  0.1846% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  24.69 +/- 0.69   0.000% *  0.0751% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  23.91 +/- 0.45   0.000% *  0.0365% (0.16   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  32.88 +/- 1.06   0.000% *  0.2138% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  30.12 +/- 0.91   0.000% *  0.0707% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.02, residual support = 83.7:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.50 +/- 0.04  99.986% * 16.9500% (1.00   0.02  83.75) =  99.996%  kept
          QG    GLU-  14 - HG3   GLU-  29  15.08 +/- 2.06   0.003% *  5.2316% (0.31   0.02   0.02) =   0.001%
          HB3   PHE   72 - HG3   GLU-  29  15.16 +/- 0.78   0.002% *  6.3615% (0.38   0.02   0.02) =   0.001%
          QG    GLU-  15 - HG3   GLU-  29  14.51 +/- 1.69   0.004% *  3.3544% (0.20   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG3   GLU-  29  15.76 +/- 0.83   0.002% *  7.5992% (0.45   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HG3   GLU-  29  16.55 +/- 0.68   0.001% *  4.7127% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  19.68 +/- 1.44   0.000% *  6.3615% (0.38   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  24.12 +/- 2.02   0.000% * 16.6143% (0.98   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  24.02 +/- 0.60   0.000% * 11.6431% (0.69   0.02   0.02) =   0.000%
        T QG    GLN   90 - HG3   GLU-  29  22.79 +/- 0.59   0.000% *  7.5992% (0.45   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  27.00 +/- 0.98   0.000% * 13.5725% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 14 structures by 0.10 A, eliminated.
    Peak unassigned.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 83.7:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 98.5776% (1.00   4.63  83.75) = 100.000%  kept
          HB3   PHE   45 - HG3   GLU-  29  17.58 +/- 0.24   0.000% *  0.2757% (0.65   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  17.56 +/- 0.89   0.000% *  0.0949% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  29  22.65 +/- 0.95   0.000% *  0.4113% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  26.03 +/- 1.02   0.000% *  0.2585% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  26.36 +/- 0.79   0.000% *  0.2757% (0.65   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  23.49 +/- 0.88   0.000% *  0.1063% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.0:
    * O T QG    GLN   17 - HB3   GLN   17   2.48 +/- 0.04  99.975% * 97.6147% (0.76   4.31  84.04) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  10.24 +/- 0.68   0.022% *  0.4947% (0.84   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  17.64 +/- 0.53   0.001% *  0.5870% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.78 +/- 1.00   0.001% *  0.3353% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  20.26 +/- 0.99   0.000% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  20.82 +/- 1.39   0.000% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  20.54 +/- 0.40   0.000% *  0.2020% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 1.0, support = 4.0, residual support = 84.0:
    * O T HA    GLN   17 - HB3   GLN   17   2.74 +/- 0.33  94.873% * 97.7367% (1.00   4.00  84.04) =  99.985%  kept
          HA    GLU-  15 - HB3   GLN   17   5.04 +/- 0.57   4.915% *  0.2767% (0.57   0.02   0.63) =   0.015%
          HA    SER   13 - HB3   GLN   17   9.60 +/- 1.68   0.191% *  0.2767% (0.57   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   17  14.10 +/- 0.55   0.007% *  0.2964% (0.61   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  13.49 +/- 1.05   0.007% *  0.2571% (0.53   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  17.88 +/- 1.42   0.002% *  0.4887% (1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  15.66 +/- 0.95   0.004% *  0.1834% (0.38   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  18.20 +/- 0.68   0.001% *  0.4844% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 4.0, residual support = 84.0:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.879% * 96.8891% (1.00   4.00  84.04) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.14 +/- 0.58   0.076% *  0.4844% (1.00   0.02   0.63) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.52 +/- 1.03   0.023% *  0.2743% (0.57   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB3   GLN   17   7.92 +/- 0.69   0.014% *  0.3879% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17   9.97 +/- 0.72   0.003% *  0.2358% (0.49   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  11.71 +/- 1.90   0.002% *  0.1992% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  11.37 +/- 1.36   0.002% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.78 +/- 0.91   0.000% *  0.4583% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.14 +/- 1.08   0.000% *  0.3134% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  25.12 +/- 0.63   0.000% *  0.4802% (0.99   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  19.69 +/- 0.87   0.000% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  22.63 +/- 1.33   0.000% *  0.1079% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 0.879, support = 3.16, residual support = 46.1:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.74 +/- 0.21  67.662% * 65.4443% (1.00   2.96  46.08) =  80.722%  kept
      O T HG3   MET   11 - HA    MET   11   3.29 +/- 0.69  32.178% * 32.8623% (0.37   4.00  46.05) =  19.277%  kept
        T HG3   MET   11 - HA    GLU-  14   9.86 +/- 1.55   0.105% *  0.4187% (0.95   0.02   0.02) =   0.001%
        T HB3   GLU-  14 - HA    MET   11  10.01 +/- 1.37   0.052% *  0.1737% (0.39   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.52 +/- 1.54   0.002% *  0.2154% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  23.15 +/- 1.63   0.000% *  0.3839% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  22.02 +/- 1.02   0.000% *  0.1231% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.37 +/- 2.30   0.000% *  0.0845% (0.19   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  31.40 +/- 2.35   0.000% *  0.1507% (0.34   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.08 +/- 2.19   0.000% *  0.0683% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.92 +/- 2.38   0.000% *  0.0483% (0.11   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  37.49 +/- 2.87   0.000% *  0.0268% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 63.5:
    * O T HB2   MET   92 - HA    MET   92   3.01 +/- 0.03  99.399% * 97.6040% (1.00   3.87  63.50) =  99.999%  kept
          HB    ILE   56 - HA    MET   92   9.16 +/- 0.41   0.131% *  0.3468% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   7.57 +/- 0.47   0.428% *  0.0999% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  12.45 +/- 0.56   0.021% *  0.1404% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  13.40 +/- 1.21   0.016% *  0.1259% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  16.77 +/- 0.35   0.003% *  0.4776% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  20.96 +/- 0.38   0.001% *  0.4873% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  28.32 +/- 1.04   0.000% *  0.4218% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  22.88 +/- 0.46   0.001% *  0.0779% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  29.17 +/- 2.27   0.000% *  0.0779% (0.15   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  37.55 +/- 2.36   0.000% *  0.1404% (0.28   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 = 0.95, support = 3.94, residual support = 60.3:
    * O T HB3   MET   92 - HA    MET   92   2.72 +/- 0.11  94.319% * 52.1141% (1.00   4.15  63.50) =  95.026%  kept
          HG3   PRO   93 - HA    MET   92   4.38 +/- 0.02   5.528% * 46.5380% (0.76   4.85   1.36) =   4.974%
          QG1   ILE   56 - HA    MET   92   8.20 +/- 0.20   0.131% *  0.0497% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    MET   92  12.02 +/- 0.51   0.014% *  0.2461% (0.98   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  14.25 +/- 0.74   0.005% *  0.2097% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  15.71 +/- 0.53   0.003% *  0.2423% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.26 +/- 0.52   0.000% *  0.2010% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.43 +/- 0.65   0.000% *  0.1421% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  24.13 +/- 0.31   0.000% *  0.2010% (0.80   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  26.89 +/- 1.15   0.000% *  0.0559% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 63.5:
    * O T HG2   MET   92 - HA    MET   92   2.29 +/- 0.23  99.688% * 96.5627% (1.00   2.49  63.50) =  99.998%  kept
          HG2   PRO   52 - HA    MET   92   7.11 +/- 1.36   0.298% *  0.5023% (0.65   0.02   0.02) =   0.002%
          QG    GLU- 114 - HA    MET   92  11.15 +/- 0.39   0.009% *  0.7696% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  12.59 +/- 0.64   0.004% *  0.7494% (0.97   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  23.39 +/- 0.65   0.000% *  0.3481% (0.45   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  30.60 +/- 0.66   0.000% *  0.7765% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  33.57 +/- 2.28   0.000% *  0.2914% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 63.5:
    * O T HG3   MET   92 - HA    MET   92   3.12 +/- 0.36  98.493% * 97.6880% (1.00   3.97  63.50) =  99.997%  kept
          QG    GLN   90 - HA    MET   92   7.24 +/- 1.09   1.388% *  0.1679% (0.34   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HA    MET   92  11.44 +/- 0.49   0.052% *  0.2787% (0.57   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.59 +/- 0.54   0.050% *  0.0974% (0.20   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  16.13 +/- 0.37   0.006% *  0.3382% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  16.75 +/- 0.50   0.005% *  0.3942% (0.80   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.48 +/- 0.76   0.004% *  0.1369% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  23.72 +/- 0.45   0.001% *  0.4826% (0.98   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  27.64 +/- 0.81   0.000% *  0.2397% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  26.56 +/- 1.53   0.000% *  0.1096% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  24.18 +/- 0.92   0.001% *  0.0666% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.873, support = 0.0189, residual support = 0.0189:
          HB    VAL  108 - QB    LYS+ 106   6.20 +/- 0.42  89.173% * 12.6890% (0.92   0.02   0.02) =  94.518%  kept
          HB2   LYS+ 111 - QB    LYS+ 106   9.91 +/- 0.68   6.482% *  3.0603% (0.22   0.02   0.02) =   1.657%
          HB    ILE  119 - QB    LYS+ 106  12.99 +/- 0.32   1.125% * 13.7458% (1.00   0.02   0.02) =   1.292%
          HB2   PRO   93 - QB    LYS+ 106  12.03 +/- 0.27   1.746% *  7.7823% (0.57   0.02   0.02) =   1.135%
          HB3   GLU- 100 - QB    LYS+ 106  14.06 +/- 0.28   0.687% * 13.6242% (0.99   0.02   0.02) =   0.781%
        T HB2   GLN   30 - QB    LYS+ 106  16.64 +/- 0.54   0.251% * 13.7458% (1.00   0.02   0.02) =   0.288%
          HG3   GLN   30 - QB    LYS+ 106  18.10 +/- 0.74   0.151% * 11.9235% (0.87   0.02   0.02) =   0.151%
          HB2   ARG+  54 - QB    LYS+ 106  19.75 +/- 0.27   0.089% * 11.9235% (0.87   0.02   0.02) =   0.088%
          HB3   PRO   68 - QB    LYS+ 106  20.04 +/- 0.35   0.082% *  6.6908% (0.49   0.02   0.02) =   0.046%
          QB    GLU-  15 - QB    LYS+ 106  18.66 +/- 1.12   0.132% *  2.4073% (0.18   0.02   0.02) =   0.026%
          HB2   GLN   17 - QB    LYS+ 106  20.00 +/- 0.37   0.082% *  2.4073% (0.18   0.02   0.02) =   0.016%
    Distance limit 3.83 A violated in 20 structures by 2.37 A, eliminated.
    Peak unassigned.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.9:
      O   HN    ASP-  76 - HA    VAL   75   2.21 +/- 0.03  99.769% * 99.5163% (0.76   4.64  26.94) =  99.999%  kept
          HN    HIS   22 - HA    VAL   75   6.14 +/- 0.29   0.231% *  0.2731% (0.49   0.02   0.02) =   0.001%
          HN    VAL  108 - HA    VAL   75  17.43 +/- 0.54   0.000% *  0.2106% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 5.14, residual support = 83.2:
      O   HN    VAL   75 - HA    VAL   75   2.94 +/- 0.00  99.493% * 99.5911% (0.90   5.14  83.21) =  99.998%  kept
          HN    ASP-  78 - HA    VAL   75   7.09 +/- 0.14   0.507% *  0.4089% (0.95   0.02   0.02) =   0.002%
    Distance limit 4.15 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 = 0.448, support = 0.75, residual support = 17.1:
          HA    PHE   45 - HB    VAL   75   3.76 +/- 0.12  99.885% * 89.9031% (0.45   0.75  17.13) =  99.993%  kept
          HA    VAL   41 - HB    VAL   75  11.70 +/- 0.50   0.112% *  5.1606% (0.97   0.02   0.02) =   0.006%
          HA    HIS  122 - HB    VAL   75  21.02 +/- 0.53   0.003% *  4.9363% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 17.1:
          QD    PHE   45 - HB    VAL   75   3.33 +/- 0.19  99.995% * 98.4856% (0.87   2.00  17.13) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  18.10 +/- 0.53   0.004% *  0.7799% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  24.69 +/- 0.43   0.001% *  0.7345% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.234, support = 0.02, residual support = 3.57:
          HZ2   TRP   27 - HB    VAL   75   7.00 +/- 0.83  98.469% * 19.8169% (0.20   0.02   3.79) =  94.080%  kept
        T HZ    PHE   72 - HB    VAL   75  14.24 +/- 0.69   1.531% * 80.1831% (0.80   0.02   0.02) =   5.920%  kept
    Distance limit 4.58 A violated in 20 structures by 2.40 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.37, residual support = 83.2:
      O   HN    VAL   75 - HB    VAL   75   2.63 +/- 0.46  99.523% * 99.7022% (0.99   4.37  83.21) =  99.999%  kept
          HN    ASP-  78 - HB    VAL   75   7.64 +/- 0.46   0.477% *  0.2978% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 17.1:
        T QE    PHE   45 - QG1   VAL   75   2.50 +/- 0.25  99.947% * 96.5153% (0.34   2.31  17.13) =  99.999%  kept
          QD    PHE   72 - QG1   VAL   75   9.59 +/- 0.91   0.047% *  1.2884% (0.53   0.02   0.02) =   0.001%
          HZ    PHE   72 - QG1   VAL   75  13.12 +/- 1.01   0.007% *  2.1962% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.1:
          QD    PHE   45 - QG1   VAL   75   2.55 +/- 0.23  99.998% * 99.5615% (1.00   2.96  17.13) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  16.19 +/- 1.33   0.002% *  0.2302% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  21.44 +/- 1.24   0.000% *  0.2083% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.14, residual support = 83.2:
          HN    VAL   75 - QG1   VAL   75   3.25 +/- 0.70  91.838% * 99.5911% (0.90   5.14  83.21) =  99.964%  kept
          HN    ASP-  78 - QG1   VAL   75   5.50 +/- 0.67   8.162% *  0.4089% (0.95   0.02   0.02) =   0.036%
    Distance limit 4.25 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 = 26.9:
          HN    ASP-  76 - QG1   VAL   75   3.06 +/- 0.56  99.181% * 99.1034% (0.41   4.97  26.94) =  99.998%  kept
          HN    HIS   22 - QG1   VAL   75   7.18 +/- 0.47   0.758% *  0.1920% (0.20   0.02   0.02) =   0.001%
          HN    VAL  108 - QG1   VAL   75  13.02 +/- 1.11   0.062% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 4 structures by 0.07 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 2.49:
          HB2   CYS   21 - QG2   VAL   75   2.62 +/- 0.26  99.973% * 98.7151% (0.76   0.75   2.49) = 100.000%  kept
          QE    LYS+  81 - QG2   VAL   75  10.95 +/- 0.92   0.025% *  0.6032% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QG2   VAL   75  16.48 +/- 0.51   0.002% *  0.6817% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.521, support = 0.933, residual support = 6.85:
          HZ3   TRP   27 - QG2   VAL   75   3.38 +/- 0.34  81.330% * 43.5714% (0.45   0.99   3.79) =  77.083%  kept
          HZ    PHE   45 - QG2   VAL   75   4.57 +/- 0.42  18.670% * 56.4286% (0.76   0.75  17.13) =  22.917%  kept
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 1.67, residual support = 17.1:
          QE    PHE   45 - QG2   VAL   75   3.69 +/- 0.18  99.273% * 98.4752% (0.97   1.67  17.13) =  99.992%  kept
          QD    PHE   72 - QG2   VAL   75   8.60 +/- 0.21   0.648% *  1.2199% (1.00   0.02   0.02) =   0.008%
          HZ    PHE   72 - QG2   VAL   75  12.20 +/- 0.30   0.080% *  0.3049% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.8, support = 1.14, residual support = 3.79:
          HE3   TRP   27 - QG2   VAL   75   2.27 +/- 0.33  97.170% * 91.9917% (0.80   1.14   3.79) =  99.940%  kept
          HN    THR   23 - QG2   VAL   75   4.52 +/- 0.23   2.696% *  1.9486% (0.97   0.02   0.02) =   0.059%
          HD2   HIS   22 - QG2   VAL   75   7.50 +/- 0.57   0.111% *  0.3996% (0.20   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   VAL   75  10.92 +/- 0.43   0.014% *  1.9792% (0.98   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   VAL   75  12.12 +/- 0.81   0.006% *  0.6232% (0.31   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   VAL   75  14.73 +/- 0.35   0.002% *  1.3062% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   VAL   75  15.93 +/- 0.32   0.001% *  1.7515% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.95, residual support = 83.2:
          HN    VAL   75 - QG2   VAL   75   3.15 +/- 0.16  99.392% * 99.5758% (0.90   4.95  83.21) =  99.997%  kept
          HN    ASP-  78 - QG2   VAL   75   7.46 +/- 0.14   0.608% *  0.4242% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.98 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 = 0.592, support = 0.0195, residual support = 0.0195:
          HN    VAL   43 - QG2   VAL   75   7.51 +/- 0.42  97.821% * 48.3894% (0.61   0.02   0.02) =  97.679%  kept
          HN    VAL  108 - QG2   VAL   75  14.21 +/- 0.61   2.179% * 51.6106% (0.65   0.02   0.02) =   2.321%
    Distance limit 4.48 A violated in 20 structures by 3.03 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.74, residual support = 36.3:
      O   HN    ASP-  76 - HB3   ASP-  76   3.11 +/- 0.42  99.997% * 97.1373% (0.15   3.74  36.31) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  18.76 +/- 0.48   0.003% *  2.8627% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.71, residual support = 36.3:
      O   HN    ASP-  76 - HB2   ASP-  76   2.36 +/- 0.36  99.894% * 98.1984% (0.41   3.71  36.31) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   7.73 +/- 0.44   0.097% *  0.2545% (0.20   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  19.10 +/- 0.57   0.001% *  0.9339% (0.73   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  13.10 +/- 1.38   0.006% *  0.0380% (0.03   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  17.83 +/- 0.62   0.001% *  0.1942% (0.15   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.63 +/- 1.28   0.001% *  0.0789% (0.06   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.59 +/- 0.55   0.000% *  0.1099% (0.09   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.50 +/- 1.19   0.000% *  0.1393% (0.11   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  22.74 +/- 0.59   0.000% *  0.0529% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.372, support = 0.0198, residual support = 0.0198:
          HN    LEU   80 - HA    THR   77   4.46 +/- 0.41  99.497% * 19.6829% (0.38   0.02   0.02) =  99.186%  kept
          HN    CYS   53 - HA    THR   77  11.89 +/- 0.52   0.323% * 31.8091% (0.61   0.02   0.02) =   0.520%
          HN    THR   26 - HA    THR   77  13.16 +/- 0.47   0.165% * 33.9265% (0.65   0.02   0.02) =   0.283%
          HN    ALA   34 - HA    THR   77  19.46 +/- 0.34   0.016% * 14.5815% (0.28   0.02   0.02) =   0.012%
    Distance limit 4.03 A violated in 17 structures by 0.49 A, eliminated.
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.74, residual support = 28.5:
      O   HN    ASP-  78 - HA    THR   77   3.52 +/- 0.03  98.209% * 99.3584% (0.65   4.75  28.45) =  99.988%  kept
          HN    VAL   75 - HA    THR   77   6.87 +/- 0.20   1.791% *  0.6416% (0.99   0.02   0.34) =   0.012%
    Distance limit 4.32 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 = 4.01, residual support = 37.6:
      O   HN    THR   77 - HA    THR   77   2.76 +/- 0.01 100.000% *100.0000% (0.53   4.01  37.57) = 100.000%  kept
    Distance limit 3.94 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 = 2.72, residual support = 11.0:
        T QD    PHE   45 - QG2   THR   77   2.90 +/- 0.24 100.000% *100.0000% (0.80   2.72  11.00) = 100.000%  kept
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.862, support = 3.71, residual support = 12.2:
          HN    THR   46 - QG2   THR   77   2.77 +/- 0.19  38.814% * 98.2276% (0.87   3.73  12.28) =  99.335%  kept
          HN    MET   92 - QG2   THR   77   3.19 +/- 1.91  61.146% *  0.4170% (0.69   0.02   0.02) =   0.664%
          HN    LYS+  74 - QG2   THR   77   8.95 +/- 0.25   0.035% *  0.5951% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  12.54 +/- 0.44   0.004% *  0.3194% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  28.70 +/- 2.41   0.000% *  0.4409% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.01, residual support = 37.6:
          HN    THR   77 - QG2   THR   77   2.06 +/- 0.19 100.000% *100.0000% (0.87   4.01  37.57) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.612, support = 1.5, residual support = 8.13:
          HA    ALA   20 - HB2   LYS+  74   3.26 +/- 0.48  99.773% * 98.6222% (0.61   1.50   8.13) =  99.997%  kept
          HA    LEU   71 - HB2   LYS+  74   9.30 +/- 0.30   0.227% *  1.3778% (0.64   0.02   0.02) =   0.003%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.96, residual support = 8.13:
          HA    ALA   20 - HB3   LYS+  74   2.01 +/- 0.07  99.994% * 99.2963% (0.76   2.96   8.13) = 100.000%  kept
          HA    LEU   71 - HB3   LYS+  74  10.14 +/- 0.36   0.006% *  0.7037% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.17, residual support = 176.3:
      O   HA    LYS+  74 - HB3   LYS+  74   3.01 +/- 0.03  99.981% * 99.6655% (0.80   6.17 176.28) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  13.54 +/- 0.24   0.012% *  0.2447% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.90 +/- 0.42   0.007% *  0.0898% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.2:
      O T HA    PRO   93 - HB2   PRO   93   2.30 +/- 0.00 100.000% * 99.9739% (0.49   5.98 132.17) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.26 +/- 0.62   0.000% *  0.0261% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.602, support = 1.11, residual support = 0.83:
          HB3   MET   92 - HB3   PRO   93   6.23 +/- 0.76   3.567% * 89.1978% (0.41   1.81   1.36) =  60.610%  kept
          QG1   ILE   56 - HB3   PRO   93   3.31 +/- 0.21  96.221% *  2.1468% (0.90   0.02   0.02) =  39.348%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.27 +/- 0.77   0.119% *  0.7388% (0.31   0.02   0.02) =   0.017%
          QD    LYS+ 106 - HB3   PRO   93  12.81 +/- 0.59   0.031% *  1.8294% (0.76   0.02   0.02) =   0.011%
        T HB2   LEU   73 - HB3   PRO   93  13.44 +/- 0.83   0.026% *  1.3552% (0.57   0.02   0.02) =   0.007%
          HB    ILE   89 - HB3   PRO   93  12.84 +/- 0.48   0.030% *  0.8984% (0.38   0.02   0.02) =   0.005%
          QD    LYS+  99 - HB3   PRO   93  18.95 +/- 0.55   0.003% *  1.9168% (0.80   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PRO   93  19.40 +/- 0.59   0.003% *  1.9168% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.93, residual support = 132.2:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.932% * 98.1581% (0.80   5.93 132.17) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   6.27 +/- 0.58   0.058% *  0.2839% (0.69   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93   9.45 +/- 0.67   0.004% *  0.1699% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93  10.18 +/- 0.32   0.003% *  0.2839% (0.69   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93  10.65 +/- 0.49   0.002% *  0.2012% (0.49   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  13.06 +/- 0.56   0.001% *  0.0920% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.86 +/- 0.90   0.000% *  0.0920% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  25.88 +/- 1.79   0.000% *  0.3158% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  25.12 +/- 0.64   0.000% *  0.0724% (0.18   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  34.13 +/- 2.24   0.000% *  0.3309% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 5.05, residual support = 132.2:
      O   HA    PRO   93 - HB3   PRO   93   2.73 +/- 0.00 100.000% *100.0000% (0.92   5.05 132.17) = 100.000%  kept
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   7.09 +/- 0.49 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.57 A violated in 20 structures by 2.52 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.09, residual support = 14.1:
          QD1   ILE   19 - HG2   GLN   30   3.52 +/- 0.26  98.785% * 96.2273% (0.95   2.09  14.07) =  99.992%  kept
          QG1   VAL   43 - HG2   GLN   30   8.94 +/- 0.49   0.469% *  0.6695% (0.69   0.02   0.02) =   0.003%
          QG1   VAL   41 - HG2   GLN   30   8.94 +/- 0.52   0.500% *  0.4744% (0.49   0.02   0.02) =   0.002%
          QG2   VAL   18 - HG2   GLN   30  10.27 +/- 0.71   0.194% *  0.8741% (0.90   0.02   0.02) =   0.002%
          QG2   THR   46 - HG2   GLN   30  13.16 +/- 0.48   0.040% *  0.9406% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG2   GLN   30  16.04 +/- 0.80   0.013% *  0.8141% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 4.74:
        T QG2   THR   26 - HG2   GLN   30   3.57 +/- 0.11  99.782% * 80.7705% (0.61   0.75   4.74) =  99.996%  kept
          HB2   LYS+  74 - HG2   GLN   30  10.55 +/- 0.54   0.167% *  1.2113% (0.34   0.02   0.02) =   0.003%
        T HD3   LYS+  74 - HG2   GLN   30  13.85 +/- 0.43   0.031% *  2.0105% (0.57   0.02   0.02) =   0.001%
          HG    LEU  104 - HG2   GLN   30  17.69 +/- 0.80   0.007% *  2.5787% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  17.79 +/- 1.11   0.007% *  2.4393% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.90 +/- 0.68   0.004% *  3.5433% (1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  23.38 +/- 0.82   0.001% *  2.5787% (0.73   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  24.51 +/- 1.32   0.001% *  2.7139% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  25.53 +/- 0.81   0.001% *  2.1539% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 6.73, residual support = 235.4:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.79 +/- 0.27  99.986% * 99.4181% (0.95   6.73 235.38) = 100.000%  kept
          QG1   VAL   42 - HB3   LYS+ 112  13.40 +/- 0.62   0.009% *  0.3016% (0.97   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   LYS+ 112  14.78 +/- 0.51   0.005% *  0.2803% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 6.27, residual support = 235.4:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.63 +/- 0.13  99.994% * 99.5422% (0.73   6.27 235.38) = 100.000%  kept
          HB    THR   46 - HB3   LYS+ 112  14.43 +/- 0.78   0.004% *  0.0974% (0.22   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB3   LYS+ 112  16.42 +/- 0.45   0.002% *  0.1962% (0.45   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  27.83 +/- 0.88   0.000% *  0.1642% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 5.69, residual support = 235.4:
      O   HN    LYS+ 112 - HB3   LYS+ 112   3.44 +/- 0.08  99.980% * 99.1353% (0.97   5.69 235.38) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  15.72 +/- 0.79   0.012% *  0.0803% (0.22   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  17.11 +/- 0.59   0.007% *  0.1354% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  21.59 +/- 0.62   0.002% *  0.2889% (0.80   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  39.19 +/- 2.75   0.000% *  0.3600% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 5.8, residual support = 235.4:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.20 +/- 0.15  99.958% * 98.7392% (0.84   5.80 235.38) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.21 +/- 0.31   0.041% *  0.1060% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  17.36 +/- 0.58   0.000% *  0.2869% (0.70   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.15 +/- 0.32   0.000% *  0.1172% (0.29   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  20.45 +/- 0.50   0.000% *  0.1390% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  21.60 +/- 0.49   0.000% *  0.1258% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  24.92 +/- 2.02   0.000% *  0.2222% (0.55   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  40.02 +/- 2.71   0.000% *  0.2636% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.65, residual support = 5.83:
          HA    PHE   72 - HB    VAL   42   2.62 +/- 0.44  99.483% * 99.1814% (0.85   2.65   5.83) =  99.999%  kept
          HA    MET   96 - HB    VAL   42   7.95 +/- 0.48   0.513% *  0.1701% (0.19   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   LYS+ 112  20.34 +/- 0.41   0.001% *  0.5285% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  15.78 +/- 0.45   0.003% *  0.1200% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 87.7:
      O   HN    VAL   42 - HB    VAL   42   2.46 +/- 0.26  94.179% * 98.5418% (0.80   5.57  87.70) =  99.978%  kept
          HN    LEU   73 - HB    VAL   42   4.01 +/- 0.32   5.596% *  0.3539% (0.80   0.02   2.37) =   0.021%
          HN    ILE   19 - HB    VAL   42   6.92 +/- 0.46   0.198% *  0.1066% (0.24   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  11.30 +/- 0.58   0.024% *  0.2480% (0.56   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  15.00 +/- 0.43   0.002% *  0.1750% (0.40   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  20.18 +/- 0.45   0.000% *  0.2497% (0.57   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  20.63 +/- 0.48   0.000% *  0.2497% (0.57   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  22.26 +/- 0.57   0.000% *  0.0752% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.522, support = 0.0198, residual support = 2.63:
          QD    PHE   60 - HB    VAL   42   4.70 +/- 0.32  35.012% * 18.0612% (0.66   0.02   3.47) =  74.198%  kept
          QD    PHE   55 - HB2   LYS+ 112   4.24 +/- 0.63  63.555% *  3.3007% (0.12   0.02   0.24) =  24.613%  kept
          HE3   TRP   27 - HB    VAL   42   8.93 +/- 0.44   0.651% *  5.8930% (0.22   0.02   0.02) =   0.450%
          HN    LYS+  66 - HB    VAL   42   9.14 +/- 0.20   0.564% *  6.5709% (0.24   0.02   0.02) =   0.435%
          QD    PHE   60 - HB2   LYS+ 112  11.00 +/- 0.54   0.186% * 12.7462% (0.47   0.02   0.02) =   0.279%
          QD    PHE   55 - HB    VAL   42  16.68 +/- 0.51   0.016% *  4.6770% (0.17   0.02   0.02) =   0.009%
          HN    LYS+  81 - HB    VAL   42  21.72 +/- 0.75   0.003% * 23.4241% (0.86   0.02   0.02) =   0.009%
          HN    LYS+  66 - HB2   LYS+ 112  18.09 +/- 0.57   0.009% *  4.6372% (0.17   0.02   0.02) =   0.005%
          HN    LYS+  81 - HB2   LYS+ 112  26.62 +/- 1.14   0.001% * 16.5309% (0.61   0.02   0.02) =   0.002%
          HE3   TRP   27 - HB2   LYS+ 112  22.86 +/- 0.46   0.002% *  4.1588% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.511, support = 0.885, residual support = 5.83:
        T QD    PHE   72 - HB    VAL   42   2.74 +/- 0.31  91.412% * 30.7249% (0.46   0.84   5.83) =  83.137%  kept
          HZ    PHE   72 - HB    VAL   42   4.17 +/- 0.31   8.492% * 67.0823% (0.78   1.08   5.83) =  16.862%  kept
          QE    PHE   45 - HB    VAL   42   9.20 +/- 0.23   0.091% *  0.4716% (0.30   0.02   0.02) =   0.001%
          HZ    PHE   72 - HB2   LYS+ 112  17.56 +/- 0.49   0.002% *  0.8751% (0.55   0.02   0.02) =   0.000%
        T QD    PHE   72 - HB2   LYS+ 112  16.41 +/- 0.48   0.003% *  0.5134% (0.32   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.10 +/- 0.48   0.002% *  0.3328% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 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   2.39 +/- 0.13  99.985% * 95.0954% (0.14   2.86  15.44) =  99.999%  kept
          HN    LEU   40 - HA1   GLY  101  10.37 +/- 0.69   0.015% *  4.9046% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 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   2.92 +/- 0.02  99.962% * 98.5294% (0.38   2.86  15.44) =  99.999%  kept
          HN    LEU   40 - HA2   GLY  101  10.87 +/- 0.19   0.038% *  1.4706% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.59 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 = 1.7, residual support = 5.09:
      O   HN    SER   13 - HA    ALA   12   2.44 +/- 0.18  99.998% * 99.8128% (0.84   1.70   5.09) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  15.71 +/- 1.48   0.002% *  0.1872% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 12.2:
      O   HN    ALA   12 - HA    ALA   12   2.75 +/- 0.19  99.999% * 98.8485% (0.85   2.38  12.19) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  20.56 +/- 2.95   0.001% *  0.5146% (0.53   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  28.03 +/- 2.11   0.000% *  0.3184% (0.33   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  33.77 +/- 1.41   0.000% *  0.3184% (0.33   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 2.31, residual support = 12.2:
      O   HN    ALA   12 - QB    ALA   12   2.76 +/- 0.25  99.991% * 97.7018% (0.46   2.31  12.19) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  16.41 +/- 2.78   0.008% *  1.6061% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  21.61 +/- 2.29   0.001% *  0.3874% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  20.43 +/- 1.70   0.001% *  0.3047% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.5, residual support = 12.7:
      O   HN    ALA   12 - HA    MET   11   2.59 +/- 0.18  99.709% * 97.5888% (0.65   3.50  12.68) =  99.999%  kept
          HN    ALA   12 - HA    GLU-  14   7.63 +/- 0.86   0.288% *  0.2191% (0.25   0.02   0.02) =   0.001%
          HN    ASN   35 - HA    GLU-  14  16.63 +/- 1.83   0.002% *  0.0754% (0.09   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.60 +/- 1.50   0.000% *  0.2712% (0.31   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  22.46 +/- 3.37   0.000% *  0.1921% (0.22   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  30.52 +/- 2.18   0.000% *  0.6911% (0.80   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  28.22 +/- 1.15   0.000% *  0.2712% (0.31   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  36.41 +/- 1.79   0.000% *  0.6911% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 3.57, residual support = 12.7:
          HN    ALA   12 - HG3   MET   11   3.77 +/- 0.26  98.026% * 98.7245% (0.97   3.57  12.68) =  99.996%  kept
          HN    ALA   12 - HB3   GLU-  14   8.01 +/- 1.24   1.938% *  0.1965% (0.34   0.02   0.02) =   0.004%
          HN    ASN   35 - HB3   GLU-  14  15.67 +/- 1.90   0.028% *  0.1153% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  22.70 +/- 3.33   0.003% *  0.3247% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  22.43 +/- 1.92   0.003% *  0.0837% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  30.62 +/- 2.21   0.000% *  0.2358% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  28.67 +/- 1.59   0.001% *  0.0837% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  36.38 +/- 1.89   0.000% *  0.2358% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.12, residual support = 6.7:
      O   HN    GLU-  14 - HA    SER   13   2.49 +/- 0.21  99.970% * 92.2192% (0.92   2.12   6.70) = 100.000%  kept
          HN    LYS+  99 - HA    SER   37  12.20 +/- 0.85   0.009% *  0.3661% (0.39   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  12.89 +/- 0.43   0.006% *  0.4037% (0.43   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  17.01 +/- 2.73   0.002% *  0.7556% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    SER   37  15.21 +/- 2.19   0.003% *  0.4654% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  15.73 +/- 0.38   0.002% *  0.4147% (0.44   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  17.49 +/- 2.07   0.001% *  0.4037% (0.43   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.31 +/- 0.42   0.001% *  0.4573% (0.48   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  14.84 +/- 0.36   0.003% *  0.1556% (0.16   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  18.07 +/- 0.21   0.001% *  0.4573% (0.48   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  19.31 +/- 2.86   0.001% *  0.2912% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  21.22 +/- 1.44   0.000% *  0.7556% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.39 +/- 0.20   0.000% *  0.4147% (0.44   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.36 +/- 1.71   0.000% *  0.6852% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  18.62 +/- 0.20   0.001% *  0.1763% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  25.53 +/- 1.57   0.000% *  0.5272% (0.56   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  37.21 +/- 2.25   0.000% *  0.6852% (0.73   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  33.84 +/- 0.63   0.000% *  0.3661% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.544, support = 0.0178, residual support = 0.0178:
          HN    ILE   19 - HA    SER   13  13.77 +/- 1.50  14.408% * 21.8157% (0.99   0.02   0.02) =  29.635%  kept
          HN    LEU   73 - HA    THR   46  11.76 +/- 0.25  29.825% *  7.5418% (0.34   0.02   0.02) =  21.207%  kept
          HN    ILE   19 - HA    THR   46  13.62 +/- 0.38  12.406% * 13.2032% (0.60   0.02   0.02) =  15.443%  kept
          HN    VAL   42 - HA    SER   37  12.93 +/- 0.39  17.193% *  6.6588% (0.30   0.02   0.02) =  10.794%  kept
          HN    VAL   42 - HA    THR   46  14.52 +/- 0.20   8.426% *  7.5418% (0.34   0.02   0.02) =   5.991%  kept
          HN    ILE   19 - HA    SER   37  15.84 +/- 0.92   5.387% * 11.6574% (0.53   0.02   0.02) =   5.920%  kept
          HN    LEU   73 - HA    SER   37  15.23 +/- 0.44   6.411% *  6.6588% (0.30   0.02   0.02) =   4.025%
          HN    LEU   73 - HA    SER   13  17.50 +/- 1.48   2.977% * 12.4613% (0.57   0.02   0.02) =   3.497%
          HN    VAL   42 - HA    SER   13  17.48 +/- 1.35   2.968% * 12.4613% (0.57   0.02   0.02) =   3.487%
    Distance limit 3.85 A violated in 20 structures by 5.95 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.42, residual support = 25.9:
      O   HN    SER   37 - HB3   SER   37   2.58 +/- 0.25  99.979% * 97.3416% (0.83   3.42  25.86) = 100.000%  kept
          HN    SER   37 - QB    SER   13  15.89 +/- 2.88   0.014% *  0.4359% (0.63   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  16.20 +/- 2.49   0.006% *  0.1651% (0.24   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  16.75 +/- 0.86   0.001% *  0.2157% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  22.96 +/- 0.74   0.000% *  0.4800% (0.70   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  24.03 +/- 1.19   0.000% *  0.3673% (0.53   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  31.10 +/- 0.82   0.000% *  0.5633% (0.82   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  32.29 +/- 2.43   0.000% *  0.4311% (0.63   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.581, support = 0.0183, residual support = 0.0183:
          HA    PHE   59 - HB3   GLU-  14  22.01 +/- 1.35  47.809% * 22.8936% (0.69   0.02   0.02) =  65.907%  kept
          HA    LEU  104 - HB3   GLU-  14  24.33 +/- 1.71  26.895% * 12.5086% (0.38   0.02   0.02) =  20.258%  kept
          HA    TRP   87 - HB3   GLU-  14  35.86 +/- 2.41   2.627% * 33.2545% (1.00   0.02   0.02) =   5.261%  kept
          HA    PHE   59 - HG3   MET   11  29.30 +/- 2.24   9.965% *  8.1279% (0.24   0.02   0.02) =   4.877%
          HA    LEU  104 - HG3   MET   11  31.63 +/- 2.23   5.847% *  4.4409% (0.13   0.02   0.02) =   1.564%
          HA    ASP- 113 - HB3   GLU-  14  32.40 +/- 1.57   4.651% *  5.1424% (0.15   0.02   0.02) =   1.440%
          HA    TRP   87 - HG3   MET   11  44.19 +/- 2.83   0.749% * 11.8063% (0.35   0.02   0.02) =   0.533%
          HA    ASP- 113 - HG3   MET   11  39.74 +/- 2.10   1.456% *  1.8257% (0.05   0.02   0.02) =   0.160%
    Distance limit 4.06 A violated in 20 structures by 16.23 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.76, residual support = 46.1:
      O   HN    GLU-  14 - HB3   GLU-  14   3.00 +/- 0.38  99.599% * 97.8220% (0.92   3.76  46.08) =  99.999%  kept
          HN    GLU-  14 - HG3   MET   11   8.23 +/- 1.06   0.370% *  0.1847% (0.33   0.02   0.02) =   0.001%
          HN    GLN   30 - HB3   GLU-  14  13.88 +/- 2.23   0.026% *  0.1922% (0.34   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  19.58 +/- 1.61   0.002% *  0.5586% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  21.30 +/- 1.93   0.001% *  0.5636% (1.00   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  21.61 +/- 3.59   0.002% *  0.0682% (0.12   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  26.97 +/- 1.78   0.000% *  0.1983% (0.35   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.70 +/- 2.75   0.000% *  0.2001% (0.36   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  34.03 +/- 2.46   0.000% *  0.1567% (0.28   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  42.04 +/- 3.16   0.000% *  0.0556% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 3.76, residual support = 46.1:
      O   HN    GLU-  14 - HB2   GLU-  14   2.84 +/- 0.70  99.219% * 96.8586% (0.49   3.76  46.08) =  99.998%  kept
          HN    GLU-  14 - HG2   MET   11   8.49 +/- 1.03   0.759% *  0.1929% (0.18   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   GLU-  14  15.74 +/- 1.77   0.012% *  0.4351% (0.41   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  19.79 +/- 1.79   0.003% *  0.6846% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.47 +/- 2.01   0.002% *  0.7684% (0.73   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  23.01 +/- 3.35   0.002% *  0.1629% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  20.01 +/- 1.49   0.002% *  0.1007% (0.10   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  27.04 +/- 1.83   0.000% *  0.2564% (0.24   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.86 +/- 2.76   0.000% *  0.2878% (0.27   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.41 +/- 0.31   0.000% *  0.1130% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  27.97 +/- 1.34   0.000% *  0.0757% (0.07   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  29.58 +/- 0.50   0.000% *  0.0640% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.55, residual support = 7.49:
      O   HN    GLY   16 - HA    GLU-  15   2.62 +/- 0.17  99.982% * 96.9035% (0.97   2.55   7.49) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  12.01 +/- 1.18   0.014% *  0.6156% (0.78   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  15.16 +/- 1.20   0.003% *  0.1411% (0.18   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  18.71 +/- 0.58   0.001% *  0.5107% (0.65   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  25.26 +/- 0.61   0.000% *  0.6316% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  28.15 +/- 0.62   0.000% *  0.5418% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  27.31 +/- 0.76   0.000% *  0.4381% (0.56   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  25.21 +/- 0.68   0.000% *  0.1171% (0.15   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  26.44 +/- 0.80   0.000% *  0.1005% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 6.03, residual support = 102.4:
      O   HN    ASN   28 - HA    ASN   28   2.75 +/- 0.02  99.999% * 99.6453% (0.84   6.03 102.44) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  18.79 +/- 0.38   0.001% *  0.3547% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.375, support = 2.56, residual support = 19.1:
        T HB2   LEU   31 - HA    ASN   28   2.00 +/- 0.14  99.936% * 84.4225% (0.38   2.56  19.09) =  99.999%  kept
          HB3   LEU   73 - HA    ASN   28   7.40 +/- 0.37   0.041% *  0.6605% (0.38   0.02   4.04) =   0.000%
          HG    LEU   98 - HA    ASN   28  11.06 +/- 1.06   0.005% *  1.6983% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    ASN   28   9.27 +/- 0.88   0.013% *  0.4388% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28  12.84 +/- 0.49   0.002% *  0.9259% (0.53   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  14.30 +/- 0.77   0.001% *  1.3449% (0.76   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASN   28  14.86 +/- 0.45   0.001% *  1.7559% (1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ASN   28  12.87 +/- 0.34   0.002% *  0.5432% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  18.20 +/- 0.69   0.000% *  1.0674% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  19.67 +/- 0.84   0.000% *  1.7598% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  17.53 +/- 1.33   0.000% *  0.7235% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  18.83 +/- 0.55   0.000% *  1.1384% (0.65   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  25.27 +/- 0.96   0.000% *  1.5782% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  21.36 +/- 0.85   0.000% *  0.5432% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  24.67 +/- 0.92   0.000% *  0.5432% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  28.37 +/- 0.45   0.000% *  0.8566% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 2.95, residual support = 19.1:
          HG    LEU   31 - HA    ASN   28   2.56 +/- 0.95  96.821% * 97.1281% (0.61   2.95  19.09) =  99.972%  kept
          QD2   LEU   73 - HA    ASN   28   6.19 +/- 0.26   3.173% *  0.8289% (0.76   0.02   4.04) =   0.028%
          QD1   ILE   56 - HA    ASN   28  18.16 +/- 0.31   0.004% *  1.0467% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  23.29 +/- 0.63   0.001% *  0.8289% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  23.43 +/- 0.59   0.001% *  0.1674% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.6, residual support = 5.2:
      O   HN    GLY   16 - HA2   GLY   16   2.90 +/- 0.02  99.999% * 98.8273% (0.97   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  22.80 +/- 0.58   0.000% *  0.6312% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  30.38 +/- 0.42   0.000% *  0.5415% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 3.47, residual support = 18.2:
      O   HN    GLN   17 - HA2   GLY   16   3.52 +/- 0.02  98.600% * 97.5736% (0.65   3.47  18.22) =  99.994%  kept
          HD21  ASN   69 - HA2   GLY   16   7.95 +/- 1.38   1.351% *  0.3902% (0.45   0.02   0.02) =   0.005%
          HN    ALA   61 - HA2   GLY   16  12.81 +/- 0.65   0.045% *  0.4236% (0.49   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  19.02 +/- 0.50   0.004% *  0.1343% (0.15   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  28.58 +/- 0.52   0.000% *  0.3578% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  34.11 +/- 0.90   0.000% *  0.6969% (0.80   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  33.50 +/- 0.50   0.000% *  0.4236% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 3.47, residual support = 18.2:
      O   HN    GLN   17 - HA1   GLY   16   3.13 +/- 0.04  98.658% * 97.5736% (0.65   3.47  18.22) =  99.995%  kept
          HD21  ASN   69 - HA1   GLY   16   6.88 +/- 1.09   1.305% *  0.3902% (0.45   0.02   0.02) =   0.005%
          HN    ALA   61 - HA1   GLY   16  11.98 +/- 0.64   0.034% *  0.4236% (0.49   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.14 +/- 0.60   0.003% *  0.1343% (0.15   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  27.47 +/- 0.53   0.000% *  0.3578% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  32.77 +/- 0.95   0.000% *  0.6969% (0.80   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  32.35 +/- 0.61   0.000% *  0.4236% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 2.6, residual support = 5.2:
      O   HN    GLY   16 - HA1   GLY   16   2.29 +/- 0.02 100.000% * 97.5103% (0.57   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  21.49 +/- 0.62   0.000% *  0.4522% (0.34   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  21.05 +/- 1.11   0.000% *  0.2624% (0.20   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  29.48 +/- 0.40   0.000% *  1.3229% (1.00   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  29.16 +/- 0.58   0.000% *  0.4522% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.584, support = 4.31, residual support = 84.0:
      O T HB3   GLN   17 - QG    GLN   17   2.48 +/- 0.04  98.680% * 96.7276% (0.58   4.31  84.04) =  99.996%  kept
          QB    LYS+  65 - QG    GLN   17   7.02 +/- 1.02   0.475% *  0.5664% (0.74   0.02   0.02) =   0.003%
          HB2   LEU   71 - HB    VAL   70   6.45 +/- 0.18   0.328% *  0.1178% (0.15   0.02  31.44) =   0.000%
          HB2   LEU   71 - QG    GLN   17   9.31 +/- 1.02   0.048% *  0.5753% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   6.84 +/- 0.22   0.230% *  0.0494% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   8.50 +/- 0.32   0.063% *  0.1160% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17   9.95 +/- 0.60   0.026% *  0.2413% (0.31   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   8.34 +/- 0.60   0.077% *  0.0300% (0.04   0.02   2.74) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  10.24 +/- 0.68   0.022% *  0.0919% (0.12   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  12.97 +/- 1.56   0.007% *  0.1463% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70   9.57 +/- 0.63   0.034% *  0.0185% (0.02   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.47 +/- 0.61   0.004% *  0.1078% (0.14   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  19.35 +/- 0.83   0.000% *  0.5263% (0.69   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  19.59 +/- 1.52   0.000% *  0.4031% (0.52   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  16.97 +/- 0.87   0.001% *  0.0906% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.65 +/- 0.78   0.004% *  0.0185% (0.02   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  19.37 +/- 0.97   0.000% *  0.0906% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  19.46 +/- 0.84   0.000% *  0.0826% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.494, support = 5.62, residual support = 84.0:
          HN    GLN   17 - QG    GLN   17   2.59 +/- 0.54  92.907% * 98.1158% (0.49   5.62  84.04) =  99.996%  kept
          HD21  ASN   69 - HB    VAL   70   5.16 +/- 1.07   6.662% *  0.0496% (0.07   0.02  26.26) =   0.004%
          HN    GLN   17 - HB    VAL   70   7.59 +/- 0.68   0.296% *  0.0715% (0.10   0.02   0.02) =   0.000%
          HN    ALA   61 - QG    GLN   17  10.60 +/- 0.72   0.061% *  0.2627% (0.37   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  10.29 +/- 0.92   0.045% *  0.2419% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  11.35 +/- 0.38   0.022% *  0.0538% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  14.53 +/- 1.28   0.005% *  0.0833% (0.12   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  23.25 +/- 1.06   0.000% *  0.2218% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  28.52 +/- 1.51   0.000% *  0.4321% (0.61   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  27.46 +/- 1.31   0.000% *  0.2627% (0.37   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  17.14 +/- 0.46   0.002% *  0.0171% (0.02   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  24.90 +/- 0.68   0.000% *  0.0454% (0.06   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  29.10 +/- 0.92   0.000% *  0.0885% (0.13   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  29.60 +/- 0.57   0.000% *  0.0538% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.763, support = 5.81, residual support = 50.9:
          HN    VAL   18 - QG    GLN   17   3.88 +/- 0.45  98.295% * 99.7451% (0.76   5.81  50.94) =  99.999%  kept
          HN    SER   13 - QG    GLN   17   9.02 +/- 0.91   0.893% *  0.0766% (0.17   0.02   0.02) =   0.001%
          HN    VAL   18 - HB    VAL   70   9.02 +/- 0.59   0.740% *  0.0703% (0.16   0.02   0.02) =   0.001%
          HN    GLU-  29 - QG    GLN   17  15.06 +/- 1.17   0.035% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  16.34 +/- 0.97   0.022% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  16.99 +/- 0.39   0.016% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.29, residual support = 84.0:
      O   HN    GLN   17 - HB3   GLN   17   3.10 +/- 0.34  99.892% * 98.3955% (0.65   5.29  84.04) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  11.45 +/- 0.81   0.063% *  0.2801% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  12.02 +/- 0.87   0.039% *  0.2580% (0.45   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.02 +/- 0.94   0.005% *  0.0888% (0.15   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  25.55 +/- 0.62   0.000% *  0.2366% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  31.57 +/- 0.82   0.000% *  0.4608% (0.80   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  30.31 +/- 0.55   0.000% *  0.2801% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.9:
          HN    VAL   18 - HB3   GLN   17   3.80 +/- 0.06  99.581% * 99.8372% (1.00   5.47  50.94) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  10.16 +/- 1.40   0.404% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  16.75 +/- 1.31   0.015% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 84.0:
      O T HB3   GLN   17 - HA    GLN   17   2.74 +/- 0.33  97.536% * 97.1413% (0.76   4.00  84.04) =  99.984%  kept
          QB    LYS+  65 - HA    GLN   17   5.86 +/- 0.74   2.294% *  0.6134% (0.97   0.02   0.02) =   0.015%
          HB2   LEU   71 - HA    GLN   17   9.96 +/- 0.73   0.060% *  0.6230% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    GLN   17   8.96 +/- 0.43   0.096% *  0.2613% (0.41   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  13.57 +/- 1.31   0.010% *  0.1585% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  20.42 +/- 0.76   0.001% *  0.5700% (0.90   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  19.76 +/- 1.34   0.001% *  0.4366% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  17.59 +/- 0.89   0.002% *  0.0981% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.09 +/- 0.87   0.001% *  0.0981% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 4.0, residual support = 84.0:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.758% * 86.6210% (0.18   4.00  84.04) =  99.998%  kept
          QB    LYS+  65 - HB3   PRO   68   6.24 +/- 0.65   0.057% *  1.3722% (0.59   0.02   0.02) =   0.001%
        T HB3   GLN   17 - QB    GLU-  15   6.14 +/- 0.58   0.076% *  0.4861% (0.21   0.02   0.63) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   7.65 +/- 1.50   0.038% *  0.6235% (0.27   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB3   PRO   68   7.92 +/- 0.69   0.014% *  1.0867% (0.46   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   7.30 +/- 0.31   0.020% *  0.5846% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   7.62 +/- 0.77   0.020% *  0.5469% (0.23   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15   9.56 +/- 0.90   0.005% *  0.6139% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.32 +/- 0.35   0.001% *  1.3937% (0.59   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  10.82 +/- 0.80   0.002% *  0.5555% (0.24   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  10.84 +/- 0.73   0.002% *  0.2615% (0.11   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  11.62 +/- 2.17   0.003% *  0.1586% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  11.12 +/- 0.47   0.002% *  0.2330% (0.10   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  14.83 +/- 0.86   0.000% *  0.3546% (0.15   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  17.45 +/- 1.53   0.000% *  0.5705% (0.24   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  19.54 +/- 0.72   0.000% *  1.2752% (0.54   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  14.60 +/- 1.46   0.000% *  0.1413% (0.06   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  16.25 +/- 0.75   0.000% *  0.2194% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  14.75 +/- 1.62   0.000% *  0.0981% (0.04   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  20.40 +/- 1.40   0.000% *  0.3893% (0.17   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  23.85 +/- 1.07   0.000% *  0.9767% (0.42   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  21.90 +/- 0.73   0.000% *  0.5083% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  22.84 +/- 1.07   0.000% *  0.4369% (0.19   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  18.54 +/- 1.68   0.000% *  0.0981% (0.04   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.96 +/- 0.66   0.000% *  0.2194% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  19.38 +/- 0.86   0.000% *  0.0874% (0.04   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.44 +/- 0.91   0.000% *  0.0874% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 36.3:
      O   HA    PRO   68 - HB3   PRO   68   2.37 +/- 0.15  98.350% * 99.4311% (0.19   2.96  36.26) =  99.995%  kept
          HA    PRO   68 - QB    GLU-  15   5.26 +/- 0.91   1.544% *  0.3008% (0.08   0.02   0.02) =   0.005%
          HA    PRO   68 - HB2   GLN   17   7.71 +/- 0.57   0.106% *  0.2680% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 5.47, residual support = 50.9:
          HN    VAL   18 - HB2   GLN   17   2.72 +/- 0.21  99.293% * 97.9601% (0.24   5.47  50.94) =  99.998%  kept
          HN    VAL   18 - HB3   PRO   68   8.81 +/- 0.63   0.110% *  0.8982% (0.61   0.02   0.02) =   0.001%
          HN    VAL   18 - QB    GLU-  15   8.16 +/- 0.33   0.161% *  0.4018% (0.27   0.02   0.02) =   0.001%
          HN    SER   13 - QB    GLU-  15   7.06 +/- 0.65   0.380% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  12.24 +/- 1.24   0.017% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  11.31 +/- 1.37   0.031% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  14.67 +/- 1.12   0.005% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  16.70 +/- 0.54   0.002% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  21.02 +/- 0.52   0.001% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.9:
      O   HN    VAL   18 - HA    GLN   17   2.41 +/- 0.01  99.999% * 99.7203% (0.84   5.47  50.94) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  17.37 +/- 0.44   0.001% *  0.2124% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  30.08 +/- 0.43   0.000% *  0.0673% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.684, support = 0.0199, residual support = 1.22:
        T QB    ALA   64 - HA    GLN   17   3.75 +/- 0.30  99.318% * 34.7258% (0.69   0.02   1.22) =  99.515%  kept
        T QG1   VAL   42 - HA    GLN   17   8.84 +/- 0.53   0.666% * 24.6072% (0.49   0.02   0.02) =   0.473%
        T QB    ALA   47 - HA    GLN   17  17.17 +/- 0.59   0.012% * 30.6625% (0.61   0.02   0.02) =   0.010%
          HG2   LYS+ 112 - HA    GLN   17  20.20 +/- 1.02   0.004% * 10.0045% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 15 structures by 0.35 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 = 78.3:
      O   HN    VAL   18 - HB    VAL   18   2.25 +/- 0.32  99.999% * 99.6934% (0.84   4.99  78.31) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  15.94 +/- 0.48   0.001% *  0.2328% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  26.18 +/- 0.56   0.000% *  0.0738% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.486, support = 1.5, residual support = 7.39:
        T HB2   PHE   72 - HA    VAL   18   2.92 +/- 0.65  95.245% * 96.8102% (0.49   1.50   7.40) =  99.866%  kept
          HA    ALA   64 - HA    VAL   18   5.31 +/- 0.47   4.750% *  2.5994% (0.98   0.02   8.41) =   0.134%
        T HB3   ASN   35 - HA    VAL   18  16.98 +/- 0.73   0.005% *  0.5904% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.86, residual support = 23.6:
      O   HN    ILE   19 - HA    VAL   18   2.22 +/- 0.03  99.563% * 98.8408% (0.73   4.86  23.63) =  99.998%  kept
          HN    LEU   73 - HA    VAL   18   5.71 +/- 0.22   0.354% *  0.5172% (0.92   0.02   0.02) =   0.002%
          HN    VAL   42 - HA    VAL   18   7.32 +/- 0.38   0.082% *  0.5172% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.52 +/- 0.23   0.000% *  0.1247% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.408, support = 0.0171, residual support = 0.0171:
          HG    LEU   73 - QG1   VAL   18   6.70 +/- 0.82  23.593% *  8.7275% (0.61   0.02   0.02) =  46.020%  kept
          QB    ALA   61 - QG1   VAL   18   5.40 +/- 0.67  63.741% *  2.2202% (0.15   0.02   0.02) =  31.629%  kept
          HG    LEU   67 - QG1   VAL   18   9.68 +/- 1.41   2.490% * 14.3572% (1.00   0.02   0.02) =   7.991%  kept
          HB3   LEU   67 - QG1   VAL   18   8.76 +/- 1.38   4.794% *  3.5880% (0.25   0.02   0.02) =   3.844%
          HG    LEU   40 - QG1   VAL   18  11.12 +/- 1.43   0.983% * 14.2618% (0.99   0.02   0.02) =   3.135%
          QG    LYS+  66 - QG1   VAL   18   9.68 +/- 1.22   2.043% *  5.9156% (0.41   0.02   0.02) =   2.701%
          HB3   LEU   40 - QG1   VAL   18  10.69 +/- 1.59   1.353% *  6.4511% (0.45   0.02   0.02) =   1.951%
          HB3   LEU  115 - QG1   VAL   18  11.96 +/- 0.89   0.520% * 14.2618% (0.99   0.02   0.02) =   1.657%
          HG    LEU  115 - QG1   VAL   18  13.51 +/- 1.10   0.258% *  9.8840% (0.69   0.02   0.02) =   0.571%
          QB    ALA  120 - QG1   VAL   18  14.15 +/- 1.07   0.188% *  9.8840% (0.69   0.02   0.02) =   0.416%
          HG2   LYS+ 102 - QG1   VAL   18  18.90 +/- 1.41   0.037% * 10.4487% (0.73   0.02   0.02) =   0.086%
    Distance limit 3.34 A violated in 20 structures by 1.67 A, eliminated.
    Peak unassigned.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.487, support = 2.96, residual support = 9.18:
        T QB    ALA   34 - QG1   VAL   41   2.00 +/- 0.22  99.811% * 94.2977% (0.49   2.96   9.18) =  99.999%  kept
          HG3   LYS+  38 - QG1   VAL   41   7.32 +/- 0.73   0.069% *  0.2295% (0.18   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   8.15 +/- 0.63   0.030% *  0.3091% (0.24   0.02   0.02) =   0.000%
        T QB    ALA   34 - QG2   VAL   18   9.14 +/- 0.44   0.015% *  0.4874% (0.37   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18   9.56 +/- 0.73   0.010% *  0.6073% (0.46   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  11.66 +/- 0.93   0.003% *  0.8364% (0.64   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.32 +/- 0.21   0.002% *  0.7947% (0.61   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  13.32 +/- 0.65   0.002% *  1.0944% (0.84   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   7.75 +/- 0.55   0.041% *  0.0343% (0.03   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  13.43 +/- 0.46   0.001% *  0.4044% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  17.02 +/- 1.63   0.001% *  0.1754% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104   9.52 +/- 1.01   0.012% *  0.0123% (0.01   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  18.46 +/- 0.73   0.000% *  0.2497% (0.19   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  19.69 +/- 0.42   0.000% *  0.3267% (0.25   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  15.16 +/- 0.43   0.001% *  0.0427% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.59 +/- 0.51   0.001% *  0.0217% (0.02   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  18.79 +/- 0.80   0.000% *  0.0588% (0.04   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  21.85 +/- 0.55   0.000% *  0.0175% (0.01   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 3.88, residual support = 71.8:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.01  87.598% * 93.4177% (0.84   3.88  71.80) =  99.989%  kept
          HB2   LEU   71 - QG1   VAL   41   4.68 +/- 0.54   1.060% *  0.3963% (0.69   0.02   2.75) =   0.005%
          QB    LYS+ 102 - QD2   LEU  104   3.24 +/- 0.57   9.944% *  0.0259% (0.04   0.02   0.24) =   0.003%
          QB    LYS+  65 - QG2   VAL   18   6.15 +/- 0.82   0.269% *  0.3201% (0.55   0.02   0.02) =   0.001%
          HG12  ILE  103 - QG1   VAL   41   6.26 +/- 0.76   0.182% *  0.3963% (0.69   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   18   5.52 +/- 0.60   0.372% *  0.0872% (0.15   0.02  50.94) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   7.23 +/- 0.55   0.063% *  0.4818% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   8.15 +/- 0.68   0.033% *  0.4255% (0.74   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   8.32 +/- 0.58   0.028% *  0.3028% (0.52   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.56 +/- 0.65   0.371% *  0.0213% (0.04   0.02  39.17) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  10.24 +/- 1.00   0.009% *  0.3682% (0.64   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  11.80 +/- 0.18   0.003% *  0.5567% (0.97   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   7.97 +/- 1.01   0.045% *  0.0259% (0.04   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  12.49 +/- 1.11   0.003% *  0.4321% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  13.20 +/- 0.20   0.002% *  0.4189% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  14.68 +/- 1.11   0.001% *  0.3028% (0.52   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  13.64 +/- 0.98   0.001% *  0.1812% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.80 +/- 0.32   0.000% *  0.5655% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  14.04 +/- 0.63   0.001% *  0.1812% (0.31   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  13.22 +/- 0.77   0.002% *  0.1142% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.13 +/- 0.82   0.000% *  0.3682% (0.64   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.65 +/- 0.57   0.006% *  0.0213% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  11.54 +/- 0.65   0.004% *  0.0299% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  16.42 +/- 0.45   0.000% *  0.2372% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.25 +/- 0.65   0.000% *  0.2372% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.61 +/- 0.58   0.001% *  0.0225% (0.04   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  13.87 +/- 0.58   0.001% *  0.0127% (0.02   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.87 +/- 0.42   0.000% *  0.0304% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  17.67 +/- 0.91   0.000% *  0.0061% (0.01   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  21.24 +/- 0.69   0.000% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.614, support = 2.28, residual support = 12.4:
          HB3   LEU   40 - QG1   VAL   41   5.07 +/- 0.13   4.086% * 83.3967% (0.46   3.75  21.05) =  59.050%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.58 +/- 1.60  19.054% *  8.6807% (0.76   0.24   0.02) =  28.662%  kept
          HB2   LYS+  74 - QG2   VAL   18   3.48 +/- 0.97  74.020% *  0.9515% (0.99   0.02   0.02) =  12.204%  kept
          HB3   LEU   40 - QD2   LEU  104   6.19 +/- 0.83   1.831% *  0.0895% (0.09   0.02   0.02) =   0.028%
          QG2   THR   26 - QG2   VAL   18   9.28 +/- 0.72   0.120% *  0.8018% (0.84   0.02   0.02) =   0.017%
          HD2   LYS+ 121 - QD2   LEU  104   8.21 +/- 1.32   0.449% *  0.1013% (0.11   0.02   0.02) =   0.008%
          QG2   THR   26 - QG1   VAL   41   9.99 +/- 0.39   0.072% *  0.6128% (0.64   0.02   0.02) =   0.008%
          QD    LYS+  66 - QG2   VAL   18   9.45 +/- 0.93   0.121% *  0.2963% (0.31   0.02   0.02) =   0.006%
          HB3   LEU   40 - QG2   VAL   18  10.57 +/- 0.81   0.058% *  0.5822% (0.61   0.02   0.02) =   0.006%
          HB2   LYS+  74 - QG1   VAL   41  11.04 +/- 0.28   0.038% *  0.7271% (0.76   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - QG1   VAL   41  12.96 +/- 1.21   0.018% *  0.5039% (0.52   0.02   0.02) =   0.002%
          HG    LEU  115 - QG2   VAL   18  12.95 +/- 1.00   0.017% *  0.3603% (0.38   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   18  13.49 +/- 0.78   0.012% *  0.3603% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  14.57 +/- 0.58   0.007% *  0.5607% (0.58   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG2   VAL   18  15.33 +/- 1.30   0.006% *  0.6594% (0.69   0.02   0.02) =   0.001%
          QD    LYS+  66 - QG1   VAL   41  13.66 +/- 0.48   0.011% *  0.2264% (0.24   0.02   0.02) =   0.000%
          QB    ALA  120 - QG1   VAL   41  14.42 +/- 0.36   0.008% *  0.2753% (0.29   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU  104  11.12 +/- 0.49   0.037% *  0.0554% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  17.01 +/- 0.79   0.003% *  0.2753% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  15.92 +/- 0.59   0.004% *  0.1462% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.26 +/- 0.86   0.014% *  0.0455% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.86 +/- 0.69   0.005% *  0.1232% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  16.81 +/- 0.64   0.003% *  0.1127% (0.12   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  15.64 +/- 0.46   0.005% *  0.0554% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.859, support = 0.0198, residual support = 0.0198:
        T HA    ALA   61 - QG2   VAL   18   3.74 +/- 0.72  98.298% * 17.8607% (0.87   0.02   0.02) =  99.024%  kept
          HD2   PRO   68 - QG2   VAL   18   9.71 +/- 0.84   0.425% * 20.1827% (0.98   0.02   0.02) =   0.484%
          HD3   PRO   58 - QG2   VAL   18   9.31 +/- 0.51   0.536% *  4.0748% (0.20   0.02   0.02) =   0.123%
          HD2   PRO   68 - QG1   VAL   41  12.12 +/- 0.43   0.122% * 15.4242% (0.75   0.02   0.02) =   0.106%
          HA    VAL   24 - QG1   VAL   41  11.12 +/- 0.62   0.228% *  7.6594% (0.37   0.02   0.02) =   0.099%
          HA    VAL   24 - QG2   VAL   18  11.93 +/- 0.83   0.167% * 10.0224% (0.49   0.02   0.02) =   0.094%
        T HA    ALA   61 - QG1   VAL   41  13.60 +/- 0.27   0.058% * 13.6497% (0.66   0.02   0.02) =   0.045%
          HD2   PRO   68 - QD2   LEU  104  12.95 +/- 0.75   0.099% *  3.1013% (0.15   0.02   0.02) =   0.017%
          HA    ALA   61 - QD2   LEU  104  16.05 +/- 0.57   0.025% *  2.7445% (0.13   0.02   0.02) =   0.004%
          HD3   PRO   58 - QG1   VAL   41  17.30 +/- 0.33   0.014% *  3.1141% (0.15   0.02   0.02) =   0.003%
          HA    VAL   24 - QD2   LEU  104  17.37 +/- 0.93   0.016% *  1.5401% (0.07   0.02   0.02) =   0.001%
          HD3   PRO   58 - QD2   LEU  104  18.24 +/- 0.51   0.011% *  0.6261% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 15 structures by 0.66 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.17, residual support = 71.8:
      O T HA    VAL   41 - QG1   VAL   41   2.86 +/- 0.32  99.101% * 97.9316% (0.65   4.17  71.80) =  99.998%  kept
          HA    PHE   45 - QG2   VAL   18   8.64 +/- 0.95   0.191% *  0.5537% (0.76   0.02   0.02) =   0.001%
        T HA    VAL   41 - QG2   VAL   18   8.75 +/- 0.79   0.201% *  0.3590% (0.49   0.02   0.02) =   0.001%
          HA    PHE   45 - QG1   VAL   41  11.81 +/- 0.26   0.025% *  0.7245% (1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.18 +/- 0.58   0.260% *  0.0252% (0.03   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  12.13 +/- 0.34   0.021% *  0.2019% (0.28   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  13.03 +/- 0.79   0.015% *  0.1543% (0.21   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   8.88 +/- 0.65   0.181% *  0.0108% (0.01   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.60 +/- 0.56   0.005% *  0.0389% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.976, support = 0.0195, residual support = 0.0195:
          QD    PHE   60 - QG1   VAL   18   4.49 +/- 0.93  94.953% * 36.4324% (1.00   0.02   0.02) =  97.572%  kept
          HN    LYS+  66 - QG1   VAL   18   8.38 +/- 1.15   2.557% * 25.0257% (0.69   0.02   0.02) =   1.805%
          QE    PHE   59 - QG1   VAL   18   8.66 +/- 1.45   2.405% *  8.1111% (0.22   0.02   0.02) =   0.550%
          HN    LYS+  81 - QG1   VAL   18  15.85 +/- 0.89   0.085% * 30.4309% (0.84   0.02   0.02) =   0.073%
    Distance limit 3.46 A violated in 16 structures by 1.07 A, eliminated.
    Peak unassigned.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 78.3:
          HN    VAL   18 - QG1   VAL   18   3.42 +/- 0.25  99.966% * 99.8233% (0.92   5.49  78.31) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  13.70 +/- 1.59   0.034% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.328, support = 0.0199, residual support = 0.0199:
          HN    LYS+  74 - QG1   VAL   18   4.19 +/- 0.53  97.623% * 13.9681% (0.31   0.02   0.02) =  94.554%  kept
          HN    THR   46 - QG1   VAL   18   8.00 +/- 0.47   2.214% * 32.8624% (0.73   0.02   0.02) =   5.046%  kept
          HN    MET   92 - QG1   VAL   18  13.29 +/- 1.23   0.133% * 40.5867% (0.90   0.02   0.02) =   0.374%
          HN    ASP- 113 - QG1   VAL   18  16.92 +/- 0.73   0.030% * 12.5828% (0.28   0.02   0.02) =   0.026%
    Distance limit 3.94 A violated in 13 structures by 0.37 A, eliminated.
    Peak unassigned.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.86, residual support = 23.6:
          HN    ILE   19 - QG1   VAL   18   2.82 +/- 0.40  94.672% * 99.8053% (0.84   4.86  23.63) =  99.995%  kept
          HN    LEU   73 - QG1   VAL   18   4.87 +/- 0.98   4.825% *  0.0973% (0.20   0.02   0.02) =   0.005%
          HN    VAL   42 - QG1   VAL   18   7.04 +/- 1.17   0.503% *  0.0973% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.788, support = 0.0193, residual support = 0.0193:
          QD    PHE   60 - QG2   VAL   18   4.33 +/- 0.80  85.879% * 13.8337% (0.80   0.02   0.02) =  87.494%  kept
          HN    LYS+  66 - QG2   VAL   18   7.23 +/- 0.81   7.188% * 16.9341% (0.98   0.02   0.02) =   8.964%  kept
          QE    PHE   59 - QG2   VAL   18   8.33 +/- 1.08   2.253% *  9.7810% (0.57   0.02   0.02) =   1.623%
          QD    PHE   60 - QG1   VAL   41   9.57 +/- 0.25   1.035% * 10.5721% (0.61   0.02   0.02) =   0.806%
          HN    PHE   59 - QG2   VAL   18   8.56 +/- 0.58   1.772% *  3.8463% (0.22   0.02   0.02) =   0.502%
          QE    PHE   59 - QG1   VAL   41  10.93 +/- 0.58   0.466% *  7.4749% (0.43   0.02   0.02) =   0.257%
          HN    LYS+  66 - QG1   VAL   41  12.89 +/- 0.20   0.173% * 12.9415% (0.75   0.02   0.02) =   0.165%
          QE    PHE   59 - QD2   LEU  104  10.52 +/- 0.41   0.619% *  1.5030% (0.09   0.02   0.02) =   0.068%
          QD    PHE   60 - QD2   LEU  104  11.71 +/- 0.46   0.330% *  2.1257% (0.12   0.02   0.02) =   0.052%
          HN    LYS+  66 - QD2   LEU  104  13.80 +/- 0.67   0.135% *  2.6021% (0.15   0.02   0.02) =   0.026%
          HN    LYS+  81 - QG2   VAL   18  16.80 +/- 1.22   0.044% *  7.7455% (0.45   0.02   0.02) =   0.025%
          HN    PHE   59 - QG1   VAL   41  15.96 +/- 0.27   0.047% *  2.9394% (0.17   0.02   0.02) =   0.010%
          HN    LYS+  81 - QG1   VAL   41  19.23 +/- 0.71   0.017% *  5.9193% (0.34   0.02   0.02) =   0.007%
          HN    PHE   59 - QD2   LEU  104  16.64 +/- 0.51   0.039% *  0.5910% (0.03   0.02   0.02) =   0.002%
          HN    LYS+  81 - QD2   LEU  104  24.28 +/- 1.13   0.004% *  1.1902% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 14 structures by 0.80 A, eliminated.
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.31, residual support = 78.3:
          HN    VAL   18 - QG2   VAL   18   2.66 +/- 0.62  99.632% * 98.1584% (0.61   5.31  78.31) =  99.999%  kept
          HN    GLU-  29 - QG1   VAL   41   9.72 +/- 0.41   0.073% *  0.3384% (0.55   0.02   0.02) =   0.000%
          HN    GLN   30 - QG1   VAL   41   8.16 +/- 0.38   0.211% *  0.1162% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  13.02 +/- 0.65   0.015% *  0.4429% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  11.29 +/- 0.59   0.036% *  0.1521% (0.25   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  12.11 +/- 0.40   0.019% *  0.2827% (0.46   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  16.82 +/- 0.79   0.003% *  0.0681% (0.11   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  16.27 +/- 0.80   0.003% *  0.0568% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  21.02 +/- 0.90   0.001% *  0.1882% (0.31   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.36 +/- 0.77   0.005% *  0.0234% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  21.45 +/- 0.71   0.001% *  0.1439% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  25.27 +/- 1.02   0.000% *  0.0289% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.52, residual support = 71.8:
          HN    VAL   41 - QG1   VAL   41   2.11 +/- 0.28  99.514% * 98.4845% (0.14   4.52  71.80) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   5.81 +/- 0.59   0.406% *  0.0234% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  10.64 +/- 0.42   0.007% *  0.6375% (0.20   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  10.76 +/- 0.81   0.007% *  0.3332% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.52 +/- 0.14   0.064% *  0.0342% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.50 +/- 0.88   0.001% *  0.4872% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.37, residual support = 87.4:
          HN    VAL   83 - QG1   VAL   83   2.33 +/- 0.15  99.994% * 98.5442% (0.36   5.37  87.42) = 100.000%  kept
          HN    TRP   49 - QG1   VAL   83  13.80 +/- 0.63   0.002% *  0.5052% (0.49   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  14.96 +/- 0.52   0.001% *  0.7740% (0.75   0.02   0.02) =   0.000%
          HE22  GLN   30 - QG1   VAL   83  14.47 +/- 0.98   0.002% *  0.1766% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.455, support = 0.02, residual support = 0.02:
          QG1   VAL   24 - QG1   VAL   83   5.55 +/- 0.53  63.386% * 19.4421% (0.46   0.02   0.02) =  63.339%  kept
          QG2   VAL   24 - QG1   VAL   83   6.11 +/- 0.60  36.466% * 19.4421% (0.46   0.02   0.02) =  36.439%  kept
        T QG1   VAL  107 - QG1   VAL   83  16.33 +/- 1.17   0.123% * 32.0546% (0.75   0.02   0.02) =   0.203%
        T HG    LEU   63 - QG1   VAL   83  22.94 +/- 0.88   0.014% * 13.8691% (0.33   0.02   0.02) =   0.010%
          HD3   LYS+ 112 - QG1   VAL   83  24.17 +/- 1.10   0.011% * 15.1921% (0.36   0.02   0.02) =   0.008%
    Distance limit 3.33 A violated in 20 structures by 1.81 A, eliminated.
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.612, support = 0.0188, residual support = 0.0188:
          HB3   PHE   97 - HA    ILE   19  16.19 +/- 0.30  11.686% * 25.4758% (0.92   0.02   0.02) =  32.892%  kept
          QG    GLU-  79 - HA    ILE   19  12.07 +/- 0.43  67.236% *  4.2582% (0.15   0.02   0.02) =  31.632%  kept
          HB2   PRO   58 - HA    ILE   19  17.08 +/- 0.74   8.597% * 25.4758% (0.92   0.02   0.02) =  24.198%  kept
          HB2   GLU- 100 - HA    ILE   19  20.89 +/- 0.49   2.530% * 18.9570% (0.69   0.02   0.02) =   5.299%  kept
        T HG3   GLU-  25 - HA    ILE   19  16.89 +/- 0.20   9.028% *  3.7349% (0.14   0.02   0.02) =   3.725%
          HB2   GLN  116 - HA    ILE   19  24.66 +/- 0.40   0.923% * 22.0984% (0.80   0.02   0.02) =   2.254%
    Distance limit 4.28 A violated in 20 structures by 7.21 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   2.19 +/- 0.01  99.998% * 99.7478% (0.73   5.04  25.50) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  12.97 +/- 0.25   0.002% *  0.1681% (0.31   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  21.03 +/- 0.35   0.000% *  0.0840% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.47, residual support = 170.0:
      O   HN    ILE   19 - HA    ILE   19   2.89 +/- 0.02  99.528% * 99.6191% (0.98   6.47 170.04) =  99.999%  kept
          HN    LEU   73 - HA    ILE   19   7.25 +/- 0.17   0.401% *  0.1904% (0.61   0.02   4.00) =   0.001%
          HN    VAL   42 - HA    ILE   19   9.68 +/- 0.26   0.071% *  0.1904% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HB    ILE   19   3.10 +/- 0.18 100.000% *100.0000% (0.95   2.00   4.00) = 100.000%  kept
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.69, residual support = 170.0:
      O   HN    ILE   19 - HB    ILE   19   2.12 +/- 0.09  99.293% * 98.8139% (0.65   5.69 170.04) =  99.996%  kept
          HN    LEU   73 - HB    ILE   19   4.99 +/- 0.21   0.630% *  0.5184% (0.97   0.02   4.00) =   0.003%
          HN    VAL   42 - HB    ILE   19   7.10 +/- 0.27   0.076% *  0.5184% (0.97   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  18.44 +/- 0.27   0.000% *  0.1493% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 170.0:
      O   HG13  ILE   19 - QG2   ILE   19   2.95 +/- 0.09  97.285% * 93.0197% (0.28   4.89 170.04) =  99.975%  kept
          QB    ALA   34 - QG2   ILE   19   6.34 +/- 0.35   1.090% *  1.3551% (0.99   0.02   0.02) =   0.016%
          QG2   THR   23 - QG2   ILE   19   7.87 +/- 0.57   0.336% *  1.0448% (0.76   0.02   0.02) =   0.004%
          QG2   THR   39 - QG2   ILE   19   8.29 +/- 0.82   0.227% *  0.8292% (0.61   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QG2   ILE   19   6.42 +/- 0.40   0.995% *  0.1850% (0.14   0.02   5.27) =   0.002%
          QG2   ILE   56 - QG2   ILE   19  11.83 +/- 0.50   0.025% *  1.3401% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   ILE   19  14.16 +/- 1.47   0.023% *  1.1859% (0.87   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  13.61 +/- 0.48   0.010% *  0.8292% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  13.99 +/- 0.80   0.009% *  0.2109% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    12 chemical-shift based assignments, quality = 0.944, support = 5.43, residual support = 169.8:
      O   HG12  ILE   19 - QG2   ILE   19   3.02 +/- 0.10  54.378% * 97.3380% (0.95   5.44 170.04) =  99.834%  kept
          HG    LEU   73 - QG2   ILE   19   3.52 +/- 1.15  40.215% *  0.1990% (0.53   0.02   4.00) =   0.151%
          HB3   LYS+  74 - QG2   ILE   19   4.53 +/- 0.39   5.277% *  0.1419% (0.38   0.02   5.27) =   0.014%
          QB    ALA   61 - QG2   ILE   19   9.93 +/- 0.48   0.046% *  0.3707% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  10.91 +/- 0.39   0.024% *  0.3391% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   ILE   19  12.74 +/- 0.48   0.010% *  0.3748% (0.99   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.37 +/- 0.55   0.008% *  0.2746% (0.73   0.02   0.02) =   0.000%
        T QB    LEU   98 - QG2   ILE   19  10.46 +/- 0.39   0.030% *  0.0662% (0.18   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  14.21 +/- 0.38   0.005% *  0.3707% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19  13.80 +/- 0.39   0.006% *  0.2141% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.81 +/- 0.55   0.001% *  0.1555% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  18.09 +/- 0.92   0.001% *  0.1555% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.89, residual support = 170.0:
      O   HB    ILE   19 - QG2   ILE   19   2.13 +/- 0.00  90.443% * 96.9817% (0.80   4.89 170.04) =  99.988%  kept
          HG3   GLN   30 - QG2   ILE   19   3.54 +/- 0.69   9.456% *  0.1103% (0.22   0.02  14.07) =   0.012%
          HB2   GLN   17 - QG2   ILE   19   7.33 +/- 0.33   0.056% *  0.4572% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   8.14 +/- 0.49   0.032% *  0.4572% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19  10.09 +/- 0.23   0.008% *  0.4942% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  11.97 +/- 0.34   0.003% *  0.2804% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  13.51 +/- 0.28   0.001% *  0.3597% (0.73   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  17.46 +/- 1.10   0.000% *  0.4296% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  19.79 +/- 0.64   0.000% *  0.4296% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 14.1:
          HG2   GLN   30 - QG2   ILE   19   3.78 +/- 0.37  99.272% * 96.5713% (0.65   2.13  14.07) =  99.996%  kept
          HB3   ASN   28 - QG2   ILE   19   8.93 +/- 0.16   0.643% *  0.5750% (0.41   0.02   0.02) =   0.004%
          HB3   HIS  122 - QG2   ILE   19  15.57 +/- 0.74   0.025% *  1.2132% (0.87   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QG2   ILE   19  17.19 +/- 0.94   0.014% *  1.3955% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  13.89 +/- 0.44   0.046% *  0.2449% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 170.0:
      O   HA    ILE   19 - QG2   ILE   19   2.79 +/- 0.12  99.927% * 99.1423% (0.92   5.74 170.04) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19   9.49 +/- 0.13   0.067% *  0.3740% (1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  14.75 +/- 0.55   0.005% *  0.2569% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  18.27 +/- 0.29   0.001% *  0.2268% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.68, residual support = 25.5:
          HN    ALA   20 - QG2   ILE   19   3.03 +/- 0.17  99.909% * 97.9099% (0.31   3.68  25.50) =  99.999%  kept
          HN    PHE   45 - QG2   ILE   19   9.94 +/- 0.42   0.088% *  1.2513% (0.73   0.02   0.02) =   0.001%
          HN    ALA  110 - QG2   ILE   19  17.25 +/- 0.50   0.003% *  0.8388% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 5.73, residual support = 169.9:
          HN    ILE   19 - QG2   ILE   19   3.37 +/- 0.14  88.922% * 98.8229% (0.65   5.73 170.04) =  99.935%  kept
          HN    LEU   73 - QG2   ILE   19   4.90 +/- 0.45  10.073% *  0.5145% (0.97   0.02   4.00) =   0.059%
          HN    VAL   42 - QG2   ILE   19   7.15 +/- 0.36   0.999% *  0.5145% (0.97   0.02   0.02) =   0.006%
          HN    LYS+ 106 - QG2   ILE   19  16.32 +/- 0.42   0.007% *  0.1482% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.384, support = 0.0193, residual support = 0.0193:
          QD1   LEU   40 - HG13  ILE   19  10.62 +/- 0.52  14.326% * 23.4959% (0.41   0.02   0.02) =  35.601%  kept
          QD2   LEU   67 - HG13  ILE   19  11.78 +/- 0.40   7.576% * 39.2581% (0.69   0.02   0.02) =  31.457%  kept
          QD1   LEU   40 - HG    LEU   71   8.42 +/- 0.54  54.771% *  3.3680% (0.06   0.02   0.02) =  19.511%  kept
          QD2   LEU   67 - HG    LEU   71  10.31 +/- 0.87  17.016% *  5.6275% (0.10   0.02   0.02) =  10.128%  kept
          QG2   ILE  119 - HG13  ILE   19  17.17 +/- 0.52   0.792% * 15.8904% (0.28   0.02   0.02) =   1.332%
          QD1   ILE  103 - HG13  ILE   19  15.73 +/- 0.88   1.427% *  8.8183% (0.15   0.02   0.02) =   1.331%
          QD1   ILE  103 - HG    LEU   71  13.76 +/- 0.66   3.220% *  1.2641% (0.02   0.02   0.02) =   0.431%
          QG2   ILE  119 - HG    LEU   71  16.86 +/- 0.66   0.872% *  2.2778% (0.04   0.02   0.02) =   0.210%
    Distance limit 3.39 A violated in 20 structures by 4.30 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 5.69, residual support = 170.0:
          HN    ILE   19 - HG13  ILE   19   3.59 +/- 0.30  88.751% * 98.5983% (0.65   5.69 170.04) =  99.980%  kept
          HN    LEU   73 - HG13  ILE   19   7.01 +/- 0.42   1.811% *  0.5168% (0.97   0.02   4.00) =   0.011%
          HN    VAL   42 - HG13  ILE   19   8.44 +/- 0.58   0.598% *  0.5168% (0.97   0.02   0.02) =   0.004%
          HN    ILE   19 - HG    LEU   71   6.57 +/- 1.01   4.828% *  0.0497% (0.09   0.02   0.02) =   0.003%
          HN    VAL   42 - HG    LEU   71   6.75 +/- 0.39   2.307% *  0.0741% (0.14   0.02   2.46) =   0.002%
          HN    LEU   73 - HG    LEU   71   7.40 +/- 0.83   1.696% *  0.0741% (0.14   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG13  ILE   19  20.15 +/- 0.51   0.003% *  0.1489% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  18.46 +/- 0.37   0.005% *  0.0213% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 14.1:
          HE22  GLN   30 - QG2   ILE   19   2.46 +/- 0.25  99.943% * 97.3475% (0.41   2.13  14.07) = 100.000%  kept
          QE    PHE   45 - QG2   ILE   19   8.84 +/- 0.38   0.052% *  0.4390% (0.20   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   ILE   19  13.19 +/- 0.43   0.005% *  2.2135% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.5, residual support = 14.1:
          HE21  GLN   30 - QG2   ILE   19   2.97 +/- 0.50  99.394% * 96.5700% (1.00   1.50  14.07) =  99.993%  kept
          HD1   TRP   27 - QG2   ILE   19   7.38 +/- 0.20   0.572% *  1.1194% (0.87   0.02   0.02) =   0.007%
          QD    PHE   59 - QG2   ILE   19  12.24 +/- 0.86   0.031% *  1.1194% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  18.85 +/- 0.61   0.002% *  1.1912% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.24, residual support = 14.1:
          HE22  GLN   30 - QD1   ILE   19   3.78 +/- 0.27  99.963% * 93.9688% (0.25   2.24  14.07) =  99.999%  kept
          HN    CYS   50 - QD1   ILE   19  16.72 +/- 0.58   0.014% *  2.6999% (0.80   0.02   0.02) =   0.000%
          HN    TRP   49 - QD1   ILE   19  16.93 +/- 0.58   0.013% *  2.1812% (0.65   0.02   0.02) =   0.000%
          HN    VAL   83 - QD1   ILE   19  17.98 +/- 0.61   0.009% *  1.1501% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 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  18.02 +/- 0.28 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.42 A violated in 20 structures by 13.60 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.84, residual support = 25.5:
          HA    ILE   19 - QB    ALA   20   3.85 +/- 0.02  99.794% * 98.7236% (0.92   3.84  25.50) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  11.96 +/- 0.10   0.111% *  0.5565% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  12.68 +/- 0.60   0.083% *  0.3823% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  17.33 +/- 0.50   0.012% *  0.3376% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.861, support = 0.0196, residual support = 7.52:
          QE    LYS+  74 - QB    ALA   20   4.97 +/- 0.75  89.100% * 25.4326% (0.90   0.02   8.13) =  92.506%  kept
          HB2   PHE   72 - QB    ALA   20   7.60 +/- 0.26   8.460% * 16.0552% (0.57   0.02   0.02) =   5.545%  kept
          QB    CYS   50 - QB    ALA   20  10.06 +/- 0.89   1.569% * 26.1780% (0.92   0.02   0.02) =   1.677%
          HB3   ASP-  78 - QB    ALA   20  11.41 +/- 0.50   0.766% *  4.9664% (0.18   0.02   0.02) =   0.155%
          HB3   ASN   69 - QB    ALA   20  15.84 +/- 0.35   0.104% * 27.3678% (0.97   0.02   0.02) =   0.116%
    Distance limit 4.06 A violated in 16 structures by 0.91 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 1.99, residual support = 5.01:
          HD2   HIS   22 - QB    ALA   20   3.83 +/- 0.27  95.015% * 96.2439% (0.92   1.99   5.01) =  99.969%  kept
          HN    THR   23 - QB    ALA   20   6.38 +/- 0.06   4.728% *  0.5518% (0.53   0.02   0.02) =   0.029%
          HD1   TRP   49 - QB    ALA   20  12.76 +/- 0.83   0.076% *  1.0395% (0.99   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   20  12.81 +/- 0.43   0.074% *  0.9406% (0.90   0.02   0.02) =   0.001%
          QE    PHE   95 - QB    ALA   20  12.99 +/- 0.39   0.068% *  0.5105% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   20  16.56 +/- 1.03   0.016% *  0.5518% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  15.51 +/- 0.44   0.023% *  0.1618% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 3.77, residual support = 16.0:
          HN    CYS   21 - QB    ALA   20   3.50 +/- 0.02  99.935% * 99.1012% (0.95   3.77  15.97) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.73 +/- 0.27   0.043% *  0.3372% (0.61   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  18.46 +/- 0.49   0.005% *  0.2925% (0.53   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  17.58 +/- 0.58   0.006% *  0.1716% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  16.11 +/- 0.54   0.011% *  0.0974% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 3.74, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.08 +/- 0.06  99.993% * 97.9394% (0.31   3.74  15.24) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.41 +/- 0.32   0.007% *  1.2336% (0.73   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  16.53 +/- 0.36   0.000% *  0.8269% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.421, support = 0.0161, residual support = 0.0161:
          HB    VAL   41 - HB2   CYS   21  11.51 +/- 1.05  26.573% *  9.0526% (0.65   0.02   0.02) =  39.744%  kept
          QB    LYS+  33 - HB2   CYS   21  10.40 +/- 0.44  45.349% *  4.7734% (0.34   0.02   0.02) =  35.765%  kept
          HG12  ILE  103 - HB2   CYS   21  16.53 +/- 0.88   2.829% * 11.2053% (0.80   0.02   0.02) =   5.238%  kept
          QB    LYS+  81 - HB2   CYS   21  13.53 +/- 0.50   9.636% *  3.1155% (0.22   0.02   0.02) =   4.960%
          HB3   PRO   52 - HB2   CYS   21  20.07 +/- 0.93   0.886% * 13.7167% (0.98   0.02   0.02) =   2.009%
          QB    LYS+  66 - HB2   CYS   21  17.71 +/- 0.92   1.890% *  6.2738% (0.45   0.02   0.02) =   1.959%
          HB3   ASP- 105 - HB2   CYS   21  17.94 +/- 0.91   1.748% *  6.2738% (0.45   0.02   0.02) =   1.812%
          HG2   ARG+  54 - HB2   CYS   21  18.30 +/- 0.90   1.596% *  6.8115% (0.49   0.02   0.02) =   1.796%
          QB    LYS+ 106 - HB2   CYS   21  15.92 +/- 0.68   3.558% *  2.7693% (0.20   0.02   0.02) =   1.628%
          HB    ILE  103 - HB2   CYS   21  19.15 +/- 0.71   1.152% *  7.3624% (0.53   0.02   0.02) =   1.401%
          HG2   PRO   93 - HB2   CYS   21  17.00 +/- 0.91   2.454% *  3.1155% (0.22   0.02   0.02) =   1.263%
          HG3   PRO   68 - HB2   CYS   21  20.48 +/- 0.88   0.778% *  7.9226% (0.57   0.02   0.02) =   1.019%
          HB3   GLN   90 - HB2   CYS   21  18.88 +/- 0.74   1.298% *  3.8908% (0.28   0.02   0.02) =   0.834%
          HG    LEU  123 - HB2   CYS   21  24.74 +/- 1.22   0.252% * 13.7167% (0.98   0.02   0.02) =   0.572%
    Distance limit 4.30 A violated in 20 structures by 5.23 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 1.33, residual support = 5.43:
          QD1   LEU   73 - HB2   CYS   21   3.75 +/- 0.17  96.740% * 93.6366% (0.80   1.33   5.43) =  99.976%  kept
          QD2   LEU   80 - HB2   CYS   21   7.77 +/- 0.69   1.569% *  0.7214% (0.41   0.02   0.02) =   0.012%
          QG2   VAL   41 - HB2   CYS   21   8.25 +/- 0.62   0.985% *  0.6585% (0.38   0.02   0.02) =   0.007%
          QD1   LEU   80 - HB2   CYS   21  10.13 +/- 1.05   0.387% *  0.3907% (0.22   0.02   0.02) =   0.002%
          QD2   LEU   98 - HB2   CYS   21  10.54 +/- 0.94   0.228% *  0.3907% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   CYS   21  13.69 +/- 0.77   0.043% *  1.4050% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   CYS   21  15.23 +/- 0.73   0.023% *  1.6198% (0.92   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   CYS   21  17.76 +/- 0.86   0.009% *  0.7867% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  16.31 +/- 0.87   0.015% *  0.3907% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.41, residual support = 27.3:
      O T HA    CYS   21 - HB2   CYS   21   2.91 +/- 0.11  99.990% * 97.4471% (0.92   2.41  27.33) = 100.000%  kept
          HA    TRP   49 - HB2   CYS   21  16.64 +/- 0.62   0.003% *  0.6688% (0.76   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  16.25 +/- 1.13   0.004% *  0.4955% (0.57   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  17.67 +/- 0.51   0.002% *  0.5308% (0.61   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   CYS   21  20.06 +/- 0.69   0.001% *  0.8578% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.613, support = 2.05, residual support = 4.66:
          HN    THR   23 - HB2   CYS   21   3.75 +/- 0.54  93.215% * 19.9873% (0.53   1.61   4.86) =  78.061%  kept
          HD2   HIS   22 - HB2   CYS   21   6.37 +/- 0.49   6.664% * 78.5720% (0.92   3.61   3.95) =  21.938%  kept
          HD1   TRP   49 - HB2   CYS   21  15.70 +/- 1.18   0.024% *  0.4674% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   CYS   21  14.77 +/- 1.26   0.040% *  0.2481% (0.53   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   CYS   21  14.90 +/- 0.73   0.036% *  0.2295% (0.49   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   CYS   21  17.12 +/- 0.91   0.016% *  0.4229% (0.90   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  20.22 +/- 0.71   0.005% *  0.0728% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.34, residual support = 27.3:
      O   HN    CYS   21 - HB2   CYS   21   2.76 +/- 0.47  99.963% * 98.9883% (0.95   3.34  27.33) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  11.46 +/- 0.29   0.031% *  0.3796% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  17.69 +/- 0.79   0.002% *  0.1932% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  16.21 +/- 0.46   0.003% *  0.1096% (0.18   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  22.16 +/- 1.01   0.000% *  0.3293% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.271, support = 0.017, residual support = 0.017:
          QB    LYS+  33 - HB3   CYS   21   9.42 +/- 0.66  61.859% *  4.7734% (0.23   0.02   0.02) =  50.715%  kept
          HB    VAL   41 - HB3   CYS   21  11.39 +/- 1.15  22.001% *  9.0526% (0.44   0.02   0.02) =  34.208%  kept
          HG12  ILE  103 - HB3   CYS   21  16.97 +/- 0.89   1.855% * 11.2053% (0.55   0.02   0.02) =   3.570%
          QB    LYS+  81 - HB3   CYS   21  14.34 +/- 0.51   5.377% *  3.1155% (0.15   0.02   0.02) =   2.877%
          QB    LYS+  66 - HB3   CYS   21  18.11 +/- 0.61   1.232% *  6.2738% (0.31   0.02   0.02) =   1.328%
          HB3   ASP- 105 - HB3   CYS   21  18.67 +/- 0.64   1.039% *  6.2738% (0.31   0.02   0.02) =   1.120%
          HB3   PRO   52 - HB3   CYS   21  21.53 +/- 0.81   0.436% * 13.7167% (0.67   0.02   0.02) =   1.027%
          QB    LYS+ 106 - HB3   CYS   21  16.70 +/- 0.68   2.074% *  2.7693% (0.14   0.02   0.02) =   0.987%
          HB    ILE  103 - HB3   CYS   21  19.64 +/- 0.71   0.764% *  7.3624% (0.36   0.02   0.02) =   0.966%
          HG2   ARG+  54 - HB3   CYS   21  19.56 +/- 0.79   0.818% *  6.8115% (0.33   0.02   0.02) =   0.957%
          HG3   PRO   68 - HB3   CYS   21  20.34 +/- 0.62   0.607% *  7.9226% (0.39   0.02   0.02) =   0.826%
          HG2   PRO   93 - HB3   CYS   21  18.47 +/- 0.73   1.120% *  3.1155% (0.15   0.02   0.02) =   0.600%
          HB3   GLN   90 - HB3   CYS   21  20.29 +/- 0.72   0.654% *  3.8908% (0.19   0.02   0.02) =   0.437%
          HG    LEU  123 - HB3   CYS   21  25.41 +/- 0.82   0.162% * 13.7167% (0.67   0.02   0.02) =   0.382%
    Distance limit 4.37 A violated in 20 structures by 4.55 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.596, support = 2.0, residual support = 2.72:
          QG2   THR   26 - HB3   CYS   21   3.30 +/- 0.31  98.536% * 95.4718% (0.60   2.00   2.72) =  99.983%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.18 +/- 0.55   1.442% *  1.0982% (0.69   0.02   9.82) =   0.017%
          HG2   LYS+  65 - HB3   CYS   21  17.14 +/- 1.41   0.007% *  0.8813% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   CYS   21  16.04 +/- 0.79   0.010% *  0.6231% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  19.98 +/- 0.71   0.002% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  24.11 +/- 0.82   0.001% *  0.7992% (0.50   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  22.93 +/- 0.99   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  22.88 +/- 0.58   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.55, support = 1.33, residual support = 5.43:
          QD1   LEU   73 - HB3   CYS   21   3.51 +/- 0.35  98.191% * 93.6366% (0.55   1.33   5.43) =  99.987%  kept
          QD2   LEU   80 - HB3   CYS   21   8.31 +/- 0.52   0.783% *  0.7214% (0.28   0.02   0.02) =   0.006%
          QG2   VAL   41 - HB3   CYS   21   8.26 +/- 0.63   0.659% *  0.6585% (0.26   0.02   0.02) =   0.005%
          QD1   LEU   80 - HB3   CYS   21  10.70 +/- 0.82   0.171% *  0.3907% (0.15   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   CYS   21  10.72 +/- 0.97   0.144% *  0.3907% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   CYS   21  14.41 +/- 0.59   0.023% *  1.4050% (0.55   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   CYS   21  15.81 +/- 0.59   0.013% *  1.6198% (0.63   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   CYS   21  16.46 +/- 0.79   0.010% *  0.3907% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   CYS   21  18.67 +/- 0.61   0.005% *  0.7867% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.33, residual support = 27.3:
      O   HN    CYS   21 - HB3   CYS   21   3.47 +/- 0.18  99.839% * 98.9850% (0.65   3.33  27.33) =  99.999%  kept
          HN    LYS+  33 - HB3   CYS   21  10.41 +/- 0.43   0.142% *  0.3809% (0.42   0.02   0.02) =   0.001%
          HN    SER   37 - HB3   CYS   21  15.38 +/- 0.55   0.014% *  0.1100% (0.12   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  18.92 +/- 0.80   0.004% *  0.1938% (0.21   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  23.10 +/- 0.66   0.001% *  0.3304% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.525, support = 0.748, residual support = 1.5:
          HN    TRP   27 - HB3   CYS   21   3.44 +/- 0.38  99.935% * 88.5434% (0.52   0.75   1.50) =  99.999%  kept
          HN    GLU-  36 - HB3   CYS   21  14.51 +/- 0.43   0.022% *  1.7539% (0.39   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   CYS   21  16.22 +/- 0.67   0.012% *  2.9306% (0.65   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   CYS   21  15.96 +/- 0.72   0.014% *  1.0567% (0.23   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   CYS   21  18.44 +/- 0.88   0.005% *  2.8598% (0.63   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  18.36 +/- 0.53   0.005% *  1.2736% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  19.44 +/- 0.94   0.004% *  1.1627% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  21.56 +/- 1.37   0.002% *  0.4193% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.412, support = 2.32, residual support = 4.69:
          HN    THR   23 - HB3   CYS   21   3.58 +/- 0.46  93.619% * 22.5787% (0.36   1.98   4.86) =  81.501%  kept
          HD2   HIS   22 - HB3   CYS   21   6.01 +/- 0.36   6.304% * 76.0994% (0.63   3.81   3.95) =  18.498%  kept
          HD21  ASN   35 - HB3   CYS   21  14.18 +/- 1.24   0.041% *  0.2276% (0.36   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  16.99 +/- 1.15   0.010% *  0.4288% (0.68   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.39 +/- 0.62   0.010% *  0.3880% (0.62   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   CYS   21  16.10 +/- 0.53   0.014% *  0.2106% (0.33   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  21.42 +/- 0.49   0.003% *  0.0668% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.38, residual support = 27.3:
      O T HA    CYS   21 - HB3   CYS   21   2.30 +/- 0.09  99.998% * 97.4097% (0.63   2.38  27.33) = 100.000%  kept
          HA    TRP   49 - HB3   CYS   21  17.92 +/- 0.64   0.000% *  0.6786% (0.52   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  17.71 +/- 1.14   0.001% *  0.5027% (0.39   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   CYS   21  20.22 +/- 0.69   0.000% *  0.8704% (0.67   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  19.09 +/- 0.35   0.000% *  0.5386% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.622, support = 3.39, residual support = 29.5:
      O   HD2   HIS   22 - HB2   HIS   22   3.91 +/- 0.04  67.948% * 44.0886% (0.74   2.36  32.97) =  63.140%  kept
          HN    THR   23 - HB2   HIS   22   4.43 +/- 0.09  31.985% * 54.6757% (0.42   5.14  23.66) =  36.860%  kept
          HD1   TRP   49 - HB2   HIS   22  13.36 +/- 1.61   0.054% *  0.4009% (0.79   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  18.58 +/- 0.67   0.006% *  0.1969% (0.39   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  22.19 +/- 0.43   0.002% *  0.3628% (0.72   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  21.03 +/- 1.19   0.003% *  0.2128% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  21.93 +/- 0.61   0.002% *  0.0624% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.88, support = 3.21, residual support = 32.2:
      O   HD2   HIS   22 - HB3   HIS   22   2.89 +/- 0.22  79.446% * 72.6068% (0.95   2.97  32.97) =  91.478%  kept
          HN    THR   23 - HB3   HIS   22   3.65 +/- 0.20  20.547% * 26.1524% (0.18   5.78  23.66) =   8.522%  kept
          HD1   TRP   49 - HB3   HIS   22  14.99 +/- 1.53   0.005% *  0.4319% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  19.97 +/- 1.16   0.001% *  0.4774% (0.92   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.83 +/- 0.41   0.000% *  0.2517% (0.49   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  19.17 +/- 0.59   0.001% *  0.0798% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 3.34, residual support = 23.7:
          QG2   THR   23 - HB3   HIS   22   3.32 +/- 0.30  99.936% * 96.0077% (0.34   3.34  23.66) =  99.999%  kept
          QG2   THR   77 - HB3   HIS   22  11.71 +/- 0.42   0.059% *  1.6692% (0.99   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   HIS   22  19.11 +/- 0.63   0.003% *  1.2229% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  24.84 +/- 1.28   0.001% *  0.6320% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  24.71 +/- 0.69   0.001% *  0.4682% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.2, residual support = 12.7:
          HN    ALA   47 - HB    THR   46   3.96 +/- 0.13  94.917% * 98.4522% (0.38   3.21  12.66) =  99.916%  kept
          QD    PHE   95 - HB    THR   46   6.57 +/- 0.46   5.083% *  1.5478% (0.95   0.02   0.02) =   0.084%
    Distance limit 4.67 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 = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.23 +/- 0.19  98.412% * 97.9705% (0.87   3.25  34.52) =  99.992%  kept
          HN    MET   92 - HB    THR   46   7.48 +/- 1.56   1.375% *  0.4775% (0.69   0.02   0.02) =   0.007%
          HN    LYS+  74 - HB    THR   46   9.22 +/- 0.47   0.185% *  0.6814% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HB    THR   46  12.84 +/- 0.60   0.028% *  0.3658% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  31.39 +/- 2.55   0.000% *  0.5048% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.466, support = 0.0181, residual support = 0.0181:
          QG2   THR   77 - HB2   HIS   22  10.87 +/- 0.50  39.588% * 17.3685% (0.64   0.02   0.02) =  64.553%  kept
          HB3   LEU   80 - HB2   HIS   22  10.41 +/- 0.61  51.412% *  5.4086% (0.20   0.02   0.02) =  26.106%  kept
          HB2   LEU   31 - HB2   HIS   22  15.07 +/- 0.17   5.570% *  8.1407% (0.30   0.02   0.02) =   4.257%
          QB    ALA   88 - HB2   HIS   22  18.05 +/- 0.68   1.891% * 21.6906% (0.80   0.02   0.02) =   3.851%
          HG2   LYS+  38 - HB2   HIS   22  25.99 +/- 1.24   0.234% * 18.1176% (0.67   0.02   0.02) =   0.398%
          HG2   LYS+  99 - HB2   HIS   22  25.53 +/- 0.68   0.235% * 15.7506% (0.58   0.02   0.02) =   0.348%
        T HB2   LEU   63 - HB2   HIS   22  20.48 +/- 0.63   0.880% *  3.7987% (0.14   0.02   0.02) =   0.314%
          HG2   LYS+ 111 - HB2   HIS   22  26.46 +/- 0.73   0.190% *  9.7246% (0.36   0.02   0.02) =   0.173%
    Distance limit 4.51 A violated in 20 structures by 4.92 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.97, residual support = 16.0:
      O   HN    CYS   21 - HA    ALA   20   2.20 +/- 0.00  99.998% * 98.8608% (0.95   2.97  15.97) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.83 +/- 0.25   0.002% *  0.4275% (0.61   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.57 +/- 0.53   0.000% *  0.3708% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.81 +/- 0.53   0.000% *  0.1234% (0.18   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  19.83 +/- 0.66   0.000% *  0.2175% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.38 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   8.21 +/- 0.26 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.60 A violated in 20 structures by 4.60 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.573, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   3.90 +/- 0.48  99.796% * 18.5628% (0.57   0.02   0.02) =  99.827%  kept
          HB3   PHE   45 - HA    HIS   22  11.82 +/- 0.56   0.168% * 13.7211% (0.42   0.02   0.02) =   0.124%
          QG    GLN   32 - HA    HIS   22  16.40 +/- 0.80   0.023% * 27.4474% (0.85   0.02   0.02) =   0.034%
          HB    VAL  107 - HA    HIS   22  20.11 +/- 1.01   0.007% * 26.5475% (0.82   0.02   0.02) =   0.010%
          QE    LYS+ 112 - HA    HIS   22  20.33 +/- 0.78   0.006% * 13.7211% (0.42   0.02   0.02) =   0.005%
    Distance limit 3.73 A violated in 13 structures by 0.28 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.285, support = 0.018, residual support = 0.018:
          HD2   LYS+  74 - HA    HIS   22   8.66 +/- 0.58  60.876% *  2.4048% (0.17   0.02   0.02) =  40.925%  kept
        T HB2   LEU   73 - HA    HIS   22  10.00 +/- 1.19  29.249% *  3.8178% (0.26   0.02   0.02) =  31.216%  kept
          HB    VAL   83 - HA    HIS   22  13.04 +/- 0.70   5.797% * 10.9951% (0.76   0.02   0.02) =  17.818%  kept
          HG3   PRO   93 - HA    HIS   22  16.61 +/- 0.70   1.320% * 11.4693% (0.79   0.02   0.02) =   4.232%
          QD    LYS+  65 - HA    HIS   22  18.10 +/- 0.87   0.778% *  9.9709% (0.69   0.02   0.02) =   2.169%
          HB3   MET   92 - HA    HIS   22  16.74 +/- 1.52   1.230% *  5.6451% (0.39   0.02   0.02) =   1.941%
          QD    LYS+  38 - HA    HIS   22  23.50 +/- 1.38   0.172% * 12.6755% (0.87   0.02   0.02) =   0.609%
          QD    LYS+ 102 - HA    HIS   22  24.74 +/- 0.84   0.116% * 13.2516% (0.91   0.02   0.02) =   0.431%
          HB2   LYS+ 121 - HA    HIS   22  26.14 +/- 0.66   0.082% *  9.4321% (0.65   0.02   0.02) =   0.215%
          HD2   LYS+ 111 - HA    HIS   22  26.27 +/- 0.52   0.079% *  7.2243% (0.50   0.02   0.02) =   0.159%
          QD    LYS+ 106 - HA    HIS   22  21.56 +/- 0.91   0.259% *  2.1187% (0.15   0.02   0.02) =   0.154%
          HB2   LEU  123 - HA    HIS   22  29.22 +/- 0.66   0.042% * 10.9951% (0.76   0.02   0.02) =   0.129%
    Distance limit 3.97 A violated in 20 structures by 4.03 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.385, support = 0.0198, residual support = 0.0198:
          HN    ILE   19 - HA    HIS   22  10.92 +/- 0.08  97.995% * 67.5049% (0.39   0.02   0.02) =  99.025%  kept
          HN    LEU   40 - HA    HIS   22  20.91 +/- 0.46   2.005% * 32.4951% (0.19   0.02   0.02) =   0.975%
    Distance limit 4.06 A violated in 20 structures by 6.86 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 = 5.19, residual support = 25.5:
      O   HN    VAL   24 - HA    THR   23   2.20 +/- 0.05 100.000% *100.0000% (0.64   5.19  25.46) = 100.000%  kept
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 31.51 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.39, residual support = 25.5:
          HN    VAL   24 - HB    THR   23   3.44 +/- 0.10 100.000% *100.0000% (0.49   5.39  25.46) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.726, support = 4.8, residual support = 19.3:
          HN    THR   23 - QG2   THR   23   3.35 +/- 0.36  88.529% * 96.7849% (0.73   4.80  19.35) =  99.974%  kept
          HD2   HIS   22 - QG2   THR   23   5.58 +/- 0.45   4.221% *  0.4244% (0.76   0.02  23.66) =   0.021%
          HD1   TRP   49 - QB    ALA   91   6.66 +/- 2.06   5.361% *  0.0524% (0.09   0.02   0.02) =   0.003%
          HN    LEU   67 - QG2   THR   39   8.74 +/- 0.78   0.351% *  0.1225% (0.22   0.02   0.02) =   0.001%
          HE3   TRP   27 - QG2   THR   23   8.80 +/- 0.37   0.287% *  0.1236% (0.22   0.02   2.32) =   0.000%
          HD21  ASN   35 - QG2   THR   39   9.37 +/- 1.25   0.451% *  0.0422% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91   8.26 +/- 0.20   0.447% *  0.0401% (0.07   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  13.24 +/- 1.30   0.032% *  0.4981% (0.90   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  16.98 +/- 0.62   0.006% *  0.3815% (0.69   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  11.16 +/- 0.67   0.083% *  0.0275% (0.05   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  10.49 +/- 1.33   0.125% *  0.0162% (0.03   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  15.91 +/- 1.01   0.009% *  0.1894% (0.34   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  14.68 +/- 0.47   0.015% *  0.0849% (0.15   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  20.40 +/- 0.60   0.002% *  0.5504% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  15.60 +/- 0.75   0.011% *  0.0898% (0.16   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  16.18 +/- 0.93   0.009% *  0.0945% (0.17   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  14.45 +/- 0.69   0.016% *  0.0424% (0.08   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  16.03 +/- 1.31   0.009% *  0.0446% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  13.33 +/- 0.50   0.027% *  0.0130% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  20.64 +/- 0.54   0.002% *  0.1544% (0.28   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  19.68 +/- 0.57   0.002% *  0.0579% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  24.04 +/- 0.92   0.001% *  0.1109% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.97 +/- 0.59   0.002% *  0.0344% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  21.71 +/- 1.69   0.002% *  0.0199% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.84, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   3.51 +/- 0.33  99.993% * 91.4945% (0.34   1.84  10.83) = 100.000%  kept
          HG3   MET   96 - HA    VAL   83  19.79 +/- 1.52   0.004% *  2.9229% (1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    VAL   83  20.72 +/- 0.74   0.003% *  0.6507% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  28.93 +/- 0.92   0.000% *  2.6981% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  30.50 +/- 0.55   0.000% *  2.2337% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.8:
        T HB2   ASP-  86 - HA    VAL   83   2.63 +/- 0.36  99.980% * 96.7689% (0.98   2.25  10.83) = 100.000%  kept
          HB2   ASP-  78 - HA    VAL   83  11.54 +/- 0.47   0.017% *  0.2440% (0.28   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    VAL   83  16.32 +/- 0.75   0.002% *  0.7870% (0.90   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  24.69 +/- 1.26   0.000% *  0.7027% (0.80   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  24.27 +/- 1.18   0.000% *  0.6372% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  28.54 +/- 1.07   0.000% *  0.8602% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 4.73, residual support = 87.4:
      O   HN    VAL   83 - HA    VAL   83   2.87 +/- 0.01  99.994% * 98.9834% (0.57   4.73  87.42) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  17.31 +/- 0.63   0.002% *  0.7129% (0.97   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  15.83 +/- 0.80   0.004% *  0.3037% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.05 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   3.17 +/- 0.04  99.996% * 97.0740% (0.95   2.25  10.83) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  20.43 +/- 0.58   0.001% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  18.81 +/- 0.68   0.002% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  25.88 +/- 1.31   0.000% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  28.63 +/- 1.56   0.000% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  33.84 +/- 2.21   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.726, support = 4.31, residual support = 18.6:
          HD1   TRP   87 - HA    VAL   83   3.35 +/- 0.30  99.502% * 97.6674% (0.73   4.31  18.65) =  99.999%  kept
          HE3   TRP   87 - HA    VAL   83   8.30 +/- 0.28   0.443% *  0.1734% (0.28   0.02  18.65) =   0.001%
          HN    ALA   91 - HA    VAL   83  12.34 +/- 0.20   0.044% *  0.4034% (0.65   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    VAL   83  16.02 +/- 0.64   0.009% *  0.5899% (0.95   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   83  26.07 +/- 0.41   0.000% *  0.3531% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   83  29.29 +/- 0.75   0.000% *  0.4766% (0.76   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  26.78 +/- 0.99   0.000% *  0.2127% (0.34   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   83  26.87 +/- 1.50   0.000% *  0.1234% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.65, support = 0.0193, residual support = 0.723:
          QD1   LEU   73 - HA    VAL   24   5.10 +/- 0.08  47.344% * 18.0866% (0.80   0.02   0.02) =  64.908%  kept
          QD2   LEU   80 - HA    VAL   24   5.16 +/- 0.30  44.865% *  9.2860% (0.41   0.02   2.25) =  31.580%  kept
          QD1   LEU   80 - HA    VAL   24   7.43 +/- 0.48   5.125% *  5.0287% (0.22   0.02   2.25) =   1.954%
          QG2   VAL   41 - HA    VAL   24   9.00 +/- 0.55   1.730% *  8.4773% (0.38   0.02   0.02) =   1.112%
          QD2   LEU   98 - HA    VAL   24  10.30 +/- 0.88   0.811% *  5.0287% (0.22   0.02   0.02) =   0.309%
          QD1   LEU   63 - HA    VAL   24  15.99 +/- 0.44   0.051% * 18.0866% (0.80   0.02   0.02) =   0.070%
          QD2   LEU   63 - HA    VAL   24  17.64 +/- 0.48   0.028% * 20.8508% (0.92   0.02   0.02) =   0.045%
          QD1   LEU  104 - HA    VAL   24  17.34 +/- 0.70   0.032% *  5.0287% (0.22   0.02   0.02) =   0.012%
          QD2   LEU  115 - HA    VAL   24  19.89 +/- 0.49   0.014% * 10.1266% (0.45   0.02   0.02) =   0.011%
    Distance limit 3.46 A violated in 20 structures by 1.10 A, eliminated.
    Peak unassigned.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.6:
      O T HB    VAL   24 - HA    VAL   24   2.81 +/- 0.29  99.962% * 98.4936% (1.00   3.97  65.58) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.81 +/- 0.24   0.036% *  0.4920% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  20.54 +/- 0.81   0.001% *  0.4306% (0.87   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  22.79 +/- 0.34   0.000% *  0.4306% (0.87   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  20.54 +/- 0.84   0.001% *  0.0766% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  23.50 +/- 0.41   0.000% *  0.0766% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 22.1:
        T HB3   TRP   27 - HA    VAL   24   3.64 +/- 0.08  99.963% * 98.1491% (1.00   3.00  22.15) = 100.000%  kept
          HB2   PHE   97 - HA    VAL   24  17.72 +/- 0.63   0.008% *  0.6500% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  16.72 +/- 0.51   0.011% *  0.2940% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  18.17 +/- 0.90   0.007% *  0.4242% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  18.01 +/- 0.66   0.007% *  0.3192% (0.49   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  19.87 +/- 0.84   0.004% *  0.1635% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.6:
      O   HN    VAL   24 - HA    VAL   24   2.77 +/- 0.02 100.000% *100.0000% (0.97   4.34  65.58) = 100.000%  kept
    Distance limit 3.85 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 = 0.854, support = 5.53, residual support = 35.0:
      O   HN    GLU-  25 - HA    VAL   24   3.59 +/- 0.03  70.744% * 66.0978% (0.92   5.64  39.64) =  82.681%  kept
          HN    ASN   28 - HA    VAL   24   4.17 +/- 0.07  29.095% * 33.6618% (0.53   5.04  13.03) =  17.318%  kept
          HN    ASP-  44 - HA    VAL   24  10.01 +/- 0.45   0.160% *  0.2403% (0.95   0.02   0.02) =   0.001%
    Distance limit 4.15 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 = 3.16, residual support = 22.1:
          HN    TRP   27 - HA    VAL   24   3.19 +/- 0.09  99.965% * 94.8686% (0.45   3.16  22.15) = 100.000%  kept
          HD1   TRP   87 - HA    VAL   24  14.21 +/- 1.00   0.014% *  1.3258% (0.99   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   24  15.48 +/- 0.16   0.008% *  1.1603% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  18.04 +/- 0.54   0.003% *  1.3112% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  19.17 +/- 1.08   0.002% *  0.9188% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  16.43 +/- 0.77   0.006% *  0.2343% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  18.75 +/- 0.50   0.002% *  0.1810% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.38, residual support = 65.6:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  99.987% * 96.9149% (0.98   3.38  65.58) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  10.91 +/- 0.29   0.005% *  0.3308% (0.57   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.00 +/- 0.35   0.005% *  0.0791% (0.14   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.62 +/- 0.79   0.000% *  0.4242% (0.73   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.43 +/- 0.51   0.001% *  0.1818% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.89 +/- 0.47   0.000% *  0.2509% (0.43   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  13.90 +/- 0.49   0.001% *  0.0468% (0.08   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  21.03 +/- 0.83   0.000% *  0.3387% (0.58   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.50 +/- 0.60   0.000% *  0.1957% (0.33   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  24.09 +/- 1.17   0.000% *  0.3456% (0.59   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  27.39 +/- 1.17   0.000% *  0.5842% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  25.05 +/- 0.99   0.000% *  0.3074% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 3.46, residual support = 65.6:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.01  99.997% * 97.9930% (1.00   3.46  65.58) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  12.78 +/- 0.65   0.002% *  0.3293% (0.58   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.62 +/- 0.79   0.000% *  0.1264% (0.22   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  20.69 +/- 0.26   0.000% *  0.3352% (0.59   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  22.94 +/- 0.83   0.000% *  0.5566% (0.98   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.89 +/- 0.47   0.000% *  0.0748% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  26.19 +/- 1.24   0.000% *  0.3674% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  24.62 +/- 1.11   0.000% *  0.2173% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.8, support = 0.749, residual support = 2.25:
          QD2   LEU   80 - HB    VAL   24   3.52 +/- 0.26  96.004% * 82.6308% (0.80   0.75   2.25) =  99.907%  kept
          QG1   VAL   83 - HB    VAL   24   6.88 +/- 0.64   2.379% *  2.3870% (0.87   0.02   0.02) =   0.072%
          QD1   LEU   73 - HB    VAL   24   7.32 +/- 0.33   1.267% *  1.1313% (0.41   0.02   0.02) =   0.018%
          QG2   ILE   89 - HB    VAL   24  10.68 +/- 1.06   0.174% *  0.6862% (0.25   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   PRO   68  12.72 +/- 0.60   0.049% *  1.5709% (0.57   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   PRO   68  11.77 +/- 0.33   0.074% *  0.6692% (0.24   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB2   PRO   68  14.11 +/- 0.29   0.025% *  0.6692% (0.24   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  15.91 +/- 0.38   0.012% *  1.2440% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  18.98 +/- 0.90   0.004% *  2.6557% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  17.66 +/- 0.68   0.006% *  1.1313% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  21.26 +/- 0.81   0.002% *  2.1030% (0.76   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  23.40 +/- 0.88   0.001% *  1.3034% (0.47   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  27.13 +/- 0.48   0.000% *  1.4120% (0.51   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  24.77 +/- 0.55   0.001% *  0.4059% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 65.6:
      O T HA    VAL   24 - HB    VAL   24   2.81 +/- 0.29  86.387% * 98.7587% (0.90   3.97  65.58) =  99.991%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.95 +/- 0.19  13.607% *  0.0575% (0.10   0.02  36.26) =   0.009%
          HA    LYS+  38 - HB2   PRO   68  16.14 +/- 1.56   0.005% *  0.2944% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.26 +/- 0.76   0.001% *  0.4977% (0.90   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  22.79 +/- 0.34   0.000% *  0.2944% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  25.75 +/- 0.57   0.000% *  0.0972% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 3.38, residual support = 65.6:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.02  99.992% * 97.6911% (0.92   3.38  65.58) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24  10.58 +/- 0.29   0.006% *  0.6035% (0.97   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  18.58 +/- 1.02   0.000% *  0.4045% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  16.66 +/- 1.40   0.000% *  0.1930% (0.31   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  21.03 +/- 0.83   0.000% *  0.6198% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.66 +/- 1.63   0.000% *  0.1559% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  20.26 +/- 1.30   0.000% *  0.1930% (0.31   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  25.51 +/- 3.10   0.000% *  0.1392% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.482, support = 5.9, residual support = 37.8:
          HN    GLU-  25 - HB    VAL   24   3.18 +/- 0.60  70.511% * 70.3712% (0.53   5.86  39.64) =  86.348%  kept
      O   HN    ASN   69 - HB2   PRO   68   3.85 +/- 0.41  27.744% * 28.2497% (0.20   6.14  26.15) =  13.639%  kept
          HN    ASN   28 - HB    VAL   24   5.94 +/- 0.14   1.705% *  0.4212% (0.92   0.02  13.03) =   0.012%
          HN    ASP-  44 - HB    VAL   24  12.02 +/- 0.70   0.035% *  0.2583% (0.57   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.51 +/- 0.32   0.004% *  0.1528% (0.33   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  21.58 +/- 0.42   0.001% *  0.2491% (0.55   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.97 +/- 0.51   0.000% *  0.1556% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.24 +/- 0.38   0.000% *  0.1420% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.6:
      O   HN    VAL   24 - HB    VAL   24   2.34 +/- 0.17 100.000% * 99.7477% (0.38   4.68  65.58) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  24.88 +/- 0.35   0.000% *  0.2523% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 65.6:
          HN    VAL   24 - QG1   VAL   24   2.24 +/- 0.27 100.000% *100.0000% (0.73   4.08  65.58) = 100.000%  kept
    Distance limit 3.56 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 = 0.411, support = 6.2, residual support = 127.3:
      O   HN    GLU-  25 - HB2   GLU-  25   2.59 +/- 0.45  98.210% * 98.5480% (0.41   6.20 127.33) =  99.986%  kept
          HN    ASN   28 - HB2   GLU-  25   5.51 +/- 0.19   1.787% *  0.7583% (0.98   0.02   3.97) =   0.014%
          HN    ASP-  44 - HB2   GLU-  25  15.45 +/- 0.46   0.003% *  0.3468% (0.45   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  24.70 +/- 0.37   0.000% *  0.3468% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.411, support = 6.0, residual support = 127.3:
      O   HN    GLU-  25 - HB3   GLU-  25   2.75 +/- 0.69  96.557% * 98.5009% (0.41   6.00 127.33) =  99.972%  kept
          HN    ASN   28 - HB3   GLU-  25   5.55 +/- 0.22   3.437% *  0.7829% (0.98   0.02   3.97) =   0.028%
          HN    ASP-  44 - HB3   GLU-  25  15.73 +/- 0.50   0.005% *  0.3581% (0.45   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.96 +/- 0.32   0.000% *  0.3581% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 5.27, residual support = 28.7:
          HN    THR   26 - HB3   GLU-  25   3.25 +/- 0.15  99.997% * 98.7470% (0.34   5.27  28.66) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  18.95 +/- 0.39   0.003% *  0.8403% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  31.17 +/- 0.82   0.000% *  0.4127% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 2.0, residual support = 2.0:
          HN    SER   85 - HA    SER   82   3.69 +/- 0.08  98.150% * 88.7687% (0.26   2.00   2.00) =  99.974%  kept
          HN    GLN   32 - HA    GLU-  25   9.03 +/- 0.19   0.468% *  3.4222% (1.00   0.02   0.02) =   0.018%
          HN    LEU   80 - HA    SER   82   7.75 +/- 0.21   1.194% *  0.3422% (0.10   0.02   0.32) =   0.005%
          HN    LEU   80 - HA    GLU-  25  11.52 +/- 0.21   0.107% *  1.0563% (0.31   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.64 +/- 0.18   0.062% *  1.4069% (0.41   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLU-  25  16.63 +/- 0.51   0.012% *  2.7403% (0.80   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   82  23.68 +/- 0.66   0.001% *  1.1086% (0.32   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  24.20 +/- 0.56   0.001% *  0.5280% (0.15   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  20.93 +/- 1.00   0.003% *  0.1710% (0.05   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  26.40 +/- 0.52   0.001% *  0.4558% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.508, support = 5.43, residual support = 106.4:
      O   HN    GLU-  25 - HA    GLU-  25   2.72 +/- 0.03  83.647% * 48.5923% (0.41   6.00 127.33) =  83.050%  kept
          HN    ASN   28 - HA    GLU-  25   3.58 +/- 0.08  16.342% * 50.7624% (0.98   2.63   3.97) =  16.950%  kept
          HN    ASP-  44 - HA    GLU-  25  14.28 +/- 0.38   0.004% *  0.1767% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    SER   82  13.66 +/- 0.39   0.005% *  0.0525% (0.13   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  17.67 +/- 0.46   0.001% *  0.1251% (0.32   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.57 +/- 0.23   0.000% *  0.1767% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  20.04 +/- 0.44   0.001% *  0.0572% (0.15   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  34.09 +/- 0.40   0.000% *  0.0572% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.394, support = 2.85, residual support = 5.19:
          HN    ALA   84 - HA    SER   82   4.52 +/- 0.11  52.017% * 46.7236% (0.20   4.22   6.33) =  51.782%  kept
          HD21  ASN   28 - HA    GLU-  25   4.58 +/- 0.09  47.517% * 47.6258% (0.61   1.39   3.97) =  48.216%  kept
          HE21  GLN   32 - HA    GLU-  25  12.01 +/- 1.65   0.236% *  0.2511% (0.22   0.02   0.02) =   0.001%
          HN    ALA   84 - HA    GLU-  25  14.36 +/- 0.57   0.051% *  0.6841% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    SER   82  12.19 +/- 0.23   0.134% *  0.1502% (0.13   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    GLU-  25  18.36 +/- 2.14   0.016% *  0.4637% (0.41   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    SER   82  17.35 +/- 0.75   0.017% *  0.2216% (0.20   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    GLU-  25  24.20 +/- 0.42   0.002% *  1.1180% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  25.20 +/- 0.39   0.002% *  1.0670% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  25.47 +/- 0.46   0.002% *  0.6841% (0.61   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  24.54 +/- 0.79   0.002% *  0.3456% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  24.93 +/- 0.98   0.002% *  0.2216% (0.20   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  29.62 +/- 0.57   0.001% *  0.3622% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  27.13 +/- 1.91   0.001% *  0.0813% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 1.22, residual support = 3.97:
          HB2   ASN   28 - HA    GLU-  25   2.92 +/- 0.13  97.629% * 91.5645% (0.99   1.22   3.97) =  99.990%  kept
          HB2   ASP-  86 - HA    SER   82   5.76 +/- 0.65   2.243% *  0.3565% (0.24   0.02   0.02) =   0.009%
          QE    LYS+  33 - HA    GLU-  25  13.08 +/- 1.14   0.014% *  1.5120% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    SER   82  10.11 +/- 0.28   0.058% *  0.2977% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  12.98 +/- 0.60   0.013% *  0.5687% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  12.79 +/- 0.31   0.014% *  0.2999% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  15.94 +/- 0.43   0.004% *  0.9191% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  25  17.12 +/- 0.80   0.003% *  1.1004% (0.73   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  12.33 +/- 0.47   0.018% *  0.0971% (0.06   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  17.80 +/- 0.64   0.002% *  0.4865% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  23.02 +/- 1.30   0.000% *  1.3988% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  25.78 +/- 1.23   0.000% *  0.4898% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  24.19 +/- 0.56   0.000% *  0.2051% (0.14   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  28.95 +/- 1.27   0.000% *  0.4531% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  26.70 +/- 1.06   0.000% *  0.1842% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  35.72 +/- 0.56   0.000% *  0.0664% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.289, support = 0.0179, residual support = 5.09:
          QB    ALA   84 - HA    SER   82   5.18 +/- 0.10  78.521% *  2.6264% (0.32   0.02   6.33) =  80.371%  kept
          HB2   LEU   31 - HA    GLU-  25   7.54 +/- 0.15   8.393% *  2.7903% (0.34   0.02   0.02) =   9.127%  kept
          HB3   LEU   80 - HA    SER   82   7.38 +/- 0.17   9.516% *  1.2898% (0.16   0.02   0.32) =   4.783%
          HB3   LEU   80 - HA    GLU-  25  10.10 +/- 0.46   1.494% *  3.9817% (0.49   0.02   0.02) =   2.319%
          HB3   LEU   73 - HA    GLU-  25  10.75 +/- 0.46   1.024% *  3.3630% (0.41   0.02   0.02) =   1.342%
          QB    ALA   84 - HA    GLU-  25  12.96 +/- 0.52   0.331% *  8.1077% (0.99   0.02   0.02) =   1.047%
          HG    LEU   98 - HA    GLU-  25  15.99 +/- 1.10   0.102% *  7.7381% (0.95   0.02   0.02) =   0.306%
          HG3   LYS+  33 - HA    GLU-  25  13.40 +/- 1.17   0.311% *  2.2744% (0.28   0.02   0.02) =   0.276%
          HB3   ASP-  44 - HA    GLU-  25  16.95 +/- 0.93   0.069% *  5.9400% (0.73   0.02   0.02) =   0.159%
          HB    VAL   42 - HA    GLU-  25  17.27 +/- 0.34   0.058% *  2.7903% (0.34   0.02   0.02) =   0.063%
          HB3   PRO   93 - HA    GLU-  25  21.40 +/- 0.81   0.016% *  8.1620% (1.00   0.02   0.02) =   0.052%
          HG3   LYS+ 106 - HA    GLU-  25  22.35 +/- 0.83   0.013% *  5.2918% (0.65   0.02   0.02) =   0.026%
          HB2   LEU   63 - HA    GLU-  25  22.64 +/- 0.51   0.011% *  4.9615% (0.61   0.02   0.02) =   0.022%
          HB3   PRO   93 - HA    SER   82  20.58 +/- 0.68   0.020% *  2.6440% (0.32   0.02   0.02) =   0.021%
          HG3   LYS+ 102 - HA    GLU-  25  22.49 +/- 1.42   0.013% *  3.6674% (0.45   0.02   0.02) =   0.018%
          HB3   ASP-  44 - HA    SER   82  21.46 +/- 0.85   0.016% *  1.9242% (0.24   0.02   0.02) =   0.012%
          HB3   LEU   73 - HA    SER   82  19.88 +/- 0.71   0.025% *  1.0894% (0.13   0.02   0.02) =   0.011%
          HG3   LYS+  65 - HA    GLU-  25  24.66 +/- 0.93   0.007% *  2.7903% (0.34   0.02   0.02) =   0.008%
          QB    ALA  124 - HA    GLU-  25  29.32 +/- 0.92   0.002% *  7.0957% (0.87   0.02   0.02) =   0.007%
          HG    LEU   98 - HA    SER   82  24.89 +/- 1.35   0.007% *  2.5067% (0.31   0.02   0.02) =   0.007%
          HB2   LEU   31 - HA    SER   82  21.34 +/- 0.73   0.017% *  0.9039% (0.11   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - HA    GLU-  25  27.16 +/- 0.90   0.004% *  2.2744% (0.28   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HA    GLU-  25  30.81 +/- 0.51   0.002% *  4.3037% (0.53   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HA    SER   82  27.17 +/- 1.56   0.004% *  1.7142% (0.21   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    SER   82  25.54 +/- 0.53   0.006% *  0.9039% (0.11   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    SER   82  28.39 +/- 0.59   0.003% *  1.6072% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    SER   82  25.91 +/- 1.21   0.005% *  0.7368% (0.09   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    SER   82  29.47 +/- 0.98   0.002% *  1.3942% (0.17   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    SER   82  27.92 +/- 0.94   0.003% *  0.7368% (0.09   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    SER   82  34.46 +/- 1.03   0.001% *  2.2986% (0.28   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    SER   82  31.78 +/- 1.86   0.002% *  1.1880% (0.15   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    SER   82  31.71 +/- 1.23   0.002% *  0.9039% (0.11   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 20 structures by 1.03 A, eliminated.
    Peak unassigned.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.684, support = 0.0184, residual support = 0.0184:
          QG2   VAL  108 - HA    GLU-  25  19.05 +/- 1.16  28.384% * 22.9376% (0.92   0.02   0.02) =  48.177%  kept
          HB2   LEU  104 - HA    GLU-  25  21.74 +/- 0.53  12.951% * 19.8967% (0.80   0.02   0.02) =  19.068%  kept
          QG2   VAL  108 - HA    SER   82  18.78 +/- 1.92  32.791% *  7.4304% (0.30   0.02   0.02) =  18.029%  kept
          QD1   ILE  119 - HA    GLU-  25  23.85 +/- 0.64   7.557% * 12.0948% (0.49   0.02   0.02) =   6.763%  kept
          HG    LEU   63 - HA    GLU-  25  24.70 +/- 0.67   6.064% *  5.5320% (0.22   0.02   0.02) =   2.482%
          HG3   LYS+ 112 - HA    GLU-  25  29.72 +/- 0.89   2.040% * 15.0711% (0.61   0.02   0.02) =   2.275%
          QD1   ILE  119 - HA    SER   82  26.44 +/- 0.74   3.999% *  3.9180% (0.16   0.02   0.02) =   1.159%
          HG3   LYS+ 112 - HA    SER   82  28.53 +/- 0.97   2.543% *  4.8821% (0.20   0.02   0.02) =   0.919%
          HB2   LEU  104 - HA    SER   82  29.94 +/- 0.91   1.860% *  6.4453% (0.26   0.02   0.02) =   0.887%
          HG    LEU   63 - HA    SER   82  30.13 +/- 0.75   1.812% *  1.7920% (0.07   0.02   0.02) =   0.240%
    Distance limit 4.47 A violated in 20 structures by 11.46 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.253, support = 2.05, residual support = 11.5:
          HB2   GLU-  29 - HA    THR   26   2.96 +/- 0.31  88.092% * 18.3431% (0.22   1.20   2.06) =  64.348%  kept
          HB2   GLU-  25 - HA    THR   26   4.36 +/- 0.47  11.887% * 75.3170% (0.31   3.57  28.66) =  35.652%  kept
          HB3   ASP-  76 - HA    THR   26  14.21 +/- 0.78   0.008% *  1.2272% (0.90   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  16.45 +/- 0.40   0.003% *  1.2272% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  15.14 +/- 1.32   0.006% *  0.5626% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  20.89 +/- 1.35   0.001% *  1.2945% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  18.64 +/- 0.41   0.002% *  0.6661% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  24.19 +/- 0.48   0.000% *  0.9400% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  23.22 +/- 1.99   0.000% *  0.4224% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.5, residual support = 28.4:
      O   HN    THR   26 - HA    THR   26   2.83 +/- 0.02  99.996% * 98.5363% (0.34   4.50  28.40) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  15.28 +/- 0.26   0.004% *  0.9816% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  30.21 +/- 0.57   0.000% *  0.4821% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.359, support = 1.22, residual support = 2.85:
          HN    GLU-  29 - HA    THR   26   3.00 +/- 0.06  94.231% * 12.2707% (0.22   0.90   2.06) =  70.570%  kept
          HN    GLN   30 - HA    THR   26   4.79 +/- 0.14   5.763% * 83.6728% (0.69   1.99   4.74) =  29.430%  kept
          HN    GLU-  14 - HA    THR   26  17.83 +/- 2.56   0.004% *  1.1981% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  19.52 +/- 0.52   0.001% *  1.0209% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  20.96 +/- 0.66   0.001% *  0.7414% (0.61   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  22.76 +/- 1.57   0.001% *  1.0962% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.375, support = 2.25, residual support = 14.3:
          HN    THR   23 - HB    THR   26   3.21 +/- 0.14  97.733% * 91.7939% (0.38   2.25  14.31) =  99.946%  kept
          HD2   HIS   22 - HB    THR   26   6.10 +/- 0.39   2.251% *  2.1548% (0.99   0.02   0.02) =   0.054%
          HD21  ASN   35 - HB    THR   26  15.17 +/- 1.09   0.010% *  1.4934% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  18.56 +/- 1.36   0.003% *  2.1548% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  21.22 +/- 0.39   0.001% *  1.6615% (0.76   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  19.59 +/- 0.56   0.002% *  0.7416% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 3.32, residual support = 19.8:
          HN    TRP   27 - HB    THR   26   2.92 +/- 0.10  99.989% * 97.4459% (0.84   3.32  19.80) = 100.000%  kept
          HN    GLU-  36 - HB    THR   26  15.47 +/- 0.17   0.005% *  0.3422% (0.49   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  18.42 +/- 0.51   0.002% *  0.6306% (0.90   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   26  18.82 +/- 1.24   0.002% *  0.6099% (0.87   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  20.48 +/- 0.57   0.001% *  0.3422% (0.49   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  19.99 +/- 0.65   0.001% *  0.2891% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  21.91 +/- 1.05   0.001% *  0.2170% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  22.64 +/- 1.65   0.001% *  0.1231% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 4.05, residual support = 28.4:
      O   HN    THR   26 - HB    THR   26   2.13 +/- 0.03  99.999% * 99.8101% (0.80   4.05  28.40) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.73 +/- 0.34   0.001% *  0.1899% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.175, support = 0.749, residual support = 2.71:
          HA    CYS   21 - QG2   THR   26   3.09 +/- 0.25  98.945% * 81.7100% (0.18   0.75   2.72) =  99.868%  kept
          HA    ALA   20 - QG2   THR   26   6.70 +/- 0.26   0.976% * 10.7923% (0.87   0.02   0.02) =   0.130%
          HA    LEU   71 - QG2   THR   26  10.38 +/- 0.27   0.076% *  1.9197% (0.15   0.02   0.02) =   0.002%
          HA    LYS+ 102 - QG2   THR   26  18.67 +/- 0.61   0.002% *  5.5780% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.815, support = 0.0182, residual support = 0.0182:
          HB2   GLU-  14 - QG2   THR   26  11.88 +/- 1.63  63.148% * 18.7520% (0.92   0.02   0.02) =  73.985%  kept
          HG2   MET   11 - QG2   THR   26  18.32 +/- 3.35   7.452% * 19.2160% (0.95   0.02   0.02) =   8.946%  kept
          HB2   PRO   93 - QG2   THR   26  16.57 +/- 0.68  10.193% * 12.3210% (0.61   0.02   0.02) =   7.847%  kept
          HG3   PRO   52 - QG2   THR   26  20.45 +/- 0.65   2.734% * 17.6208% (0.87   0.02   0.02) =   3.010%
          HG2   PRO   58 - QG2   THR   26  20.81 +/- 0.54   2.491% * 17.6208% (0.87   0.02   0.02) =   2.742%
          HB2   PRO   68 - QG2   THR   26  16.58 +/- 0.36   9.475% *  3.1343% (0.15   0.02   0.02) =   1.855%
          HB2   ARG+  54 - QG2   THR   26  20.80 +/- 0.64   2.503% *  6.2698% (0.31   0.02   0.02) =   0.980%
          HB    VAL  108 - QG2   THR   26  21.46 +/- 0.80   2.005% *  5.0653% (0.25   0.02   0.02) =   0.634%
    Distance limit 3.91 A violated in 20 structures by 7.44 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.99, support = 0.749, residual support = 4.73:
        T HG2   GLN   30 - QG2   THR   26   3.57 +/- 0.11  97.400% * 95.2595% (0.99   0.75   4.74) =  99.931%  kept
          HB3   ASN   28 - QG2   THR   26   6.55 +/- 0.12   2.595% *  2.4734% (0.97   0.02   0.02) =   0.069%
          QE    LYS+ 121 - QG2   THR   26  20.98 +/- 0.80   0.002% *  1.5545% (0.61   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  20.45 +/- 0.62   0.003% *  0.7126% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 36.5:
          QD1   LEU   73 - HB3   TRP   27   2.13 +/- 0.20  99.946% * 98.2994% (1.00   4.56  36.46) = 100.000%  kept
          QD2   LEU   80 - HB3   TRP   27   7.91 +/- 0.45   0.046% *  0.3453% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   TRP   27  13.79 +/- 0.44   0.002% *  0.4312% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   TRP   27  11.71 +/- 0.57   0.005% *  0.0755% (0.18   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  15.13 +/- 0.68   0.001% *  0.2441% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  15.25 +/- 0.50   0.001% *  0.2441% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  18.10 +/- 0.50   0.000% *  0.3602% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 22.1:
        T HA    VAL   24 - HB3   TRP   27   3.64 +/- 0.08  99.961% * 98.9044% (0.76   3.00  22.15) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  15.79 +/- 0.54   0.016% *  0.8457% (0.98   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27  16.25 +/- 0.59   0.013% *  0.1168% (0.14   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  16.92 +/- 0.77   0.010% *  0.1331% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 22.1:
          HA    VAL   24 - HB2   TRP   27   2.11 +/- 0.08  99.999% * 99.1878% (0.97   3.00  22.15) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  16.75 +/- 0.54   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  17.12 +/- 0.50   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  21.31 +/- 0.32   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.897, support = 4.56, residual support = 36.5:
          QD1   LEU   73 - HB2   TRP   27   3.49 +/- 0.13  97.933% * 97.8990% (0.90   4.56  36.46) =  99.990%  kept
          QD2   LEU   80 - HB2   TRP   27   6.82 +/- 0.34   1.894% *  0.4694% (0.98   0.02   0.02) =   0.009%
          QG1   VAL   83 - HB2   TRP   27  10.64 +/- 0.58   0.135% *  0.1797% (0.38   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   TRP   27  15.10 +/- 0.44   0.015% *  0.4295% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  16.25 +/- 0.67   0.010% *  0.4000% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  19.30 +/- 0.49   0.004% *  0.4746% (0.99   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  16.62 +/- 0.50   0.009% *  0.1478% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 3.28, residual support = 19.1:
          QD1   LEU   31 - HA    ASN   28   3.39 +/- 0.25 100.000% *100.0000% (0.76   3.28  19.09) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.43, residual support = 83.7:
      O T HA    GLU-  29 - HG3   GLU-  29   3.09 +/- 0.22  99.864% * 94.3193% (0.22   5.43  83.75) =  99.999%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.98 +/- 0.28   0.104% *  0.5325% (0.34   0.02   0.02) =   0.001%
          HB2   SER   37 - HG3   GLU-  29  15.18 +/- 1.04   0.010% *  1.5065% (0.97   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  17.02 +/- 0.66   0.005% *  1.0098% (0.65   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  15.12 +/- 0.77   0.012% *  0.3089% (0.20   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  19.11 +/- 1.18   0.003% *  1.0723% (0.69   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  18.02 +/- 0.73   0.003% *  0.2409% (0.15   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  30.73 +/- 0.79   0.000% *  1.0098% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 95.9:
      O   HD1   TRP   27 - HB2   TRP   27   3.02 +/- 0.03  94.653% * 98.5334% (0.98   3.66  95.94) =  99.971%  kept
          HE21  GLN   30 - HB2   TRP   27   5.25 +/- 1.11   5.343% *  0.5075% (0.92   0.02   0.02) =   0.029%
          QD    PHE   59 - HB2   TRP   27  16.98 +/- 0.86   0.003% *  0.5389% (0.98   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  19.97 +/- 0.86   0.001% *  0.4202% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 5.13, residual support = 95.9:
      O   HN    TRP   27 - HB2   TRP   27   2.01 +/- 0.00  99.998% * 98.1497% (0.76   5.13  95.94) = 100.000%  kept
          HN    GLU-  36 - HB2   TRP   27  13.93 +/- 0.16   0.001% *  0.2833% (0.57   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   TRP   27  16.11 +/- 0.95   0.000% *  0.4619% (0.92   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  16.29 +/- 0.56   0.000% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  17.57 +/- 0.72   0.000% *  0.2057% (0.41   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  17.70 +/- 0.50   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  18.20 +/- 1.07   0.000% *  0.1878% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  19.36 +/- 1.58   0.000% *  0.0677% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.923, support = 5.59, residual support = 49.3:
          HN    ASN   28 - HB2   TRP   27   3.27 +/- 0.04  90.417% * 99.5639% (0.92   5.59  49.28) =  99.994%  kept
          HN    GLU-  25 - HB2   TRP   27   4.77 +/- 0.07   9.383% *  0.0595% (0.15   0.02   0.02) =   0.006%
          HN    ASP-  44 - HB2   TRP   27   9.15 +/- 0.41   0.199% *  0.0676% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  19.42 +/- 0.29   0.002% *  0.3090% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.764, support = 3.88, residual support = 95.9:
      O   HE3   TRP   27 - HB3   TRP   27   2.33 +/- 0.00  99.026% * 97.3397% (0.76   3.89  95.94) =  99.994%  kept
          HN    THR   23 - HB3   TRP   27   5.10 +/- 0.16   0.925% *  0.6427% (0.98   0.02   2.32) =   0.006%
          HD2   HIS   22 - HB3   TRP   27   8.50 +/- 0.50   0.047% *  0.1460% (0.22   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  15.23 +/- 0.39   0.001% *  0.6499% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  17.38 +/- 0.36   0.001% *  0.4504% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  17.43 +/- 1.03   0.001% *  0.2237% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.28 +/- 0.34   0.000% *  0.5477% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.976, support = 4.07, residual support = 95.5:
      O   HD1   TRP   27 - HB3   TRP   27   3.93 +/- 0.00  50.058% * 98.6878% (0.98   4.09  95.94) =  99.543%  kept
          HE21  GLN   30 - HB3   TRP   27   4.16 +/- 1.08  49.926% *  0.4541% (0.92   0.02   0.02) =   0.457%
          QD    PHE   59 - HB3   TRP   27  15.66 +/- 0.87   0.013% *  0.4822% (0.98   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  20.06 +/- 0.80   0.003% *  0.3759% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 5.37, residual support = 95.9:
      O   HN    TRP   27 - HB3   TRP   27   3.18 +/- 0.04  99.952% * 98.2309% (0.76   5.37  95.94) = 100.000%  kept
          HN    GLU-  36 - HB3   TRP   27  13.33 +/- 0.20   0.019% *  0.2708% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   TRP   27  15.14 +/- 0.62   0.009% *  0.4525% (0.95   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   TRP   27  17.03 +/- 0.85   0.005% *  0.4416% (0.92   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  16.16 +/- 0.50   0.006% *  0.1632% (0.34   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  17.33 +/- 1.05   0.004% *  0.1795% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  17.58 +/- 0.70   0.004% *  0.1967% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  19.95 +/- 1.48   0.002% *  0.0647% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 6.07, residual support = 49.3:
          HN    ASN   28 - HB3   TRP   27   4.23 +/- 0.02  99.982% * 99.4976% (0.65   6.07  49.28) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  17.74 +/- 0.31   0.018% *  0.5024% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.55, residual support = 19.1:
          HN    LEU   31 - HA    ASN   28   2.96 +/- 0.04  99.945% * 95.0946% (0.22   3.55  19.09) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.03 +/- 0.38   0.023% *  2.3571% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  11.34 +/- 0.21   0.032% *  0.4211% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  24.50 +/- 0.41   0.000% *  1.4585% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  21.81 +/- 0.51   0.001% *  0.6686% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 4.0, residual support = 6.85:
          HN    GLN   30 - HA    ASN   28   4.15 +/- 0.05  97.846% * 92.7442% (0.18   4.00   6.85) =  99.984%  kept
          HN    ASN   35 - HA    ASN   28   7.94 +/- 0.30   2.053% *  0.5897% (0.22   0.02   0.02) =   0.013%
          HN    LYS+  99 - HA    ASN   28  13.88 +/- 0.59   0.073% *  2.4451% (0.92   0.02   0.02) =   0.002%
          HE1   HIS  122 - HA    ASN   28  18.88 +/- 1.96   0.013% *  2.2976% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASN   28  19.15 +/- 2.40   0.015% *  1.9234% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.8, residual support = 102.4:
      O   HN    ASN   28 - HB2   ASN   28   2.02 +/- 0.00  99.994% * 99.3224% (0.65   6.80 102.44) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  10.38 +/- 0.59   0.006% *  0.0909% (0.20   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  16.29 +/- 0.57   0.000% *  0.1392% (0.31   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  21.37 +/- 0.32   0.000% *  0.4475% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 3.85, residual support = 102.4:
      O   HD22  ASN   28 - HB3   ASN   28   4.15 +/- 0.01  99.975% * 99.8680% (0.98   3.85 102.44) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  16.52 +/- 0.24   0.025% *  0.1320% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.6, residual support = 102.4:
      O   HD21  ASN   28 - HB3   ASN   28   3.56 +/- 0.01  99.982% * 98.6787% (0.87   3.60 102.44) = 100.000%  kept
          QE    PHE   60 - HB3   ASN   28  15.89 +/- 0.41   0.013% *  0.4339% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASN   28  20.33 +/- 1.97   0.004% *  0.6192% (0.98   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  23.31 +/- 0.47   0.001% *  0.1575% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  25.96 +/- 0.36   0.001% *  0.1106% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.426, support = 5.33, residual support = 30.9:
          HN    GLU-  29 - HB3   ASN   28   3.06 +/- 0.14  95.734% * 45.8154% (0.45   5.61  32.51) =  95.095%  kept
          HN    GLN   30 - HB3   ASN   28   5.14 +/- 0.11   4.258% * 53.1341% (0.92   3.16   6.85) =   4.905%
          HN    LYS+  99 - HB3   ASN   28  16.25 +/- 0.62   0.005% *  0.2064% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  20.22 +/- 2.53   0.002% *  0.2919% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   ASN   28  20.69 +/- 0.70   0.001% *  0.3163% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  21.72 +/- 1.96   0.001% *  0.2359% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 6.64, residual support = 102.4:
      O   HN    ASN   28 - HB3   ASN   28   3.22 +/- 0.02  98.740% * 99.6327% (0.92   6.64 102.44) =  99.999%  kept
          HN    GLU-  25 - HB3   ASN   28   6.69 +/- 0.12   1.244% *  0.0501% (0.15   0.02   3.97) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  14.14 +/- 0.31   0.014% *  0.0569% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.11 +/- 0.35   0.001% *  0.2602% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.355, support = 0.0189, residual support = 6.49:
          HN    GLN   30 - HB2   ASN   28   5.43 +/- 0.11  90.568% *  7.8959% (0.38   0.02   6.85) =  94.714%  kept
          HN    LYS+  99 - HB2   ASN   35   9.69 +/- 0.63   3.053% *  6.5298% (0.31   0.02   0.02) =   2.641%
          HN    GLN   30 - HB2   ASN   35   8.65 +/- 0.57   5.954% *  2.4562% (0.12   0.02   0.02) =   1.937%
          HN    LYS+  99 - HB2   ASN   28  16.59 +/- 0.64   0.116% * 20.9915% (1.00   0.02   0.02) =   0.323%
          HN    GLU-  14 - HB2   ASN   28  20.65 +/- 2.49   0.043% * 19.9013% (0.95   0.02   0.02) =   0.112%
          HE1   HIS  122 - HB2   ASN   35  17.25 +/- 2.33   0.109% *  6.5298% (0.31   0.02   0.02) =   0.094%
          HE1   HIS  122 - HB2   ASN   28  21.54 +/- 1.90   0.026% * 20.9915% (1.00   0.02   0.02) =   0.073%
          HN    GLU-  14 - HB2   ASN   35  18.71 +/- 2.15   0.074% *  6.1907% (0.29   0.02   0.02) =   0.061%
          HN    ASP-  86 - HB2   ASN   28  19.07 +/- 0.68   0.050% *  6.4934% (0.31   0.02   0.02) =   0.043%
          HN    ASP-  86 - HB2   ASN   35  26.94 +/- 1.03   0.006% *  2.0199% (0.10   0.02   0.02) =   0.002%
    Distance limit 3.62 A violated in 20 structures by 1.81 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.64, residual support = 102.4:
      O   HD21  ASN   28 - HB2   ASN   28   2.54 +/- 0.10  99.955% * 97.8278% (0.61   3.64 102.44) = 100.000%  kept
          HD21  ASN   28 - HB2   ASN   35   9.54 +/- 0.57   0.039% *  0.1674% (0.19   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  15.17 +/- 0.38   0.002% *  0.8189% (0.92   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  15.18 +/- 0.61   0.002% *  0.2547% (0.29   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   28  19.09 +/- 1.95   0.001% *  0.7103% (0.80   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  24.63 +/- 1.58   0.000% *  0.2210% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 6.06, residual support = 26.0:
      O   HN    GLN   30 - HA    GLU-  29   3.60 +/- 0.01  96.679% * 96.5493% (0.49   6.06  26.05) =  99.997%  kept
          HN    GLN   30 - HA    GLN   32   7.04 +/- 0.12   1.727% *  0.0713% (0.11   0.02   1.05) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.34 +/- 0.29   1.372% *  0.0873% (0.13   0.02   0.10) =   0.001%
          HN    LYS+  99 - HA    GLN   32  11.72 +/- 0.64   0.086% *  0.1414% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  13.88 +/- 2.31   0.053% *  0.1778% (0.27   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.16 +/- 2.59   0.013% *  0.6484% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.50 +/- 0.56   0.036% *  0.1732% (0.26   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.80 +/- 0.49   0.009% *  0.6314% (0.96   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  21.66 +/- 1.84   0.002% *  0.6484% (0.99   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.11 +/- 2.32   0.008% *  0.1452% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  18.46 +/- 2.02   0.006% *  0.1778% (0.27   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  18.65 +/- 2.21   0.006% *  0.1452% (0.22   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  23.85 +/- 0.67   0.001% *  0.2690% (0.41   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  26.30 +/- 0.87   0.001% *  0.0602% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  29.42 +/- 0.68   0.000% *  0.0738% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.69, support = 5.76, residual support = 50.6:
          HN    GLN   30 - HB2   GLU-  29   2.76 +/- 0.18  38.460% * 67.7878% (0.90   5.73  26.05) =  57.410%  kept
      O   HN    GLU-  29 - HB2   GLU-  29   2.53 +/- 0.13  61.537% * 31.4307% (0.41   5.80  83.75) =  42.590%  kept
          HN    GLU-  14 - HB2   GLU-  29  15.63 +/- 2.59   0.002% *  0.2202% (0.84   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  17.87 +/- 0.46   0.001% *  0.1599% (0.61   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  21.28 +/- 1.59   0.000% *  0.1811% (0.69   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  23.27 +/- 0.72   0.000% *  0.2202% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.672, support = 5.29, residual support = 52.8:
          HN    GLN   30 - HB3   GLU-  29   3.82 +/- 0.13  38.877% * 63.6181% (0.90   4.83  26.05) =  53.704%  kept
      O   HN    GLU-  29 - HB3   GLU-  29   3.54 +/- 0.04  60.704% * 35.1230% (0.41   5.82  83.75) =  46.296%  kept
          HN    GLN   30 - QB    GLU-  36   9.00 +/- 0.30   0.228% *  0.0816% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.14 +/- 0.26   0.111% *  0.0374% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  15.58 +/- 2.64   0.016% *  0.2453% (0.84   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  12.14 +/- 0.46   0.038% *  0.0552% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  14.67 +/- 2.02   0.017% *  0.0760% (0.26   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  18.34 +/- 0.45   0.003% *  0.1781% (0.61   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  17.85 +/- 1.87   0.004% *  0.0625% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  22.19 +/- 1.63   0.001% *  0.2017% (0.69   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  24.65 +/- 0.68   0.001% *  0.2453% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  27.84 +/- 0.80   0.000% *  0.0760% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 4.32, residual support = 83.7:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.51 +/- 0.05  49.068% * 97.8127% (0.99   4.32  83.75) =  99.980%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.49 +/- 0.07  50.911% *  0.0192% (0.04   0.02  82.59) =   0.020%
        T HG2   GLU-  29 - QB    GLU-  36  10.13 +/- 0.29   0.011% *  0.1403% (0.31   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  11.16 +/- 0.96   0.007% *  0.0618% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  19.19 +/- 0.19   0.000% *  0.2586% (0.57   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.22 +/- 0.80   0.000% *  0.1270% (0.28   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  15.74 +/- 0.76   0.001% *  0.0393% (0.09   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  25.40 +/- 0.93   0.000% *  0.4527% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  25.68 +/- 0.71   0.000% *  0.3138% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  20.99 +/- 0.49   0.000% *  0.0801% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  26.94 +/- 0.53   0.000% *  0.2586% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.43 +/- 0.55   0.000% *  0.0972% (0.21   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  24.25 +/- 0.76   0.000% *  0.0904% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  28.12 +/- 1.05   0.000% *  0.1403% (0.31   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  25.69 +/- 0.38   0.000% *  0.0801% (0.18   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.04 +/- 0.64   0.000% *  0.0280% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.02, residual support = 0.1:
          QD    LYS+  33 - HA    GLN   30   4.33 +/- 0.60  99.876% * 23.5232% (0.95   0.02   0.10) =  99.942%  kept
          HD2   LYS+  74 - HA    GLN   30  14.49 +/- 0.31   0.095% *  9.3329% (0.38   0.02   0.02) =   0.038%
          QB    ALA   57 - HA    GLN   30  18.60 +/- 0.50   0.022% * 17.0813% (0.69   0.02   0.02) =   0.016%
          HB3   LEU  123 - HA    GLN   30  26.98 +/- 0.58   0.002% * 23.5232% (0.95   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HA    GLN   30  29.37 +/- 0.79   0.001% * 18.0571% (0.73   0.02   0.02) =   0.001%
          HG3   ARG+  54 - HA    GLN   30  26.47 +/- 0.88   0.003% *  8.4823% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 10 structures by 0.31 A, eliminated.
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.154, support = 0.02, residual support = 0.02:
          QD1   LEU   71 - HA    GLN   30   4.48 +/- 0.80  99.921% *  8.2693% (0.15   0.02   0.02) =  99.797%  kept
          HB3   LEU  104 - HA    GLN   30  18.39 +/- 0.31   0.037% * 22.0331% (0.41   0.02   0.02) =   0.100%
          QD2   LEU  123 - HA    GLN   30  21.84 +/- 0.60   0.012% * 48.0646% (0.90   0.02   0.02) =   0.067%
          QD1   LEU  123 - HA    GLN   30  19.89 +/- 0.58   0.021% *  8.2693% (0.15   0.02   0.02) =   0.020%
          HG3   LYS+ 121 - HA    GLN   30  23.41 +/- 0.59   0.009% * 13.3638% (0.25   0.02   0.02) =   0.015%
    Distance limit 4.45 A violated in 6 structures by 0.29 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.45, residual support = 157.9:
      O   HN    GLN   30 - HA    GLN   30   2.85 +/- 0.01  97.601% * 99.0068% (0.98   6.45 157.94) =  99.996%  kept
          HN    GLU-  29 - HA    GLN   30   5.30 +/- 0.02   2.371% *  0.1772% (0.57   0.02  26.05) =   0.004%
          HN    GLU-  14 - HA    GLN   30  13.25 +/- 2.44   0.021% *  0.2150% (0.69   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.63 +/- 0.45   0.005% *  0.1403% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.03 +/- 1.72   0.002% *  0.1647% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  25.62 +/- 0.49   0.000% *  0.2960% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.98, support = 6.49, residual support = 157.9:
      O   HN    GLN   30 - HB2   GLN   30   3.58 +/- 0.03  96.778% * 99.0127% (0.98   6.49 157.94) =  99.994%  kept
          HN    GLU-  29 - HB2   GLN   30   6.36 +/- 0.03   3.066% *  0.1761% (0.57   0.02  26.05) =   0.006%
          HN    GLU-  14 - HB2   GLN   30  12.48 +/- 2.24   0.114% *  0.2137% (0.69   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  14.00 +/- 0.50   0.028% *  0.1395% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  16.19 +/- 1.60   0.013% *  0.1637% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  25.07 +/- 0.43   0.001% *  0.2943% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.647, support = 6.37, residual support = 157.9:
      O   HN    GLN   30 - HB3   GLN   30   2.65 +/- 0.15  98.407% * 98.3092% (0.65   6.37 157.94) =  99.998%  kept
          HN    GLU-  29 - HB3   GLN   30   5.29 +/- 0.17   1.578% *  0.0944% (0.20   0.02  26.05) =   0.002%
          HN    GLU-  14 - HB3   GLN   30  14.04 +/- 2.28   0.007% *  0.4726% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLN   30  13.72 +/- 0.45   0.006% *  0.4136% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  16.24 +/- 1.66   0.002% *  0.4402% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  23.41 +/- 0.47   0.000% *  0.2700% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.647, support = 7.36, residual support = 157.9:
          HN    GLN   30 - HG2   GLN   30   2.41 +/- 0.58  97.838% * 98.5329% (0.65   7.36 157.94) =  99.998%  kept
          HN    GLU-  29 - HG2   GLN   30   4.61 +/- 0.61   2.140% *  0.0819% (0.20   0.02  26.05) =   0.002%
          HN    GLU-  14 - HG2   GLN   30  13.31 +/- 2.55   0.019% *  0.4101% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  16.25 +/- 0.60   0.002% *  0.3589% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  18.59 +/- 1.67   0.001% *  0.3819% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  24.02 +/- 0.78   0.000% *  0.2342% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.44, residual support = 157.9:
      O   HE21  GLN   30 - HG2   GLN   30   3.13 +/- 0.44  99.079% * 98.6252% (0.87   4.44 157.94) =  99.995%  kept
          HD1   TRP   27 - HG2   GLN   30   7.32 +/- 0.55   0.917% *  0.5114% (1.00   0.02   0.02) =   0.005%
          QD    PHE   59 - HG2   GLN   30  18.29 +/- 0.76   0.004% *  0.5114% (1.00   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  25.66 +/- 0.74   0.000% *  0.3521% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 3.62, residual support = 157.9:
      O   HE21  GLN   30 - HG3   GLN   30   3.48 +/- 0.43  96.956% * 97.7119% (0.87   3.62 157.94) =  99.992%  kept
          HD1   TRP   27 - HG3   GLN   30   7.97 +/- 0.94   0.960% *  0.6216% (1.00   0.02   0.02) =   0.006%
          QD    PHE   59 - HB2   LYS+ 111   7.87 +/- 0.28   0.895% *  0.1249% (0.20   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   PRO   93   7.82 +/- 0.42   1.006% *  0.0484% (0.08   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   PRO   93  11.12 +/- 1.30   0.155% *  0.0333% (0.05   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  18.00 +/- 0.90   0.007% *  0.6216% (1.00   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  18.97 +/- 1.72   0.005% *  0.0860% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  17.67 +/- 0.84   0.007% *  0.0484% (0.08   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  17.70 +/- 1.16   0.007% *  0.0421% (0.07   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  25.90 +/- 0.85   0.001% *  0.4279% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.48 +/- 0.61   0.001% *  0.1249% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  24.56 +/- 1.00   0.001% *  0.1086% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.647, support = 6.38, residual support = 157.9:
          HN    GLN   30 - HG3   GLN   30   3.08 +/- 0.73  96.403% * 97.7666% (0.65   6.38 157.94) =  99.996%  kept
          HN    GLU-  29 - HG3   GLN   30   5.39 +/- 0.87   3.408% *  0.0937% (0.20   0.02  26.05) =   0.003%
          HN    GLU-  14 - HG3   GLN   30  12.62 +/- 2.85   0.141% *  0.4695% (0.99   0.02   0.02) =   0.001%
          HN    LYS+  99 - HG3   GLN   30  16.17 +/- 0.55   0.008% *  0.4109% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  18.13 +/- 1.51   0.004% *  0.4373% (0.92   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  14.86 +/- 0.63   0.013% *  0.0879% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  15.85 +/- 0.42   0.008% *  0.0341% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  19.68 +/- 0.81   0.002% *  0.0826% (0.17   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  24.56 +/- 0.72   0.001% *  0.2682% (0.57   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  17.91 +/- 0.37   0.004% *  0.0209% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.97 +/- 0.33   0.002% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  20.13 +/- 0.81   0.002% *  0.0239% (0.05   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  24.95 +/- 1.40   0.001% *  0.0539% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  26.71 +/- 0.58   0.000% *  0.0616% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  26.73 +/- 1.24   0.000% *  0.0366% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  20.96 +/- 0.85   0.002% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  32.16 +/- 1.18   0.000% *  0.0944% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  27.91 +/- 0.59   0.000% *  0.0188% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.3, residual support = 8.99:
          QD2   LEU   73 - HB3   GLN   30   2.35 +/- 0.25  98.898% * 92.7972% (0.25   2.30   8.99) =  99.994%  kept
          HG    LEU   31 - HB3   GLN   30   5.18 +/- 0.23   1.101% *  0.4989% (0.15   0.02  43.56) =   0.006%
        T QD1   ILE   56 - HB3   GLN   30  16.65 +/- 0.36   0.001% *  1.5738% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB3   GLN   30  21.68 +/- 0.58   0.000% *  3.1691% (0.98   0.02   0.02) =   0.000%
          QD2   LEU  123 - HB3   GLN   30  20.44 +/- 0.64   0.000% *  1.9610% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.66, residual support = 8.99:
          QD1   LEU   73 - HB3   GLN   30   2.20 +/- 0.14  99.989% * 97.2961% (0.87   3.66   8.99) = 100.000%  kept
          QD2   LEU   80 - HB3   GLN   30  12.06 +/- 0.48   0.004% *  0.6073% (0.99   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   GLN   30  13.26 +/- 0.59   0.002% *  0.5315% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   GLN   30  13.80 +/- 0.48   0.002% *  0.5315% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  14.67 +/- 0.69   0.001% *  0.1704% (0.28   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   GLN   30  15.63 +/- 0.54   0.001% *  0.2519% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  18.78 +/- 0.52   0.000% *  0.6114% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.71, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  20.11 +/- 0.64  23.861% * 54.6388% (0.97   0.02   0.02) =  54.786%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.81 +/- 0.57  14.731% * 36.6255% (0.65   0.02   0.02) =  22.673%  kept
          QD1   ILE   56 - HB2   GLN   30  17.15 +/- 0.32  61.407% *  8.7356% (0.15   0.02   0.02) =  22.542%  kept
    Distance limit 3.90 A violated in 20 structures by 11.91 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.75, residual support = 8.99:
          QD1   LEU   73 - HB2   GLN   30   3.64 +/- 0.19  99.835% * 94.5064% (0.87   1.75   8.99) =  99.998%  kept
          QD2   LEU   80 - HB2   GLN   30  13.37 +/- 0.46   0.043% *  1.2339% (0.99   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   GLN   30  13.20 +/- 0.51   0.048% *  1.0799% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   GLN   30  13.97 +/- 0.39   0.033% *  1.0799% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  14.63 +/- 0.64   0.026% *  0.3461% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  19.06 +/- 0.49   0.005% *  1.2421% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   GLN   30  17.03 +/- 0.51   0.010% *  0.5118% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.81, residual support = 157.9:
      O T HA    GLN   30 - HG3   GLN   30   3.01 +/- 0.35  93.773% * 95.9490% (0.65   4.81 157.94) =  99.998%  kept
          HB2   CYS   53 - HB2   PRO   93   5.13 +/- 0.53   5.049% *  0.0120% (0.02   0.02   0.02) =   0.001%
          HB    THR   39 - HG3   GLN   30  11.02 +/- 1.30   0.058% *  0.4714% (0.76   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  13.55 +/- 2.93   0.046% *  0.4939% (0.80   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30  10.68 +/- 0.89   0.056% *  0.3741% (0.61   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   7.30 +/- 0.61   0.569% *  0.0309% (0.05   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   PRO   93   7.91 +/- 0.56   0.357% *  0.0349% (0.06   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  11.55 +/- 0.33   0.036% *  0.0292% (0.05   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  14.34 +/- 0.79   0.010% *  0.0900% (0.15   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  20.73 +/- 0.92   0.001% *  0.6114% (0.99   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.28 +/- 0.41   0.010% *  0.0309% (0.05   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  12.31 +/- 0.45   0.024% *  0.0120% (0.02   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  17.99 +/- 1.13   0.003% *  0.0752% (0.12   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  20.95 +/- 0.92   0.001% *  0.1538% (0.25   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  24.24 +/- 0.89   0.000% *  0.3741% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  26.42 +/- 0.86   0.000% *  0.4479% (0.73   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  22.98 +/- 0.73   0.001% *  0.1538% (0.25   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  19.33 +/- 0.71   0.002% *  0.0476% (0.08   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  25.17 +/- 0.92   0.000% *  0.0948% (0.15   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  21.53 +/- 0.79   0.001% *  0.0311% (0.05   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  27.55 +/- 1.38   0.000% *  0.1229% (0.20   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  22.67 +/- 0.65   0.001% *  0.0367% (0.06   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  27.50 +/- 0.64   0.000% *  0.0802% (0.13   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  24.70 +/- 1.87   0.000% *  0.0385% (0.06   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  27.83 +/- 0.97   0.000% *  0.0752% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  29.40 +/- 1.43   0.000% *  0.0993% (0.16   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.82 +/- 1.10   0.000% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.31, residual support = 17.2:
          HZ2   TRP   27 - QD1   LEU   31   2.49 +/- 0.24  99.991% * 99.8463% (0.87   2.31  17.19) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  12.00 +/- 0.23   0.009% *  0.1537% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.923, support = 0.987, residual support = 19.1:
          HD21  ASN   28 - QD1   LEU   31   3.67 +/- 0.30  99.485% * 93.9591% (0.92   0.99  19.09) =  99.997%  kept
          QE    PHE   60 - QD1   LEU   31   9.31 +/- 0.32   0.429% *  0.4081% (0.20   0.02   0.02) =   0.002%
          HZ2   TRP   87 - QD1   LEU   31  15.76 +/- 1.11   0.020% *  1.5760% (0.76   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   31  15.42 +/- 0.25   0.020% *  1.5760% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   31  14.69 +/- 0.57   0.026% *  0.5734% (0.28   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   31  18.14 +/- 0.39   0.007% *  1.3341% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  16.82 +/- 0.56   0.012% *  0.5734% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.384, support = 0.0194, residual support = 0.0194:
          HN    ASP- 105 - QD1   LEU   31  10.41 +/- 0.37  94.726% * 18.6164% (0.34   0.02   0.02) =  88.525%  kept
          HN    ALA   88 - QD1   LEU   31  18.47 +/- 0.71   3.220% * 52.6698% (0.97   0.02   0.02) =   8.514%  kept
          HN    PHE   55 - QD1   LEU   31  19.80 +/- 0.40   2.054% * 28.7138% (0.53   0.02   0.02) =   2.961%
    Distance limit 4.76 A violated in 20 structures by 5.60 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.14, residual support = 226.8:
          HN    LEU   31 - HG    LEU   31   3.31 +/- 0.23  99.841% * 99.0751% (0.67   7.14 226.85) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.85 +/- 1.20   0.155% *  0.2149% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  20.00 +/- 1.00   0.003% *  0.2979% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  23.28 +/- 0.46   0.001% *  0.3292% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  23.78 +/- 0.48   0.001% *  0.0828% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 7.14, residual support = 226.8:
      O   HN    LEU   31 - HB3   LEU   31   3.46 +/- 0.03  99.655% * 98.2463% (0.34   7.14 226.85) =  99.997%  kept
          HN    LYS+  38 - HB3   LEU   31   8.99 +/- 0.48   0.343% *  0.8052% (1.00   0.02   0.02) =   0.003%
          HN    ASP-  62 - HB3   LEU   31  21.44 +/- 0.37   0.002% *  0.3318% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  25.48 +/- 0.44   0.001% *  0.6167% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 45.1:
          HN    GLN   32 - HB3   LEU   31   3.25 +/- 0.14  94.353% * 98.9341% (0.76   5.89  45.15) =  99.978%  kept
          HN    ALA   34 - HB3   LEU   31   5.27 +/- 0.18   5.640% *  0.3674% (0.84   0.02   4.91) =   0.022%
          HN    LEU   80 - HB3   LEU   31  16.60 +/- 0.53   0.005% *  0.3194% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  22.04 +/- 0.71   0.001% *  0.1651% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  24.57 +/- 0.61   0.001% *  0.2141% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.56, residual support = 19.1:
        T HA    ASN   28 - HB2   LEU   31   2.00 +/- 0.14  99.935% * 94.9479% (0.73   2.56  19.09) =  99.999%  kept
          HA    THR   26 - HB2   LEU   31   7.57 +/- 0.12   0.036% *  0.7818% (0.76   0.02   0.02) =   0.000%
        T HA    ALA   34 - HB2   LEU   31   8.27 +/- 0.20   0.022% *  0.9174% (0.90   0.02   4.91) =   0.000%
          HA1   GLY  101 - HB2   LEU   31  10.89 +/- 1.87   0.007% *  1.0139% (0.99   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  22.72 +/- 0.61   0.000% *  0.7818% (0.76   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  26.01 +/- 1.04   0.000% *  1.0139% (0.99   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  22.59 +/- 0.54   0.000% *  0.1578% (0.15   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  24.66 +/- 0.48   0.000% *  0.2277% (0.22   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  28.33 +/- 0.66   0.000% *  0.1578% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 226.9:
      O   HN    LEU   31 - HB2   LEU   31   2.18 +/- 0.06  99.989% * 98.2463% (0.34   7.14 226.85) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31  10.07 +/- 0.37   0.011% *  0.8052% (1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  21.52 +/- 0.55   0.000% *  0.3318% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  25.16 +/- 0.44   0.000% *  0.6167% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.764, support = 5.89, residual support = 45.1:
          HN    GLN   32 - HB2   LEU   31   2.75 +/- 0.16  98.542% * 98.9341% (0.76   5.89  45.15) =  99.995%  kept
          HN    ALA   34 - HB2   LEU   31   5.64 +/- 0.12   1.454% *  0.3674% (0.84   0.02   4.91) =   0.005%
          HN    LEU   80 - HB2   LEU   31  15.70 +/- 0.44   0.003% *  0.3194% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  21.33 +/- 0.65   0.000% *  0.1651% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  24.28 +/- 0.53   0.000% *  0.2141% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 7.14, residual support = 226.8:
      O   HN    LEU   31 - HA    LEU   31   2.74 +/- 0.01  99.835% * 98.2463% (0.34   7.14 226.85) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   8.07 +/- 0.44   0.164% *  0.8052% (1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  19.31 +/- 0.40   0.001% *  0.3318% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  24.19 +/- 0.46   0.000% *  0.6167% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.787, support = 4.58, residual support = 32.1:
      O   HN    GLN   32 - HA    LEU   31   3.62 +/- 0.02  42.213% * 73.7306% (0.76   5.88  45.15) =  67.659%  kept
          HN    ALA   34 - HA    LEU   31   3.44 +/- 0.19  57.781% * 25.7478% (0.84   1.88   4.91) =  32.341%  kept
          HN    LEU   80 - HA    LEU   31  16.94 +/- 0.46   0.004% *  0.2384% (0.73   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  23.53 +/- 0.62   0.001% *  0.1598% (0.49   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  22.85 +/- 0.59   0.001% *  0.1232% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.487, support = 1.3, residual support = 5.09:
          QD1   LEU   73 - HA    LEU   31   3.73 +/- 0.13  99.712% * 88.3433% (0.49   1.30   5.09) =  99.992%  kept
          QD1   LEU  104 - HA    LEU   31  11.15 +/- 0.50   0.150% *  2.7645% (0.99   0.02   0.02) =   0.005%
          QD2   LEU   80 - HA    LEU   31  13.02 +/- 0.49   0.057% *  2.4194% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    LEU   31  13.71 +/- 0.46   0.042% *  1.3576% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU   31  15.62 +/- 0.87   0.020% *  2.2334% (0.80   0.02   0.02) =   0.001%
          QD2   LEU  115 - HA    LEU   31  18.72 +/- 0.52   0.006% *  2.3297% (0.84   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU   31  16.88 +/- 0.85   0.012% *  0.5520% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2472 (7.73, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 3.53, residual support = 18.6:
          HD1   TRP   87 - QG2   VAL   83   2.26 +/- 0.34  99.695% * 96.0620% (0.53   3.53  18.65) =  99.998%  kept
          HE3   TRP   87 - QG2   VAL   83   6.14 +/- 0.40   0.269% *  0.4632% (0.45   0.02  18.65) =   0.001%
          HN    ALA   91 - QG2   VAL   83   9.48 +/- 0.23   0.027% *  0.8629% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   VAL   83  12.02 +/- 0.86   0.009% *  1.0331% (1.00   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   VAL   83  20.02 +/- 0.60   0.000% *  0.7895% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  22.20 +/- 0.61   0.000% *  0.5849% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  20.31 +/- 0.88   0.000% *  0.2044% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2473 (6.72, 0.08, 62.25 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  20.53 +/- 0.75 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.52 A violated in 20 structures by 17.01 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.426, support = 0.0193, residual support = 0.0193:
          QD    PHE   59 - QG2   VAL   42   6.95 +/- 0.24  85.455% * 17.5479% (0.39   0.02   0.02) =  79.019%  kept
          HE21  GLN   30 - QG2   VAL   42   9.87 +/- 0.57  11.158% * 30.1124% (0.67   0.02   0.02) =  17.705%  kept
          HD1   TRP   27 - QG2   VAL   42  12.13 +/- 0.57   3.230% * 17.5479% (0.39   0.02   0.02) =   2.986%
          HH2   TRP   49 - QG2   VAL   42  20.05 +/- 0.91   0.158% * 34.7918% (0.77   0.02   0.02) =   0.290%
    Distance limit 3.75 A violated in 20 structures by 3.06 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 0.326, residual support = 2.02:
          QD2   LEU   40 - QG2   VAL   42   2.51 +/- 0.72  67.846% * 78.6715% (0.79   0.34   2.07) =  97.275%  kept
          QD1   LEU   67 - QG2   VAL   42   2.93 +/- 0.46  30.931% *  4.7225% (0.80   0.02   0.02) =   2.662%
          QD2   LEU   71 - QG2   VAL   42   6.50 +/- 0.41   0.615% *  2.3038% (0.39   0.02   2.46) =   0.026%
          QG2   ILE  103 - QG2   VAL   42   6.78 +/- 0.59   0.192% *  4.6911% (0.79   0.02   0.02) =   0.016%
          HG3   LYS+  74 - QG2   VAL   42  10.29 +/- 0.82   0.147% *  4.4772% (0.76   0.02   0.02) =   0.012%
          QD1   ILE  103 - QG2   VAL   42   7.81 +/- 0.84   0.116% *  1.7763% (0.30   0.02   0.02) =   0.004%
        T HB    VAL   75 - QG2   VAL   42  10.26 +/- 0.57   0.077% *  2.3038% (0.39   0.02   0.02) =   0.003%
          QG2   ILE  119 - QG2   VAL   42   8.53 +/- 0.34   0.075% *  1.0537% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 1 structures by 0.09 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.15, residual support = 17.2:
        T HZ2   TRP   27 - QD2   LEU   31   3.42 +/- 0.19  71.442% * 99.9674% (0.99   4.15  17.19) =  99.987%  kept
        T HZ2   TRP   27 - QG2   VAL   43   4.00 +/- 0.15  28.558% *  0.0326% (0.07   0.02   9.13) =   0.013%
    Distance limit 3.70 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 = 0.897, support = 3.2, residual support = 43.6:
          HE22  GLN   30 - QD2   LEU   31   4.13 +/- 0.16  95.788% * 99.1224% (0.90   3.20  43.56) =  99.998%  kept
          HE22  GLN   30 - QG2   VAL   43   7.09 +/- 0.48   3.938% *  0.0419% (0.06   0.02   0.02) =   0.002%
          HD22  ASN   69 - QD2   LEU   31  13.68 +/- 0.97   0.081% *  0.4466% (0.65   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  16.84 +/- 0.39   0.022% *  0.3361% (0.49   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  12.66 +/- 0.27   0.119% *  0.0227% (0.03   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  14.61 +/- 0.67   0.052% *  0.0302% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 1 structures by 0.03 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.3:
      O T HA    VAL   43 - QG2   VAL   43   2.29 +/- 0.15  99.440% * 97.5800% (0.50   3.00  60.32) =  99.999%  kept
        T HA    VAL   43 - QD2   LEU   31   5.60 +/- 0.16   0.516% *  0.1867% (0.14   0.02   0.02) =   0.001%
          HA    HIS   22 - QG2   VAL   43   9.41 +/- 0.51   0.021% *  0.8879% (0.68   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31   9.91 +/- 0.22   0.017% *  0.2548% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  14.39 +/- 0.21   0.002% *  0.8475% (0.65   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  12.37 +/- 0.36   0.004% *  0.2432% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.499, support = 1.38, residual support = 9.13:
          HZ3   TRP   27 - QG2   VAL   43   1.86 +/- 0.05  98.520% * 99.5852% (0.50   1.38   9.13) =  99.994%  kept
        T HZ3   TRP   27 - QD2   LEU   31   3.75 +/- 0.09   1.480% *  0.4148% (0.14   0.02  17.19) =   0.006%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.55, residual support = 44.9:
          HN    GLN   32 - QG    GLN   32   3.47 +/- 0.58  89.040% * 99.2836% (0.92   4.56  44.89) =  99.987%  kept
          HN    ALA   34 - QG    GLN   32   5.26 +/- 0.33  10.953% *  0.1051% (0.22   0.02   0.72) =   0.013%
          HN    SER   85 - QG    GLN   32  23.98 +/- 1.43   0.001% *  0.4557% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  19.08 +/- 1.18   0.004% *  0.0729% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  20.15 +/- 0.88   0.003% *  0.0827% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.923, support = 4.45, residual support = 44.9:
      O   HN    GLN   32 - QB    GLN   32   2.15 +/- 0.13  99.247% * 99.2669% (0.92   4.45  44.89) =  99.999%  kept
          HN    ALA   34 - QB    GLN   32   4.94 +/- 0.19   0.752% *  0.1076% (0.22   0.02   0.72) =   0.001%
          HN    SER   85 - QB    GLN   32  22.86 +/- 0.60   0.000% *  0.4664% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  17.91 +/- 0.39   0.000% *  0.0746% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.30 +/- 0.35   0.000% *  0.0846% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.211, support = 6.07, residual support = 64.7:
      O   HN    GLU-  29 - HA    GLU-  29   2.73 +/- 0.01  83.378% * 26.5364% (0.14   6.07  83.75) =  66.961%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.60 +/- 0.01  15.869% * 68.7784% (0.36   6.06  26.05) =  33.032%  kept
          HN    GLN   30 - HA    GLN   32   7.04 +/- 0.12   0.283% *  0.3486% (0.55   0.02   1.05) =   0.003%
          HN    GLN   30 - HA    LYS+  33   7.34 +/- 0.29   0.226% *  0.3587% (0.57   0.02   0.10) =   0.002%
          HN    GLU-  29 - HA    GLN   32   7.86 +/- 0.18   0.147% *  0.1344% (0.21   0.02   0.02) =   0.001%
          HN    GLU-  29 - HA    LYS+  33   9.13 +/- 0.33   0.060% *  0.1383% (0.22   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  11.72 +/- 0.64   0.014% *  0.3161% (0.50   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  13.88 +/- 2.31   0.009% *  0.4135% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.50 +/- 0.56   0.006% *  0.3253% (0.51   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.16 +/- 2.59   0.002% *  0.2615% (0.41   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.11 +/- 2.32   0.001% *  0.4018% (0.63   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  18.46 +/- 2.02   0.001% *  0.3587% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  18.65 +/- 2.21   0.001% *  0.3486% (0.55   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.80 +/- 0.49   0.002% *  0.2057% (0.32   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  21.66 +/- 1.84   0.000% *  0.2269% (0.36   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  23.85 +/- 0.67   0.000% *  0.2057% (0.32   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  26.30 +/- 0.87   0.000% *  0.3161% (0.50   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  29.42 +/- 0.68   0.000% *  0.3253% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.389, support = 4.26, residual support = 44.9:
      O   HN    GLN   32 - HA    GLN   32   2.76 +/- 0.02  88.644% * 95.9106% (0.39   4.26  44.89) =  99.957%  kept
          HN    GLN   32 - HA    GLU-  29   4.01 +/- 0.07   9.373% *  0.2930% (0.25   0.02   0.02) =   0.032%
          HN    GLN   32 - HA    LYS+  33   5.20 +/- 0.07   1.979% *  0.4633% (0.40   0.02  14.34) =   0.011%
          HN    THR   94 - HA    GLN   32  20.51 +/- 0.52   0.001% *  0.3870% (0.33   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  22.25 +/- 0.34   0.000% *  0.3983% (0.34   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  23.00 +/- 0.54   0.000% *  0.4777% (0.41   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  20.67 +/- 0.15   0.001% *  0.2519% (0.22   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  25.79 +/- 0.70   0.000% *  0.7340% (0.63   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  17.91 +/- 0.24   0.001% *  0.0798% (0.07   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.08 +/- 0.31   0.000% *  0.1227% (0.11   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  28.59 +/- 0.51   0.000% *  0.7554% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.70 +/- 0.31   0.000% *  0.1263% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.687, support = 5.98, residual support = 157.6:
      O   HN    LYS+  33 - HA    LYS+  33   2.79 +/- 0.03  79.540% * 98.6474% (0.69   5.98 157.63) =  99.978%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.56 +/- 0.02  18.298% *  0.0848% (0.18   0.02  14.34) =   0.020%
          HN    LYS+  33 - HA    GLU-  29   5.15 +/- 0.34   2.141% *  0.0920% (0.19   0.02   0.02) =   0.003%
          HN    CYS   21 - HA    GLU-  29  11.94 +/- 0.27   0.013% *  0.1202% (0.25   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    LYS+  33  14.94 +/- 0.30   0.003% *  0.4304% (0.90   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.99 +/- 0.19   0.003% *  0.1107% (0.23   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  25.72 +/- 0.45   0.000% *  0.2152% (0.45   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.42 +/- 0.58   0.000% *  0.0553% (0.12   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  29.34 +/- 0.84   0.000% *  0.1197% (0.25   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  24.60 +/- 0.84   0.000% *  0.0334% (0.07   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  27.88 +/- 0.46   0.000% *  0.0601% (0.13   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  26.48 +/- 0.97   0.000% *  0.0308% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.479, support = 0.0194, residual support = 0.0194:
          HE3   TRP   27 - QB    LYS+  33   9.48 +/- 0.30  85.100% *  5.4417% (0.14   0.02   0.02) =  48.796%  kept
          QD    PHE   60 - QB    LYS+  33  13.51 +/- 0.58  10.590% * 37.1179% (0.92   0.02   0.02) =  41.420%  kept
          HN    LYS+  66 - QB    LYS+  33  16.24 +/- 0.79   3.601% * 18.0271% (0.45   0.02   0.02) =   6.839%  kept
          HN    LYS+  81 - QB    LYS+  33  21.08 +/- 0.49   0.709% * 39.4132% (0.98   0.02   0.02) =   2.945%
    Distance limit 4.12 A violated in 20 structures by 5.12 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.86, residual support = 157.6:
      O   HN    LYS+  33 - QB    LYS+  33   2.13 +/- 0.19  99.995% * 99.7384% (0.97   5.86 157.63) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  11.21 +/- 0.36   0.005% *  0.1998% (0.57   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  21.82 +/- 0.61   0.000% *  0.0618% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.923, support = 6.05, residual support = 44.6:
          HN    ALA   34 - QB    LYS+  33   2.84 +/- 0.14  92.786% * 99.1596% (0.92   6.05  44.66) =  99.982%  kept
          HN    GLN   32 - QB    LYS+  33   4.43 +/- 0.23   7.212% *  0.2297% (0.65   0.02  14.34) =   0.018%
          HN    LEU   80 - QB    LYS+  33  18.49 +/- 0.46   0.001% *  0.2966% (0.84   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  23.95 +/- 0.59   0.000% *  0.2154% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  24.17 +/- 0.54   0.000% *  0.0987% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.25, support = 0.0191, residual support = 0.0191:
          HN    GLY   16 - QB    LYS+  33   9.83 +/- 1.22  91.927% *  8.4971% (0.20   0.02   0.02) =  78.888%  kept
          HN    ILE  103 - QB    LYS+  33  15.59 +/- 0.59   6.740% * 24.3087% (0.57   0.02   0.02) =  16.546%  kept
          HN    SER   82 - QB    LYS+  33  21.90 +/- 0.50   0.922% * 34.3809% (0.80   0.02   0.02) =   3.201%
          HN    GLN   90 - QB    LYS+  33  25.05 +/- 0.90   0.412% * 32.8133% (0.76   0.02   0.02) =   1.364%
    Distance limit 4.36 A violated in 20 structures by 5.35 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.526, support = 5.67, residual support = 157.6:
      O   HA    LYS+  33 - HG2   LYS+  33   3.52 +/- 0.54  90.584% * 94.3796% (0.53   5.67 157.63) =  99.963%  kept
          HB2   SER   37 - HG2   LYS+  33   7.05 +/- 1.28   3.843% *  0.5284% (0.84   0.02   0.02) =   0.024%
          HA    GLU-  29 - HG2   LYS+  33   6.97 +/- 0.96   2.512% *  0.2374% (0.38   0.02   0.02) =   0.007%
          HA    VAL   70 - HG2   LYS+  33  10.03 +/- 1.60   0.453% *  0.5284% (0.84   0.02   0.02) =   0.003%
          HB2   SER   82 - QG    LYS+  81   6.75 +/- 0.57   2.358% *  0.0842% (0.13   0.02  19.77) =   0.002%
          HA    VAL   18 - HG2   LYS+  33  11.82 +/- 1.33   0.119% *  0.2158% (0.34   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+  33  12.80 +/- 1.60   0.080% *  0.3079% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  15.24 +/- 0.91   0.019% *  0.3204% (0.51   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  17.04 +/- 0.39   0.008% *  0.3204% (0.51   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  21.26 +/- 0.89   0.002% *  0.3204% (0.51   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  19.32 +/- 0.36   0.004% *  0.1309% (0.21   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  19.44 +/- 0.45   0.004% *  0.1033% (0.16   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  19.76 +/- 0.43   0.004% *  0.1137% (0.18   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.97 +/- 0.92   0.002% *  0.2018% (0.32   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  22.17 +/- 0.92   0.002% *  0.1867% (0.30   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  27.51 +/- 1.62   0.001% *  0.5284% (0.84   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  25.04 +/- 0.55   0.001% *  0.2530% (0.40   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  22.98 +/- 1.01   0.002% *  0.1440% (0.23   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  25.78 +/- 1.21   0.001% *  0.2530% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  24.66 +/- 0.32   0.001% *  0.1593% (0.25   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  25.45 +/- 0.89   0.001% *  0.1759% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  25.42 +/- 0.49   0.001% *  0.1474% (0.23   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  27.80 +/- 0.74   0.000% *  0.2530% (0.40   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  26.44 +/- 1.98   0.001% *  0.1067% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 0.02, residual support = 110.5:
        T QD1   ILE   56 - QG2   ILE   56   3.21 +/- 0.03  99.886% * 28.4642% (0.98   0.02 110.61) =  99.941%  kept
          QD2   LEU   73 - QG2   ILE   56  11.53 +/- 0.41   0.047% * 23.2528% (0.80   0.02   0.02) =   0.039%
          HG3   LYS+ 121 - QG2   ILE   56  14.49 +/- 0.57   0.012% * 21.0868% (0.73   0.02   0.02) =   0.009%
          QD2   LEU  123 - QG2   ILE   56  12.40 +/- 0.28   0.030% *  3.9300% (0.14   0.02   0.02) =   0.004%
          HG    LEU   31 - QG2   ILE   56  16.34 +/- 0.54   0.006% * 18.7856% (0.65   0.02   0.02) =   0.004%
        T QG1   VAL   41 - QG2   ILE   56  13.43 +/- 0.46   0.019% *  4.4806% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.08 A violated in 17 structures by 0.12 A, eliminated.
    Peak unassigned.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   1.88 +/- 0.10  99.996% * 29.1279% (0.99   0.02   0.02) =  99.998%  kept
          HA    GLU- 114 - QG2   ILE   56  10.57 +/- 0.25   0.003% *  7.3280% (0.25   0.02   0.02) =   0.001%
        T HA    ILE   19 - QG2   ILE   56  13.82 +/- 0.49   0.001% * 24.5469% (0.84   0.02   0.02) =   0.001%
          HA    GLU-  25 - QG2   ILE   56  19.15 +/- 0.43   0.000% * 17.8247% (0.61   0.02   0.02) =   0.000%
          HA    THR   26 - QG2   ILE   56  19.20 +/- 0.44   0.000% * 16.6381% (0.57   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  19.81 +/- 0.93   0.000% *  4.5344% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.779, support = 2.07, residual support = 10.8:
          HA    ALA  110 - QG2   ILE   56   3.56 +/- 0.07  79.937% * 12.6970% (0.65   0.74   5.94) =  52.133%  kept
          HA    PHE   55 - QG2   ILE   56   4.98 +/- 0.13  10.811% * 86.1075% (0.92   3.53  16.07) =  47.814%  kept
          HA    THR   46 - QG2   ILE   56   5.16 +/- 0.23   9.054% *  0.1046% (0.20   0.02   0.02) =   0.049%
          HA    VAL   42 - QG2   ILE   56  11.14 +/- 0.48   0.089% *  0.4233% (0.80   0.02   0.02) =   0.002%
          HA    GLN   90 - QG2   ILE   56  11.38 +/- 0.51   0.080% *  0.4040% (0.76   0.02   0.02) =   0.002%
          HA    GLN   17 - QG2   ILE   56  13.58 +/- 0.72   0.028% *  0.1318% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  23.21 +/- 0.61   0.001% *  0.1318% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 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  11.11 +/- 0.37 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.31 A violated in 20 structures by 7.80 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.66, residual support = 25.1:
          HN    ALA   57 - QG2   ILE   56   3.20 +/- 0.16  99.870% * 98.9918% (0.92   4.66  25.08) = 100.000%  kept
          HE21  GLN  116 - QG2   ILE   56  11.22 +/- 0.44   0.057% *  0.3994% (0.87   0.02   0.02) =   0.000%
          HE21  GLN   90 - QG2   ILE   56  13.03 +/- 1.37   0.037% *  0.3846% (0.84   0.02   0.02) =   0.000%
          HN    ALA  120 - QG2   ILE   56  12.15 +/- 0.27   0.035% *  0.2241% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.16, residual support = 110.6:
          HN    ILE   56 - QG2   ILE   56   1.98 +/- 0.10  98.212% * 98.4179% (0.65   6.17 110.61) =  99.998%  kept
          QE    PHE   60 - QG2   ILE   56   4.55 +/- 0.81   1.557% *  0.0977% (0.20   0.02   4.60) =   0.002%
          HN    LYS+ 111 - QG2   ILE   56   5.52 +/- 0.08   0.216% *  0.1372% (0.28   0.02   1.21) =   0.000%
          HN    LEU   63 - QG2   ILE   56   8.75 +/- 0.31   0.014% *  0.3772% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  17.33 +/- 0.45   0.000% *  0.4556% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  15.51 +/- 0.43   0.000% *  0.1372% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QG2   ILE   56  19.07 +/- 0.71   0.000% *  0.3772% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.79, support = 2.11, residual support = 5.56:
        T HB    THR   39 - QB    ALA   34   3.61 +/- 0.84  68.538% * 69.6557% (0.80   2.26   6.24) =  88.097%  kept
          HB3   SER   37 - QB    ALA   34   4.46 +/- 0.57  23.431% * 27.4131% (0.69   1.04   0.52) =  11.853%  kept
          HA    GLN   30 - QB    ALA   34   5.20 +/- 0.34   7.983% *  0.3348% (0.44   0.02   0.79) =   0.049%
          QB    SER   13 - QB    ALA   34  12.94 +/- 1.82   0.032% *  0.6350% (0.83   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  15.53 +/- 0.48   0.009% *  0.2582% (0.34   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  20.19 +/- 0.65   0.002% *  0.6818% (0.89   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  21.04 +/- 0.76   0.002% *  0.5257% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  22.92 +/- 0.56   0.001% *  0.3895% (0.51   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  18.61 +/- 0.71   0.003% *  0.1061% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.75, residual support = 4.91:
          HA    LEU   31 - QB    ALA   34   3.01 +/- 0.30 100.000% *100.0000% (0.65   0.75   4.91) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.749, support = 2.96, residual support = 9.18:
        T QG1   VAL   41 - QB    ALA   34   2.00 +/- 0.22  96.573% * 97.1548% (0.75   2.96   9.18) =  99.976%  kept
          QD2   LEU   73 - QB    ALA   34   4.22 +/- 0.26   1.790% *  0.6299% (0.72   0.02   0.02) =   0.012%
          HG    LEU   31 - QB    ALA   34   5.52 +/- 1.01   1.426% *  0.7262% (0.83   0.02   4.91) =   0.011%
          QG1   VAL   43 - QB    ALA   34   5.67 +/- 0.29   0.195% *  0.5089% (0.58   0.02   0.02) =   0.001%
        T QG2   VAL   18 - QB    ALA   34   9.14 +/- 0.44   0.013% *  0.3234% (0.37   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  12.39 +/- 0.36   0.002% *  0.2428% (0.28   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  13.71 +/- 0.21   0.001% *  0.4139% (0.47   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.23, residual support = 17.5:
          HN    ASN   35 - QB    ALA   34   2.84 +/- 0.09  99.918% * 98.5630% (0.62   3.23  17.54) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34   9.47 +/- 0.38   0.077% *  0.2746% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  16.60 +/- 2.19   0.004% *  0.8877% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  18.45 +/- 0.56   0.001% *  0.2746% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 3.76, residual support = 25.5:
      O   HN    ALA   34 - QB    ALA   34   2.06 +/- 0.08  99.996% * 98.3895% (0.58   3.76  25.47) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  11.58 +/- 0.30   0.003% *  0.2252% (0.25   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  16.65 +/- 0.28   0.000% *  0.6190% (0.69   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  20.33 +/- 0.46   0.000% *  0.7663% (0.85   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 3.56, residual support = 25.5:
      O   HN    ALA   34 - HA    ALA   34   2.84 +/- 0.02  99.579% * 98.3084% (0.87   3.56  25.47) =  99.999%  kept
          HN    GLN   32 - HA    ALA   34   7.07 +/- 0.11   0.420% *  0.1593% (0.25   0.02   0.72) =   0.001%
          HN    LEU   80 - HA    ALA   34  22.16 +/- 0.31   0.000% *  0.5715% (0.89   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.42 +/- 0.57   0.000% *  0.5418% (0.85   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  25.06 +/- 0.62   0.000% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  26.78 +/- 0.43   0.000% *  0.1244% (0.19   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  34.25 +/- 0.66   0.000% *  0.1312% (0.21   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  28.78 +/- 0.58   0.000% *  0.0366% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.883, support = 2.28, residual support = 4.98:
          HB    THR   39 - HA    ALA   34   3.07 +/- 1.15  54.181% * 72.6089% (0.88   2.67   6.24) =  77.876%  kept
          HB3   SER   37 - HA    ALA   34   2.93 +/- 0.67  45.590% * 24.5150% (0.89   0.89   0.52) =  22.124%  kept
          HA    GLN   30 - HA    ALA   34   6.78 +/- 0.40   0.219% *  0.0971% (0.16   0.02   0.79) =   0.000%
          QB    SER   13 - HA    ALA   34  14.62 +/- 2.40   0.004% *  0.5349% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  12.63 +/- 0.35   0.005% *  0.0972% (0.16   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  20.25 +/- 0.62   0.000% *  0.4236% (0.69   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  20.51 +/- 0.82   0.000% *  0.1247% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  27.66 +/- 0.93   0.000% *  0.5530% (0.89   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  26.32 +/- 0.69   0.000% *  0.4025% (0.65   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  23.32 +/- 0.92   0.000% *  0.1270% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  24.24 +/- 1.46   0.000% *  0.1228% (0.20   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  29.63 +/- 0.68   0.000% *  0.1234% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  34.12 +/- 0.53   0.000% *  0.1270% (0.21   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  28.04 +/- 0.59   0.000% *  0.0223% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  29.53 +/- 0.55   0.000% *  0.0283% (0.05   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  40.08 +/- 1.03   0.000% *  0.0924% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.04, residual support = 54.4:
      O T HA    ASN   35 - HB2   ASN   35   2.80 +/- 0.04  99.699% * 96.2900% (0.90   4.04  54.36) =  99.999%  kept
          HA    LYS+  99 - HB2   ASN   35   8.10 +/- 0.51   0.185% *  0.4064% (0.76   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB2   ASN   35   9.25 +/- 0.58   0.088% *  0.3440% (0.65   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.48 +/- 0.55   0.014% *  0.1483% (0.28   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  15.88 +/- 1.36   0.004% *  0.2384% (0.45   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  15.77 +/- 0.53   0.003% *  0.1264% (0.24   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  16.08 +/- 0.60   0.003% *  0.1070% (0.20   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  20.13 +/- 2.56   0.001% *  0.2384% (0.45   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  24.44 +/- 0.56   0.000% *  0.5212% (0.98   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  17.93 +/- 1.02   0.002% *  0.0742% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  25.61 +/- 0.68   0.000% *  0.4908% (0.92   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  25.63 +/- 0.55   0.000% *  0.2588% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  22.30 +/- 2.78   0.001% *  0.0742% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  24.74 +/- 0.33   0.000% *  0.1527% (0.29   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  25.20 +/- 0.60   0.000% *  0.0805% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.21 +/- 1.03   0.000% *  0.2186% (0.41   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  29.43 +/- 0.68   0.000% *  0.1621% (0.30   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  31.32 +/- 0.59   0.000% *  0.0680% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 5.59, residual support = 54.4:
      O   HN    ASN   35 - HB2   ASN   35   2.22 +/- 0.40  99.955% * 98.6092% (0.57   5.59  54.36) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35   9.69 +/- 0.63   0.021% *  0.3526% (0.57   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.44 +/- 0.30   0.020% *  0.1097% (0.18   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  17.25 +/- 2.33   0.001% *  0.3031% (0.49   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  16.59 +/- 0.64   0.001% *  0.1097% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  18.71 +/- 2.15   0.001% *  0.2124% (0.34   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  21.54 +/- 1.90   0.000% *  0.0943% (0.15   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  20.65 +/- 2.49   0.000% *  0.0661% (0.11   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  22.97 +/- 3.14   0.000% *  0.1091% (0.18   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  25.04 +/- 3.59   0.000% *  0.0339% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 54.4:
      O   HD21  ASN   35 - HB2   ASN   35   2.52 +/- 0.41  99.907% * 98.4696% (1.00   3.60  54.36) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28   9.90 +/- 1.11   0.077% *  0.1700% (0.31   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  12.33 +/- 0.38   0.013% *  0.1299% (0.24   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  18.92 +/- 0.53   0.001% *  0.4177% (0.76   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  18.77 +/- 0.54   0.001% *  0.1520% (0.28   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  21.81 +/- 1.20   0.000% *  0.1031% (0.19   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  28.66 +/- 0.94   0.000% *  0.3315% (0.61   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.11 +/- 0.38   0.000% *  0.0473% (0.09   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  24.61 +/- 1.46   0.000% *  0.0424% (0.08   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  31.19 +/- 1.41   0.000% *  0.1363% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.991, support = 2.33, residual support = 8.38:
        T HA    GLN   32 - HB2   ASN   35   2.38 +/- 0.40  97.301% * 93.8762% (0.99   2.33   8.38) =  99.997%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.96 +/- 0.02   1.890% *  0.0862% (0.11   0.02  32.51) =   0.002%
        T HA    LYS+  33 - HB2   ASN   35   5.72 +/- 0.23   0.649% *  0.1808% (0.22   0.02   0.37) =   0.001%
        T HA    GLN   32 - HB2   ASN   28   8.48 +/- 0.26   0.081% *  0.2503% (0.31   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASN   35   8.54 +/- 0.47   0.056% *  0.2770% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASN   28  11.15 +/- 0.20   0.013% *  0.0562% (0.07   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  15.86 +/- 0.71   0.001% *  0.3047% (0.38   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  18.66 +/- 1.19   0.001% *  0.3047% (0.38   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  15.84 +/- 0.89   0.002% *  0.1132% (0.14   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  15.80 +/- 0.23   0.002% *  0.0948% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  20.61 +/- 0.68   0.000% *  0.3640% (0.45   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  19.48 +/- 0.67   0.000% *  0.2110% (0.26   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  18.04 +/- 0.50   0.001% *  0.0948% (0.12   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  25.63 +/- 0.95   0.000% *  0.6782% (0.84   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  22.43 +/- 0.89   0.000% *  0.2476% (0.30   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  24.96 +/- 1.34   0.000% *  0.3640% (0.45   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  21.36 +/- 0.78   0.000% *  0.0948% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  29.16 +/- 1.01   0.000% *  0.7959% (0.98   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  29.55 +/- 1.11   0.000% *  0.7959% (0.98   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  24.95 +/- 0.69   0.000% *  0.2476% (0.30   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  25.55 +/- 0.84   0.000% *  0.3047% (0.38   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  22.72 +/- 0.54   0.000% *  0.1132% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  25.59 +/- 0.58   0.000% *  0.1099% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  29.69 +/- 0.65   0.000% *  0.0342% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.87, residual support = 46.1:
          QB    GLU-  36 - HB3   ASN   35   3.91 +/- 0.09  98.281% * 98.6140% (0.99   4.87  46.13) =  99.998%  kept
          HB2   LYS+  38 - HB3   ASN   35   8.02 +/- 0.37   1.355% *  0.0715% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HB3   ASN   35  10.90 +/- 0.37   0.221% *  0.3770% (0.92   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB3   ASN   35  11.87 +/- 0.54   0.139% *  0.2312% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  20.94 +/- 0.62   0.004% *  0.3941% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  31.00 +/- 0.66   0.000% *  0.3121% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.807, support = 5.15, residual support = 43.1:
          QB    GLU-  36 - HB2   ASN   35   4.68 +/- 0.21  33.307% * 84.9252% (0.99   5.27  46.13) =  77.437%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.28 +/- 0.50  60.619% * 13.5857% (0.18   4.75  32.51) =  22.546%  kept
          HB3   GLU-  29 - HB2   ASN   28   6.54 +/- 0.12   4.271% *  0.0933% (0.29   0.02  32.51) =   0.011%
          HB3   GLU-  29 - HB2   ASN   35  10.38 +/- 0.48   0.279% *  0.3000% (0.92   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HB2   ASN   35   8.38 +/- 0.48   1.040% *  0.0569% (0.18   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB2   ASN   35  11.19 +/- 0.50   0.178% *  0.1840% (0.57   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  11.42 +/- 0.22   0.151% *  0.1002% (0.31   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   ASN   28  11.64 +/- 0.34   0.137% *  0.0976% (0.30   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  19.65 +/- 0.76   0.006% *  0.3137% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.89 +/- 0.87   0.011% *  0.0177% (0.05   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  23.37 +/- 0.56   0.002% *  0.0773% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  29.61 +/- 0.99   0.001% *  0.2484% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 2.25, residual support = 8.38:
          HA    GLN   32 - HB3   ASN   35   2.82 +/- 0.37  98.138% * 88.9489% (0.49   2.25   8.38) =  99.968%  kept
          HA    LYS+  33 - HB3   ASN   35   5.70 +/- 0.20   1.744% *  1.4996% (0.92   0.02   0.37) =   0.030%
          HA    GLU-  29 - HB3   ASN   35   9.09 +/- 0.42   0.097% *  1.6102% (0.99   0.02   0.02) =   0.002%
          HA    VAL   70 - HB3   ASN   35  12.44 +/- 0.58   0.017% *  1.0509% (0.65   0.02   0.02) =   0.000%
        T HA    VAL   18 - HB3   ASN   35  16.98 +/- 0.73   0.002% *  1.6209% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  26.05 +/- 1.23   0.000% *  1.6209% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  26.99 +/- 0.68   0.000% *  1.2415% (0.76   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  28.34 +/- 0.52   0.000% *  1.0509% (0.65   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  30.84 +/- 1.04   0.000% *  0.8547% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  30.58 +/- 0.79   0.000% *  0.5014% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 54.4:
      O   HA    ASN   35 - HB3   ASN   35   2.97 +/- 0.03  99.755% * 97.1954% (0.90   3.95  54.36) =  99.999%  kept
          HA    LYS+  99 - HB3   ASN   35   8.70 +/- 0.37   0.164% *  0.4195% (0.76   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   ASN   35   9.99 +/- 0.56   0.075% *  0.3551% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  16.50 +/- 1.48   0.004% *  0.2461% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  20.39 +/- 2.76   0.001% *  0.2461% (0.45   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  25.17 +/- 0.65   0.000% *  0.5381% (0.98   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  26.92 +/- 0.56   0.000% *  0.5067% (0.92   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  26.85 +/- 0.68   0.000% *  0.2672% (0.49   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  31.38 +/- 0.76   0.000% *  0.2257% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 54.4:
      O   HD21  ASN   35 - HB3   ASN   35   2.68 +/- 0.40  99.998% * 98.8497% (1.00   3.26  54.36) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  19.98 +/- 0.92   0.001% *  0.4631% (0.76   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  19.65 +/- 0.58   0.001% *  0.1685% (0.28   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  30.03 +/- 0.96   0.000% *  0.3676% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  32.54 +/- 1.41   0.000% *  0.1511% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 5.91, residual support = 46.1:
          HN    GLU-  36 - HB3   ASN   35   2.60 +/- 0.11  99.718% * 98.9717% (0.97   5.91  46.13) =  99.999%  kept
          HN    THR   39 - HB3   ASN   35   7.22 +/- 0.22   0.242% *  0.3112% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   ASN   35  10.10 +/- 1.01   0.034% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  13.67 +/- 0.57   0.005% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  25.45 +/- 1.10   0.000% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 5.59, residual support = 54.4:
      O   HN    ASN   35 - HB3   ASN   35   2.95 +/- 0.29  99.999% * 99.6792% (0.97   5.59  54.36) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  23.07 +/- 3.29   0.001% *  0.3208% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 54.4:
      O   HD22  ASN   35 - HB3   ASN   35   3.71 +/- 0.19 100.000% *100.0000% (0.99   3.26  54.36) = 100.000%  kept
    Distance limit 4.54 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 = 0.923, support = 6.05, residual support = 46.1:
          HN    GLU-  36 - HB2   ASN   35   3.17 +/- 0.10  98.976% * 98.9280% (0.92   6.05  46.13) =  99.998%  kept
          HN    THR   39 - HB2   ASN   35   7.15 +/- 0.31   0.816% *  0.1863% (0.53   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   ASN   35   9.74 +/- 1.03   0.154% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB2   ASN   28  11.72 +/- 0.24   0.039% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  17.40 +/- 1.11   0.004% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  15.70 +/- 0.40   0.007% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  17.38 +/- 1.14   0.004% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  24.29 +/- 1.11   0.001% *  0.2005% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 4.89, residual support = 82.6:
      O T HA    GLU-  36 - QB    GLU-  36   2.41 +/- 0.18  99.993% * 98.7444% (0.84   4.89  82.59) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.39 +/- 0.32   0.006% *  0.1252% (0.26   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.42 +/- 0.53   0.000% *  0.2546% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  26.18 +/- 0.43   0.000% *  0.3514% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  21.83 +/- 0.36   0.000% *  0.1089% (0.22   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  25.34 +/- 0.64   0.000% *  0.1493% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  24.13 +/- 0.53   0.000% *  0.0789% (0.16   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  27.72 +/- 0.49   0.000% *  0.1077% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  26.61 +/- 0.64   0.000% *  0.0334% (0.07   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  32.43 +/- 0.62   0.000% *  0.0463% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.448, support = 3.7, residual support = 19.1:
          HN    SER   37 - QB    GLU-  36   3.30 +/- 0.26  86.968% * 95.6790% (0.45   3.70  19.11) =  99.956%  kept
          HN    LYS+  33 - QB    GLU-  36   4.71 +/- 0.25  10.501% *  0.3203% (0.28   0.02   0.02) =   0.040%
          HN    LYS+  33 - HB3   GLU-  29   6.12 +/- 0.39   2.410% *  0.0992% (0.09   0.02   0.02) =   0.003%
          HN    CYS   21 - HB3   GLU-  29  11.26 +/- 0.40   0.062% *  0.3444% (0.30   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.66 +/- 0.43   0.050% *  0.1600% (0.14   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  16.16 +/- 0.33   0.007% *  1.1118% (0.97   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  24.45 +/- 0.53   0.001% *  0.9994% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  27.94 +/- 0.89   0.000% *  0.7453% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  25.35 +/- 0.85   0.000% *  0.2309% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  28.39 +/- 0.48   0.000% *  0.3096% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.687, support = 7.31, residual support = 82.6:
      O   HN    GLU-  36 - QB    GLU-  36   2.09 +/- 0.11  99.877% * 99.0365% (0.69   7.31  82.59) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.55 +/- 0.43   0.110% *  0.1096% (0.28   0.02   0.17) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  12.10 +/- 0.95   0.003% *  0.3420% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29  10.18 +/- 0.26   0.008% *  0.0839% (0.21   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  16.75 +/- 0.43   0.000% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  14.22 +/- 0.35   0.001% *  0.0340% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  19.31 +/- 1.00   0.000% *  0.1059% (0.27   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  25.75 +/- 0.98   0.000% *  0.1217% (0.31   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.55 +/- 0.34   0.000% *  0.0305% (0.08   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  23.39 +/- 1.17   0.000% *  0.0377% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 4.85, residual support = 82.6:
          HN    GLU-  36 - HG2   GLU-  36   3.34 +/- 0.56  99.961% * 98.4014% (0.28   4.85  82.59) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  13.45 +/- 1.08   0.035% *  0.6544% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  18.87 +/- 0.86   0.004% *  0.9442% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 0.687, support = 4.85, residual support = 82.6:
          HN    GLU-  36 - HG3   GLU-  36   3.91 +/- 0.13  97.589% * 98.8127% (0.69   4.85  82.59) =  99.996%  kept
          HN    THR   39 - HG3   GLU-  36   8.11 +/- 1.51   2.334% *  0.1650% (0.28   0.02   0.17) =   0.004%
          HN    LYS+ 102 - HG3   GLU-  36  14.41 +/- 1.20   0.043% *  0.5146% (0.87   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  19.73 +/- 0.79   0.006% *  0.1479% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  20.07 +/- 3.48   0.012% *  0.0508% (0.09   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  19.25 +/- 3.01   0.012% *  0.0206% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  29.65 +/- 1.46   0.001% *  0.1831% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  27.11 +/- 2.84   0.001% *  0.0641% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  28.00 +/- 2.15   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  36.93 +/- 2.95   0.000% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.47, residual support = 82.6:
      O   HN    GLU-  36 - HA    GLU-  36   2.78 +/- 0.04  99.979% * 98.5809% (0.28   5.47  82.59) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  11.76 +/- 1.09   0.020% *  0.5809% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  17.69 +/- 0.48   0.002% *  0.8382% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 3.42, residual support = 25.9:
      O   HN    SER   37 - HB2   SER   37   3.32 +/- 0.49  99.994% * 98.6631% (0.98   3.42  25.86) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  17.70 +/- 0.88   0.005% *  0.2421% (0.41   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  23.61 +/- 0.84   0.001% *  0.5109% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  32.30 +/- 0.93   0.000% *  0.5838% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.473, support = 0.0186, residual support = 0.0186:
          HN    GLN   30 - HB3   SER   37  10.92 +/- 0.68  38.536% * 12.9780% (0.47   0.02   0.02) =  45.834%  kept
          HN    GLU-  29 - HB3   SER   37  13.17 +/- 0.64  12.278% * 22.4691% (0.82   0.02   0.02) =  25.284%  kept
          HN    VAL   18 - QB    SER   13  11.32 +/- 1.67  35.322% *  4.8772% (0.18   0.02   0.02) =  15.788%  kept
          HN    GLN   30 - QB    SER   13  15.93 +/- 2.68   6.556% *  9.9312% (0.36   0.02   0.02) =   5.967%  kept
          HN    GLU-  29 - QB    SER   13  17.98 +/- 2.79   2.812% * 17.1942% (0.63   0.02   0.02) =   4.432%
          HN    VAL   18 - HB3   SER   37  15.72 +/- 0.91   4.389% *  6.3735% (0.23   0.02   0.02) =   2.564%
          HN    ASP-  86 - HB3   SER   37  31.84 +/- 0.67   0.062% * 14.8290% (0.54   0.02   0.02) =   0.084%
          HN    ASP-  86 - QB    SER   13  33.35 +/- 2.57   0.046% * 11.3477% (0.41   0.02   0.02) =   0.048%
    Distance limit 4.36 A violated in 20 structures by 4.93 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 214.6:
      O   HN    LYS+  38 - HA    LYS+  38   2.25 +/- 0.15  97.115% * 99.5700% (0.92   6.07 214.56) =  99.998%  kept
          HN    SER   37 - HA    LYS+  38   4.32 +/- 0.14   1.968% *  0.0886% (0.25   0.02   8.40) =   0.002%
          HN    LYS+  38 - HA    GLU- 100   5.41 +/- 1.26   0.808% *  0.0198% (0.06   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   7.32 +/- 1.04   0.098% *  0.0054% (0.02   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  11.19 +/- 0.49   0.007% *  0.0548% (0.15   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  12.71 +/- 0.69   0.003% *  0.0033% (0.01   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  21.79 +/- 0.67   0.000% *  0.0703% (0.20   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  29.61 +/- 0.48   0.000% *  0.1730% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.66 +/- 0.37   0.000% *  0.0043% (0.01   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  30.02 +/- 0.52   0.000% *  0.0105% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.15, residual support = 30.2:
      O   HN    THR   39 - HA    LYS+  38   3.31 +/- 0.26  78.801% * 98.8604% (0.92   6.15  30.23) =  99.977%  kept
          HN    GLU-  36 - HA    LYS+  38   5.58 +/- 0.26   3.687% *  0.3294% (0.95   0.02   0.63) =   0.016%
          HN    LYS+ 102 - HA    LYS+  38   7.38 +/- 1.72   1.164% *  0.2788% (0.80   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HA    GLU- 100   4.60 +/- 0.39  13.006% *  0.0168% (0.05   0.02   0.02) =   0.003%
          HN    THR   39 - HA    GLU- 100   6.04 +/- 0.78   2.805% *  0.0194% (0.06   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    GLU- 100   7.90 +/- 0.67   0.528% *  0.0199% (0.06   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  17.17 +/- 0.48   0.004% *  0.1188% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  28.35 +/- 1.27   0.000% *  0.3294% (0.95   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  18.46 +/- 0.74   0.003% *  0.0072% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  27.68 +/- 1.18   0.000% *  0.0199% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.02, residual support = 8.4:
          HN    SER   37 - HB2   LYS+  38   5.29 +/- 0.24  99.948% * 32.1378% (1.00   0.02   8.40) =  99.973%  kept
          HN    ILE  119 - HB2   LYS+  38  22.53 +/- 0.75   0.017% * 25.7912% (0.80   0.02   0.02) =   0.014%
          HN    CYS   21 - HB2   LYS+  38  20.49 +/- 1.45   0.033% * 10.9869% (0.34   0.02   0.02) =   0.011%
          HN    ILE   89 - HB2   LYS+  38  32.80 +/- 0.75   0.002% * 31.0842% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.20 A violated in 20 structures by 1.09 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.71, residual support = 30.2:
          HN    THR   39 - HB2   LYS+  38   3.50 +/- 0.37  98.084% * 98.2103% (0.45   5.71  30.23) =  99.986%  kept
          HN    GLU-  36 - HB2   LYS+  38   7.21 +/- 0.37   1.345% *  0.6650% (0.87   0.02   0.63) =   0.009%
          HN    LYS+ 102 - HB2   LYS+  38   8.92 +/- 1.33   0.571% *  0.7515% (0.98   0.02   0.02) =   0.004%
          HD1   TRP   87 - HB2   LYS+  38  30.93 +/- 0.74   0.000% *  0.3732% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 214.5:
          HN    LYS+  38 - HG2   LYS+  38   3.04 +/- 0.11  90.537% * 99.4002% (0.80   5.85 214.56) =  99.984%  kept
          HN    SER   37 - HG2   LYS+  38   4.53 +/- 0.04   8.366% *  0.1593% (0.38   0.02   8.40) =   0.015%
          HN    LYS+  38 - HG2   LYS+  99   6.65 +/- 0.58   0.894% *  0.0926% (0.22   0.02   0.02) =   0.001%
          HN    SER   37 - HG2   LYS+  99   8.48 +/- 0.60   0.203% *  0.0434% (0.10   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  32.01 +/- 1.25   0.000% *  0.1448% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.50 +/- 0.49   0.000% *  0.0395% (0.09   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  32.34 +/- 0.82   0.000% *  0.0945% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  29.86 +/- 0.55   0.000% *  0.0258% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.801, support = 5.79, residual support = 214.5:
          HN    LYS+  38 - HG3   LYS+  38   3.38 +/- 0.13  87.648% * 99.5187% (0.80   5.79 214.56) =  99.979%  kept
          HN    SER   37 - HG3   LYS+  38   4.83 +/- 0.32  10.921% *  0.1612% (0.38   0.02   8.40) =   0.020%
          HN    LYS+  38 - HG3   LYS+  99   7.33 +/- 1.03   1.150% *  0.0359% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99   9.17 +/- 1.10   0.279% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  31.99 +/- 1.69   0.000% *  0.1465% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  32.50 +/- 1.21   0.000% *  0.0956% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.68 +/- 0.70   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  30.03 +/- 0.66   0.000% *  0.0100% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.959, support = 3.88, residual support = 38.2:
      O   HN    THR   39 - HA    THR   39   2.75 +/- 0.04  96.941% * 79.3751% (0.97   3.90  38.48) =  99.322%  kept
          HN    LYS+ 102 - HA    ILE  103   4.98 +/- 0.16   2.786% * 18.8149% (0.24   3.72  22.37) =   0.677%
          HN    GLU-  36 - HA    THR   39   8.45 +/- 0.72   0.170% *  0.3780% (0.90   0.02   0.17) =   0.001%
          HN    LYS+ 102 - HA    THR   39   9.17 +/- 0.75   0.077% *  0.3060% (0.73   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  11.76 +/- 0.46   0.016% *  0.1344% (0.32   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  13.96 +/- 0.59   0.006% *  0.1249% (0.30   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.95 +/- 0.69   0.001% *  0.1733% (0.41   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  18.09 +/- 0.68   0.001% *  0.0572% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  22.60 +/- 1.10   0.000% *  0.1365% (0.32   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  29.68 +/- 0.49   0.000% *  0.4131% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  22.28 +/- 0.96   0.000% *  0.0215% (0.05   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  29.01 +/- 0.69   0.000% *  0.0650% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 4.13, residual support = 24.5:
      O   HN    LEU   40 - HA    THR   39   2.59 +/- 0.24  98.963% * 99.1561% (0.57   4.13  24.53) =  99.997%  kept
          HN    GLY  101 - HA    THR   39   7.86 +/- 0.94   0.274% *  0.5150% (0.61   0.02   0.02) =   0.001%
          HN    GLY  101 - HA    ILE  103   6.04 +/- 0.21   0.730% *  0.1701% (0.20   0.02   0.02) =   0.001%
          HN    LEU   40 - HA    ILE  103  10.11 +/- 0.19   0.032% *  0.1588% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 1 structures by 0.02 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.9, residual support = 38.5:
      O   HN    THR   39 - HB    THR   39   2.51 +/- 0.27  99.720% * 98.3453% (0.97   3.90  38.48) =  99.999%  kept
          HN    GLU-  36 - HB    THR   39   6.99 +/- 0.32   0.253% *  0.4683% (0.90   0.02   0.17) =   0.001%
          HN    LYS+ 102 - HB    THR   39  10.61 +/- 0.84   0.025% *  0.3792% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  15.78 +/- 0.98   0.002% *  0.2147% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  28.67 +/- 1.02   0.000% *  0.5119% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  28.20 +/- 0.98   0.000% *  0.0806% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.0, residual support = 24.5:
          HN    LEU   40 - HB    THR   39   3.63 +/- 0.18  99.454% * 99.9106% (0.98   4.00  24.53) = 100.000%  kept
          HN    GLY  101 - HB    THR   39   8.81 +/- 0.96   0.546% *  0.0894% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.595, support = 0.02, residual support = 0.02:
          HN    LEU   71 - QG2   THR   39   2.85 +/- 1.01  99.559% *  9.9077% (0.60   0.02   0.02) =  99.795%  kept
          HN    GLU- 114 - QB    ALA   91  13.74 +/- 0.43   0.073% *  6.6763% (0.40   0.02   0.02) =   0.050%
          HN    PHE   60 - QB    ALA   91  12.51 +/- 0.89   0.178% *  2.3233% (0.14   0.02   0.02) =   0.042%
          HN    GLN  116 - QB    ALA   91  15.17 +/- 0.26   0.043% *  5.6891% (0.34   0.02   0.02) =   0.025%
          HN    THR  118 - QG2   THR   39  16.20 +/- 0.56   0.022% *  8.1660% (0.49   0.02   0.02) =   0.018%
          HN    LEU   71 - QG2   THR   23  16.55 +/- 0.59   0.025% *  5.5597% (0.33   0.02   0.02) =   0.014%
          HN    PHE   60 - QG2   THR   39  14.24 +/- 0.74   0.026% *  4.9200% (0.30   0.02   0.02) =   0.013%
          HN    GLN  116 - QG2   THR   39  18.60 +/- 0.58   0.009% * 12.0477% (0.72   0.02   0.02) =   0.011%
          HN    THR  118 - QB    ALA   91  16.33 +/- 0.34   0.026% *  3.8562% (0.23   0.02   0.02) =   0.010%
          HN    GLU- 114 - QG2   THR   39  19.95 +/- 0.70   0.006% * 14.1381% (0.85   0.02   0.02) =   0.009%
          HN    PHE   60 - QG2   THR   23  18.34 +/- 0.67   0.016% *  2.7609% (0.17   0.02   0.02) =   0.004%
          HN    LEU   71 - QB    ALA   91  19.53 +/- 0.36   0.009% *  4.6786% (0.28   0.02   0.02) =   0.004%
          HN    GLU- 114 - QG2   THR   23  25.01 +/- 0.60   0.003% *  7.9335% (0.48   0.02   0.02) =   0.002%
          HN    GLN  116 - QG2   THR   23  25.15 +/- 0.62   0.002% *  6.7605% (0.41   0.02   0.02) =   0.002%
          HN    THR  118 - QG2   THR   23  24.79 +/- 0.64   0.003% *  4.5823% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 1 structures by 0.15 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 3.93, residual support = 24.5:
          HN    LEU   40 - QG2   THR   39   2.03 +/- 0.36 100.000% * 99.4766% (0.66   3.93  24.53) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  19.33 +/- 0.71   0.000% *  0.2842% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  21.53 +/- 0.63   0.000% *  0.2392% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.583, support = 3.63, residual support = 16.7:
      O   HN    ALA   91 - QB    ALA   91   2.51 +/- 0.28  83.474% * 58.7580% (0.61   3.62  14.22) =  89.857%  kept
          HN    THR   39 - QG2   THR   39   3.48 +/- 0.41  14.569% * 37.9930% (0.38   3.75  38.48) =  10.141%  kept
          HN    TRP   27 - QG2   THR   23   5.42 +/- 0.56   1.688% *  0.0520% (0.10   0.02   2.32) =   0.002%
          HN    GLU-  36 - QG2   THR   39   7.40 +/- 0.69   0.144% *  0.0950% (0.18   0.02   0.17) =   0.000%
          HD1   TRP   87 - QB    ALA   91  11.12 +/- 0.79   0.011% *  0.4095% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39   9.15 +/- 0.95   0.069% *  0.0563% (0.11   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  10.25 +/- 1.73   0.022% *  0.1336% (0.25   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  13.70 +/- 1.14   0.005% *  0.2819% (0.53   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  13.61 +/- 0.67   0.004% *  0.2336% (0.44   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  15.83 +/- 0.36   0.001% *  0.4947% (0.92   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  13.98 +/- 0.84   0.003% *  0.1331% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  13.86 +/- 1.40   0.003% *  0.0431% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  15.58 +/- 0.64   0.002% *  0.0342% (0.06   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  23.50 +/- 0.93   0.000% *  0.4291% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  23.71 +/- 0.95   0.000% *  0.2011% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.66 +/- 0.55   0.001% *  0.0211% (0.04   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  21.69 +/- 1.52   0.000% *  0.1193% (0.22   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  19.11 +/- 0.69   0.001% *  0.0451% (0.08   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  24.06 +/- 0.81   0.000% *  0.1934% (0.36   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  23.09 +/- 0.98   0.000% *  0.1535% (0.29   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  18.05 +/- 0.68   0.001% *  0.0296% (0.06   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  17.41 +/- 1.54   0.001% *  0.0140% (0.03   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  25.22 +/- 1.26   0.000% *  0.0631% (0.12   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  21.24 +/- 1.02   0.000% *  0.0125% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 3.55, residual support = 14.2:
          HN    MET   92 - QB    ALA   91   3.01 +/- 0.37  98.429% * 96.9874% (0.87   3.55  14.20) =  99.991%  kept
          HN    THR   46 - QB    ALA   91   6.81 +/- 0.68   1.243% *  0.6174% (0.98   0.02   0.02) =   0.008%
          HN    LYS+  74 - QG2   THR   39  11.30 +/- 0.87   0.042% *  0.2580% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  13.17 +/- 0.55   0.019% *  0.5463% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23   9.30 +/- 0.49   0.156% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QB    ALA   91  11.62 +/- 0.31   0.038% *  0.2148% (0.34   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  11.22 +/- 0.53   0.047% *  0.0649% (0.10   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.29 +/- 0.71   0.005% *  0.2915% (0.46   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  17.35 +/- 2.33   0.006% *  0.1565% (0.25   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  15.24 +/- 1.85   0.011% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  20.51 +/- 0.77   0.001% *  0.2580% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  21.08 +/- 0.56   0.001% *  0.1015% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  23.53 +/- 3.32   0.001% *  0.0348% (0.06   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  32.44 +/- 2.74   0.000% *  0.3314% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  23.83 +/- 0.59   0.000% *  0.0226% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.579, support = 5.82, residual support = 104.1:
          HA    LEU   40 - QD2   LEU   40   2.19 +/- 0.30  92.226% * 63.0868% (0.61   6.09 108.93) =  95.528%  kept
          HA    LYS+  99 - QD2   LEU   40   3.50 +/- 0.19   7.705% * 35.3493% (0.80   2.59  15.55) =   4.472%
          HA    ASN   35 - QD2   LEU   40   7.80 +/- 0.39   0.054% *  0.3153% (0.92   0.02   0.02) =   0.000%
          HA    LEU  123 - QD2   LEU   40  11.53 +/- 0.33   0.006% *  0.3385% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  11.76 +/- 1.05   0.005% *  0.1404% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  13.94 +/- 0.32   0.002% *  0.3231% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  14.21 +/- 0.31   0.001% *  0.1531% (0.45   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.62 +/- 0.59   0.001% *  0.1531% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  16.58 +/- 1.14   0.001% *  0.1404% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 4.64, residual support = 108.9:
          HA    LEU   40 - QD1   LEU   40   3.90 +/- 0.09  89.081% * 97.6408% (0.99   4.64 108.93) =  99.982%  kept
          HA    LYS+  99 - QD1   LEU   40   5.75 +/- 0.24   9.202% *  0.1310% (0.31   0.02  15.55) =   0.014%
          HA    LEU  123 - QD1   LEU   40   9.25 +/- 0.32   0.516% *  0.2574% (0.61   0.02   0.02) =   0.002%
          HA    GLU-  15 - QD1   LEU   40  11.03 +/- 0.81   0.200% *  0.3806% (0.90   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40   9.77 +/- 0.44   0.386% *  0.1903% (0.45   0.02   0.02) =   0.001%
          HA    GLN   17 - QD1   LEU   40  10.30 +/- 0.44   0.276% *  0.1310% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  12.96 +/- 0.33   0.068% *  0.3917% (0.92   0.02   0.02) =   0.000%
          HA    SER   37 - QD1   LEU   40  11.21 +/- 0.25   0.162% *  0.1310% (0.31   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  13.25 +/- 0.40   0.060% *  0.2066% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  15.73 +/- 0.87   0.022% *  0.3806% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  15.09 +/- 0.26   0.027% *  0.1593% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.621, support = 0.0197, residual support = 0.0197:
        T HB3   HIS  122 - QD1   LEU   40   6.23 +/- 0.69  68.367% * 30.4714% (0.69   0.02   0.02) =  82.243%  kept
          QE    LYS+ 121 - QD1   LEU   40   7.56 +/- 1.14  27.492% * 15.1316% (0.34   0.02   0.02) =  16.423%  kept
          QE    LYS+  74 - QD1   LEU   40  10.48 +/- 1.18   3.818% *  7.7688% (0.18   0.02   0.02) =   1.171%
          HB3   ASP-  78 - QD1   LEU   40  20.49 +/- 0.56   0.058% * 39.7836% (0.90   0.02   0.02) =   0.091%
          QB    CYS   50 - QD1   LEU   40  15.94 +/- 0.48   0.265% *  6.8446% (0.15   0.02   0.02) =   0.071%
    Distance limit 4.21 A violated in 20 structures by 1.64 A, eliminated.
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.824, support = 0.0191, residual support = 0.0191:
          QD    PHE   59 - QD1   LEU   40   8.59 +/- 0.35  82.559% * 23.0961% (0.84   0.02   0.02) =  80.462%  kept
          HE21  GLN   30 - QD1   LEU   40  11.84 +/- 0.72  13.050% * 27.6510% (1.00   0.02   0.02) =  15.227%  kept
          HD1   TRP   27 - QD1   LEU   40  14.22 +/- 0.34   4.153% * 23.0961% (0.84   0.02   0.02) =   4.048%
          HH2   TRP   49 - QD1   LEU   40  22.97 +/- 0.88   0.239% * 26.1568% (0.95   0.02   0.02) =   0.263%
    Distance limit 4.27 A violated in 20 structures by 4.11 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.887, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QD2   LEU   40   9.40 +/- 0.21  58.738% * 23.0961% (0.84   0.02   0.02) =  55.492%  kept
          HE21  GLN   30 - QD2   LEU   40  10.66 +/- 0.95  29.422% * 27.6510% (1.00   0.02   0.02) =  33.278%  kept
          HD1   TRP   27 - QD2   LEU   40  12.36 +/- 0.53  11.489% * 23.0961% (0.84   0.02   0.02) =  10.854%  kept
          HH2   TRP   49 - QD2   LEU   40  22.24 +/- 0.85   0.351% * 26.1568% (0.95   0.02   0.02) =   0.376%
    Distance limit 4.03 A violated in 20 structures by 4.57 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.83, residual support = 21.1:
          HN    VAL   41 - QD2   LEU   40   1.91 +/- 0.35 100.000% *100.0000% (0.73   4.83  21.05) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.64, residual support = 11.0:
          HN    LEU   98 - QD2   LEU   40   2.42 +/- 0.23 100.000% *100.0000% (0.97   4.64  11.00) = 100.000%  kept
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.95, residual support = 108.9:
      O   HN    LEU   40 - HB3   LEU   40   2.68 +/- 0.20  99.858% * 99.8721% (0.98   4.95 108.93) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.75 +/- 0.83   0.140% *  0.0721% (0.18   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  17.98 +/- 0.51   0.001% *  0.0473% (0.12   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.37 +/- 0.55   0.001% *  0.0085% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 5.08, residual support = 108.9:
      O   HN    LEU   40 - HB2   LEU   40   2.38 +/- 0.23  99.889% * 99.9637% (0.76   5.08 108.93) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   7.67 +/- 0.63   0.111% *  0.0363% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.801, support = 3.99, residual support = 32.8:
          QG2   VAL   70 - HB2   LEU   40   2.89 +/- 0.57  73.911% * 99.9538% (0.80   3.99  32.80) =  99.984%  kept
          QG2   VAL   70 - HB2   LEU   67   3.59 +/- 0.28  26.089% *  0.0462% (0.07   0.02   0.35) =   0.016%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 32.8:
        T QG2   VAL   70 - HB3   LEU   40   2.15 +/- 0.67  99.988% * 99.9412% (0.98   3.99  32.80) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  11.95 +/- 0.37   0.012% *  0.0588% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.175, support = 5.34, residual support = 108.7:
      O T HA    LEU   40 - HG    LEU   40   3.00 +/- 0.19  84.627% * 84.5517% (0.18   5.35 108.93) =  99.759%  kept
          HA    LYS+  99 - HG    LEU   40   4.92 +/- 0.47   4.825% *  1.7689% (0.98   0.02  15.55) =   0.119%
          HA    ILE   56 - HG    LEU  115   5.53 +/- 0.84   4.541% *  0.9063% (0.50   0.02   0.02) =   0.057%
          HA    ASP- 113 - HG    LEU  115   5.43 +/- 0.94   3.954% *  0.9645% (0.53   0.02   0.02) =   0.053%
          HA    PHE   59 - HG    LEU  115   5.97 +/- 0.62   1.783% *  0.3564% (0.20   0.02  26.35) =   0.009%
        T HA    ASN   35 - HG    LEU   40   9.97 +/- 0.53   0.069% *  1.6185% (0.90   0.02   0.02) =   0.002%
          HA    LEU  123 - HG    LEU   40  12.95 +/- 0.60   0.014% *  1.3792% (0.76   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  10.99 +/- 1.48   0.049% *  0.3017% (0.17   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU   73  11.51 +/- 1.58   0.039% *  0.3298% (0.18   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  13.64 +/- 0.44   0.010% *  0.7985% (0.44   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  14.62 +/- 0.62   0.007% *  0.6156% (0.34   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73  10.52 +/- 1.55   0.071% *  0.0589% (0.03   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  17.44 +/- 0.72   0.003% *  1.5654% (0.87   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.44 +/- 0.68   0.001% *  1.6659% (0.92   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  20.75 +/- 0.69   0.001% *  1.0242% (0.57   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  17.70 +/- 0.33   0.002% *  0.2919% (0.16   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  17.16 +/- 0.46   0.003% *  0.1148% (0.06   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  19.24 +/- 0.84   0.001% *  0.1830% (0.10   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  25.49 +/- 0.85   0.000% *  0.9371% (0.52   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  21.55 +/- 1.11   0.001% *  0.2571% (0.14   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  24.77 +/- 0.82   0.000% *  0.3106% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 0.98, support = 4.0, residual support = 32.8:
        T QG2   VAL   70 - HG    LEU   40   3.21 +/- 0.77  98.917% * 99.6188% (0.98   4.00  32.80) =  99.999%  kept
        T QG2   VAL   70 - HG    LEU   73   7.75 +/- 0.86   1.054% *  0.0928% (0.18   0.02   0.02) =   0.001%
        T QG2   VAL   70 - HG    LEU  115  13.87 +/- 0.76   0.029% *  0.2883% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 32.8:
          QG2   VAL   70 - QD1   LEU   40   1.82 +/- 0.07 100.000% *100.0000% (0.80   3.47  32.80) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.5, residual support = 32.8:
          QG2   VAL   70 - QD2   LEU   40   2.73 +/- 0.50 100.000% *100.0000% (0.53   4.50  32.80) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 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   9.09 +/- 0.51 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.91 A violated in 20 structures by 6.17 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.742, support = 4.85, residual support = 108.9:
      O T HG    LEU   40 - QD2   LEU   40   2.12 +/- 0.02  74.641% * 35.1030% (0.65   4.34 108.93) =  61.968%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.60 +/- 0.31  25.182% * 63.8555% (0.90   5.69 108.93) =  38.031%  kept
          HG    LEU   67 - QD2   LEU   40   6.54 +/- 0.73   0.116% *  0.1913% (0.76   0.02   0.02) =   0.001%
        T HG    LEU   73 - QD2   LEU   40   8.53 +/- 1.32   0.030% *  0.0495% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.77 +/- 0.65   0.018% *  0.0696% (0.28   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.87 +/- 0.36   0.004% *  0.2498% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  11.53 +/- 0.35   0.003% *  0.1619% (0.65   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  13.62 +/- 0.66   0.001% *  0.2498% (1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  11.12 +/- 0.46   0.004% *  0.0696% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 0.232, support = 2.33, residual support = 15.5:
        T HB3   LYS+  99 - QD2   LEU   40   2.50 +/- 0.52  82.481% * 50.0315% (0.22   2.42  15.55) =  83.409%  kept
        T HB2   LYS+  99 - QD2   LEU   40   3.46 +/- 0.42  17.356% * 47.2903% (0.28   1.84  15.55) =  16.589%  kept
          HB    VAL   43 - QD2   LEU   40   7.11 +/- 0.25   0.150% *  0.6957% (0.38   0.02   0.02) =   0.002%
          QG1   ILE   56 - QD2   LEU   40  10.81 +/- 0.33   0.012% *  0.2860% (0.15   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  19.41 +/- 0.52   0.000% *  1.1243% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  21.01 +/- 0.72   0.000% *  0.5721% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.265, support = 0.0193, residual support = 0.0193:
          HB2   HIS  122 - QD2   LEU   40   7.85 +/- 0.33  61.075% * 19.5836% (0.31   0.02   0.02) =  71.642%  kept
          HA    LEU   63 - QD2   LEU   40   8.54 +/- 0.34  37.235% * 11.1120% (0.18   0.02   0.02) =  24.783%  kept
          HA    LYS+ 112 - QD2   LEU   40  14.94 +/- 0.34   1.293% * 35.9222% (0.57   0.02   0.02) =   2.782%
          HB2   HIS   22 - QD2   LEU   40  18.25 +/- 0.62   0.397% * 33.3822% (0.53   0.02   0.02) =   0.793%
    Distance limit 4.01 A violated in 20 structures by 3.23 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.49, residual support = 15.5:
          QE    LYS+  99 - QD2   LEU   40   3.79 +/- 0.31  98.929% * 98.7687% (0.69   4.49  15.55) =  99.993%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.91 +/- 0.36   0.651% *  0.6402% (1.00   0.02   0.02) =   0.004%
          QE    LYS+  38 - QD2   LEU   40   9.84 +/- 0.63   0.420% *  0.5910% (0.92   0.02   0.02) =   0.003%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 0.75, residual support = 0.944:
        T HB3   PHE   97 - QD2   LEU   40   2.49 +/- 0.33  99.768% * 90.4675% (0.84   0.75   0.94) =  99.993%  kept
          HB2   GLU- 100 - QD2   LEU   40   7.37 +/- 0.28   0.206% *  2.8627% (0.99   0.02   0.02) =   0.007%
          QG    GLN   32 - QD2   LEU   40  11.10 +/- 0.41   0.019% *  0.9852% (0.34   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  15.28 +/- 0.45   0.002% *  2.7322% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  15.50 +/- 0.57   0.002% *  1.8684% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  15.84 +/- 0.30   0.002% *  1.0840% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 108.9:
      O T HB2   LEU   40 - QD1   LEU   40   2.47 +/- 0.26  96.321% * 98.5824% (0.84   4.44 108.93) =  99.991%  kept
        T HB2   LEU   67 - QD1   LEU   40   4.36 +/- 0.30   3.601% *  0.2185% (0.41   0.02   0.02) =   0.008%
          HB    VAL   18 - QD1   LEU   40  10.22 +/- 0.90   0.030% *  0.3651% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - QD1   LEU   40   9.11 +/- 0.27   0.045% *  0.2383% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.28 +/- 1.31   0.003% *  0.1052% (0.20   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  18.96 +/- 0.36   0.001% *  0.4906% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 108.9:
      O   HB2   LEU   40 - QD2   LEU   40   3.10 +/- 0.18  98.409% * 96.0608% (0.34   5.44 108.93) =  99.984%  kept
        T HB2   LEU   67 - QD2   LEU   40   6.35 +/- 0.34   1.492% *  0.9281% (0.90   0.02   0.02) =   0.015%
          HB    VAL   18 - QD2   LEU   40  10.89 +/- 1.12   0.070% *  1.0348% (1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - QD2   LEU   40  12.69 +/- 0.36   0.022% *  0.5445% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  16.50 +/- 0.32   0.005% *  0.5037% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  19.48 +/- 0.35   0.002% *  0.9281% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.773, support = 4.54, residual support = 108.9:
      O T HB3   LEU   40 - QD1   LEU   40   2.26 +/- 0.24  40.063% * 58.7453% (0.90   4.66 108.93) =  50.336%  kept
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.01  57.918% * 40.0862% (0.65   4.41 108.93) =  49.655%  kept
        T HG    LEU   67 - QD1   LEU   40   4.19 +/- 0.80   1.994% *  0.2146% (0.76   0.02   0.02) =   0.009%
          QB    ALA  120 - QD1   LEU   40   9.53 +/- 0.30   0.007% *  0.2802% (1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QD1   LEU   40  10.90 +/- 0.43   0.003% *  0.1817% (0.65   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   9.79 +/- 1.08   0.007% *  0.0556% (0.20   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  12.78 +/- 0.71   0.001% *  0.2802% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  10.58 +/- 0.74   0.004% *  0.0781% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.34 +/- 0.33   0.002% *  0.0781% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 1.0, support = 4.44, residual support = 108.9:
      O T QD1   LEU   40 - HB2   LEU   40   2.47 +/- 0.26  69.963% * 99.3373% (1.00   4.44 108.93) =  99.981%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.97 +/- 0.32  27.021% *  0.0370% (0.08   0.02  61.51) =   0.014%
          QD2   LEU   67 - HB2   LEU   40   5.98 +/- 0.81   0.517% *  0.4012% (0.90   0.02   0.02) =   0.003%
        T QD1   LEU   40 - HB2   LEU   67   4.36 +/- 0.30   2.497% *  0.0412% (0.09   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   40  17.25 +/- 0.63   0.001% *  0.1679% (0.38   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.34 +/- 0.55   0.001% *  0.0155% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 4.66, residual support = 108.9:
      O T QD1   LEU   40 - HB3   LEU   40   2.26 +/- 0.24  99.468% * 99.3446% (1.00   4.66 108.93) =  99.998%  kept
          QD2   LEU   67 - HB3   LEU   40   5.80 +/- 0.73   0.491% *  0.3820% (0.90   0.02   0.02) =   0.002%
        T QD1   LEU   40 - HB3   LEU  115  10.90 +/- 0.43   0.010% *  0.0500% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  10.81 +/- 0.66   0.011% *  0.0448% (0.11   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   9.67 +/- 0.32   0.020% *  0.0188% (0.04   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.87 +/- 0.64   0.001% *  0.1599% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.867, support = 4.34, residual support = 108.9:
      O T QD2   LEU   40 - HG    LEU   40   2.12 +/- 0.02  92.906% * 96.5887% (0.87   4.34 108.93) =  99.992%  kept
        T QD1   LEU   67 - HG    LEU   40   4.76 +/- 0.66   0.978% *  0.4291% (0.84   0.02   0.02) =   0.005%
          QD1   ILE  119 - HG    LEU  115   3.74 +/- 0.44   5.780% *  0.0521% (0.10   0.02  12.36) =   0.003%
          QG2   ILE  103 - HG    LEU   40   7.62 +/- 0.42   0.045% *  0.3730% (0.73   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.28 +/- 0.73   0.066% *  0.0831% (0.16   0.02   0.24) =   0.000%
        T QD2   LEU   40 - HG    LEU   73   8.53 +/- 1.32   0.037% *  0.0831% (0.16   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   6.41 +/- 0.30   0.127% *  0.0168% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   40   8.89 +/- 0.95   0.022% *  0.0900% (0.18   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  11.02 +/- 0.69   0.005% *  0.2484% (0.48   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.11 +/- 0.86   0.017% *  0.0581% (0.11   0.02  45.79) =   0.000%
        T QD1   LEU   67 - HG    LEU   73  10.59 +/- 0.73   0.007% *  0.0800% (0.16   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  13.62 +/- 0.66   0.001% *  0.2580% (0.50   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.36 +/- 0.44   0.001% *  0.2160% (0.42   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  15.70 +/- 1.19   0.001% *  0.4456% (0.87   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  12.41 +/- 1.33   0.003% *  0.0695% (0.14   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   40  12.73 +/- 0.50   0.002% *  0.0900% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.58 +/- 1.28   0.000% *  0.3116% (0.61   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  16.94 +/- 1.07   0.000% *  0.1804% (0.35   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  18.43 +/- 0.90   0.000% *  0.2580% (0.50   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  18.16 +/- 0.88   0.000% *  0.0521% (0.10   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  16.22 +/- 0.74   0.000% *  0.0168% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.846, support = 3.64, residual support = 66.5:
      O T QG2   VAL   41 - QG1   VAL   41   2.09 +/- 0.02  72.078% * 71.6552% (0.87   3.90  71.80) =  87.898%  kept
          QD2   LEU   98 - QG1   VAL   41   2.70 +/- 0.68  27.233% * 26.1088% (0.69   1.79  27.91) =  12.101%  kept
        T QD1   LEU   73 - QG1   VAL   41   5.52 +/- 0.47   0.266% *  0.1309% (0.31   0.02   0.23) =   0.001%
          QD2   LEU   63 - QG2   VAL   18   7.59 +/- 0.71   0.035% *  0.2907% (0.69   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.76 +/- 0.71   0.075% *  0.1000% (0.24   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   8.01 +/- 0.67   0.025% *  0.2811% (0.66   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.26 +/- 0.59   0.046% *  0.1000% (0.24   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   9.67 +/- 0.75   0.008% *  0.3803% (0.90   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.15 +/- 0.58   0.141% *  0.0156% (0.04   0.02   6.99) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  10.28 +/- 1.09   0.006% *  0.2226% (0.52   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.31 +/- 0.46   0.010% *  0.1309% (0.31   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.30 +/- 0.54   0.049% *  0.0198% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  14.21 +/- 1.70   0.001% *  0.2226% (0.52   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   8.99 +/- 0.74   0.013% *  0.0204% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  14.45 +/- 1.00   0.001% *  0.2913% (0.69   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.17 +/- 0.57   0.012% *  0.0070% (0.02   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  11.13 +/- 0.75   0.004% *  0.0070% (0.02   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  18.69 +/- 1.50   0.000% *  0.0156% (0.04   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 = 0.175, support = 1.39, residual support = 9.18:
          QB    ALA   34 - QG2   VAL   41   3.01 +/- 0.23  99.296% * 83.0737% (0.18   1.39   9.18) =  99.983%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.55 +/- 0.46   0.477% *  1.3525% (0.20   0.02   0.02) =   0.008%
          QG2   THR   77 - QG2   VAL   41  10.32 +/- 0.18   0.067% *  6.4648% (0.95   0.02   0.02) =   0.005%
          HG2   LYS+  38 - QG2   VAL   41   9.47 +/- 0.50   0.118% *  1.9001% (0.28   0.02   0.02) =   0.003%
          QG2   THR   23 - QG2   VAL   41  11.56 +/- 0.63   0.039% *  3.0639% (0.45   0.02   0.02) =   0.001%
          QB    ALA   88 - QG2   VAL   41  17.91 +/- 0.43   0.002% *  4.1451% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.337, support = 2.29, residual support = 24.8:
        T QB    LEU   98 - QG2   VAL   41   3.60 +/- 0.47  53.177% * 75.8937% (0.34   2.54  27.91) =  88.664%  kept
          HG    LEU   73 - QG2   VAL   41   4.13 +/- 1.56  46.225% * 11.1468% (0.31   0.41   0.23) =  11.320%  kept
          HG12  ILE   19 - QG2   VAL   41   8.61 +/- 0.96   0.171% *  1.7514% (1.00   0.02   0.02) =   0.007%
          HB3   LEU   67 - QG2   VAL   41   8.99 +/- 0.30   0.140% *  1.2057% (0.69   0.02   0.02) =   0.004%
          HB3   LYS+  74 - QG2   VAL   41   9.23 +/- 0.44   0.109% *  1.0646% (0.61   0.02   0.02) =   0.003%
          QB    ALA   61 - QG2   VAL   41  11.63 +/- 0.29   0.028% *  1.4661% (0.84   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   VAL   41  10.56 +/- 0.54   0.060% *  0.3908% (0.22   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   VAL   41  13.30 +/- 0.18   0.013% *  1.7205% (0.98   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QG2   VAL   41  12.83 +/- 1.08   0.019% *  1.1355% (0.65   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   VAL   41  13.48 +/- 0.84   0.013% *  1.6940% (0.97   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  12.77 +/- 0.49   0.017% *  0.8544% (0.49   0.02   0.02) =   0.000%
        T HB2   LEU   80 - QG2   VAL   41  14.59 +/- 0.74   0.008% *  1.4055% (0.80   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  14.94 +/- 2.13   0.019% *  0.2708% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  10.46 +/- 0.34 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.36 A violated in 20 structures by 7.10 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.37, residual support = 71.8:
      O   HN    VAL   41 - HB    VAL   41   3.16 +/- 0.42 100.000% *100.0000% (0.47   4.37  71.80) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.55, residual support = 27.9:
          HN    LEU   98 - QG1   VAL   41   3.38 +/- 0.46  90.390% * 99.5416% (0.98   3.55  27.91) =  99.996%  kept
          HN    LEU   98 - QD2   LEU  104   5.32 +/- 0.66   9.527% *  0.0301% (0.05   0.02   6.99) =   0.003%
          HN    LEU   98 - QG2   VAL   18  11.10 +/- 0.87   0.084% *  0.4283% (0.75   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.608, support = 0.0199, residual support = 0.0199:
          QD    PHE   60 - HB    VAL   41  10.36 +/- 0.27  66.717% * 34.1212% (0.66   0.02   0.02) =  80.125%  kept
          QE    PHE   59 - HB    VAL   41  12.43 +/- 0.86  23.724% * 12.0603% (0.23   0.02   0.02) =  10.071%  kept
          HN    LYS+  66 - HB    VAL   41  14.57 +/- 0.40   8.846% * 29.5320% (0.57   0.02   0.02) =   9.195%  kept
          HN    LYS+  81 - HB    VAL   41  22.20 +/- 0.68   0.712% * 24.2865% (0.47   0.02   0.02) =   0.609%
    Distance limit 4.13 A violated in 20 structures by 5.57 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.24, residual support = 24.2:
      O   HN    VAL   42 - HA    VAL   41   2.19 +/- 0.00  99.387% * 99.2676% (0.98   5.24  24.22) =  99.998%  kept
          HN    LEU   73 - HA    VAL   41   5.23 +/- 0.34   0.570% *  0.3788% (0.98   0.02   0.23) =   0.002%
          HN    ILE   19 - HA    VAL   41   8.13 +/- 0.49   0.041% *  0.2344% (0.61   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  12.80 +/- 0.24   0.002% *  0.1193% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.05, residual support = 40.5:
      O   HN    VAL   43 - HA    VAL   42   2.24 +/- 0.04  99.999% * 99.9068% (0.90   5.05  40.47) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  17.06 +/- 0.27   0.001% *  0.0932% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.341, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   2.70 +/- 0.48  99.973% * 16.0745% (0.34   0.02   0.02) =  99.931%  kept
          QD1   ILE   89 - QG2   VAL   41  13.43 +/- 0.87   0.013% * 46.1912% (0.98   0.02   0.02) =   0.037%
          QG2   VAL   83 - QG2   VAL   41  12.77 +/- 0.67   0.014% * 37.7342% (0.80   0.02   0.02) =   0.032%
    Distance limit 3.34 A violated in 2 structures by 0.04 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2583 (1.82, 1.39, 32.90 ppm):
    18 chemical-shift based assignments, quality = 0.608, support = 0.0177, residual support = 12.4:
        T HB    VAL   41 - HB    VAL   42   6.52 +/- 0.24  35.068% *  8.6109% (0.84   0.02  24.22) =  48.603%  kept
          HB2   LEU   71 - HB    VAL   42   6.50 +/- 0.55  37.361% *  4.3431% (0.42   0.02   2.46) =  26.117%  kept
          QB    LYS+  66 - HB    VAL   42   8.90 +/- 0.20   5.529% *  8.9028% (0.87   0.02   0.02) =   7.923%  kept
          HB3   PRO   52 - HB2   LYS+ 112   8.17 +/- 0.55   9.756% *  3.8192% (0.37   0.02   0.02) =   5.998%  kept
          HG2   PRO   93 - HB2   LYS+ 112   9.06 +/- 0.51   5.263% *  5.4621% (0.53   0.02   0.02) =   4.627%
          HG12  ILE  103 - HB    VAL   42  10.68 +/- 0.88   2.342% *  7.7397% (0.75   0.02   0.02) =   2.917%
          QB    LYS+  65 - HB    VAL   42   9.98 +/- 0.23   2.765% *  4.6944% (0.46   0.02   0.02) =   2.089%
        T QB    LYS+ 102 - HB    VAL   42  12.79 +/- 0.56   0.660% *  5.7721% (0.56   0.02   0.02) =   0.613%
          HG2   PRO   93 - HB    VAL   42  14.96 +/- 0.78   0.258% *  7.7397% (0.75   0.02   0.02) =   0.322%
          HG    LEU  123 - HB    VAL   42  14.34 +/- 0.55   0.329% *  5.4118% (0.53   0.02   0.02) =   0.286%
          QB    LYS+  66 - HB2   LYS+ 112  15.78 +/- 0.51   0.179% *  6.2829% (0.61   0.02   0.02) =   0.181%
          HG    LEU  123 - HB2   LYS+ 112  15.31 +/- 0.73   0.218% *  3.8192% (0.37   0.02   0.02) =   0.134%
          HB3   PRO   52 - HB    VAL   42  18.34 +/- 0.87   0.077% *  5.4118% (0.53   0.02   0.02) =   0.067%
          QB    LYS+  65 - HB2   LYS+ 112  16.85 +/- 0.58   0.121% *  3.3129% (0.32   0.02   0.02) =   0.064%
          HG12  ILE  103 - HB2   LYS+ 112  21.47 +/- 0.67   0.028% *  5.4621% (0.53   0.02   0.02) =   0.025%
        T HB    VAL   41 - HB2   LYS+ 112  23.71 +/- 0.86   0.015% *  6.0769% (0.59   0.02   0.02) =   0.015%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.86 +/- 0.49   0.019% *  4.0735% (0.40   0.02   0.02) =   0.013%
          HB2   LEU   71 - HB2   LYS+ 112  24.97 +/- 0.41   0.011% *  3.0650% (0.30   0.02   0.02) =   0.006%
    Distance limit 3.74 A violated in 20 structures by 1.85 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.33, residual support = 87.7:
          HN    VAL   42 - QG2   VAL   42   2.66 +/- 0.31  93.268% * 99.1751% (0.64   5.33  87.70) =  99.974%  kept
          HN    LEU   73 - QG2   VAL   42   4.95 +/- 0.74   6.363% *  0.3718% (0.64   0.02   2.37) =   0.026%
          HN    LYS+ 106 - QG2   VAL   42   8.19 +/- 0.48   0.144% *  0.3718% (0.64   0.02   0.02) =   0.001%
          HN    ILE   19 - QG2   VAL   42   7.36 +/- 0.71   0.225% *  0.0813% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.17, residual support = 40.5:
          HN    VAL   43 - QG2   VAL   42   3.91 +/- 0.26 100.000% *100.0000% (0.72   5.17  40.47) = 100.000%  kept
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 87.7:
      O T HA    VAL   42 - QG1   VAL   42   2.45 +/- 0.20  90.913% * 96.9099% (0.97   4.00  87.70) =  99.979%  kept
          HA    THR   46 - QB    ALA   47   3.86 +/- 0.06   6.372% *  0.2202% (0.44   0.02  12.66) =   0.016%
          HA    GLN   90 - QB    ALA   47   4.55 +/- 0.39   2.566% *  0.1570% (0.31   0.02   0.02) =   0.005%
        T HA    GLN   17 - QG1   VAL   42   8.84 +/- 0.53   0.053% *  0.2939% (0.59   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.82 +/- 0.39   0.024% *  0.2549% (0.51   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   9.67 +/- 0.24   0.026% *  0.1163% (0.23   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42   9.87 +/- 0.48   0.023% *  0.1347% (0.27   0.02   0.02) =   0.000%
        T HA    PHE   55 - QB    ALA   47  11.32 +/- 0.49   0.011% *  0.2369% (0.47   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  12.85 +/- 0.31   0.005% *  0.2743% (0.55   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.79 +/- 0.12   0.002% *  0.4184% (0.83   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  14.16 +/- 0.46   0.003% *  0.2939% (0.59   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  17.17 +/- 0.59   0.001% *  0.2538% (0.51   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  16.64 +/- 0.61   0.001% *  0.1819% (0.36   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.60 +/- 0.40   0.000% *  0.2538% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.93, support = 0.749, residual support = 3.47:
          QD    PHE   60 - QG1   VAL   42   2.83 +/- 0.24  90.263% * 89.3673% (0.93   0.75   3.47) =  99.893%  kept
          QE    PHE   59 - QG1   VAL   42   4.66 +/- 0.98   9.262% *  0.8423% (0.33   0.02   0.02) =   0.097%
          HN    LYS+  66 - QG1   VAL   42   7.70 +/- 0.34   0.244% *  2.0626% (0.81   0.02   0.02) =   0.006%
          HN    LYS+  81 - QB    ALA   47   8.80 +/- 0.98   0.156% *  1.4648% (0.57   0.02   0.02) =   0.003%
          QD    PHE   60 - QB    ALA   47   9.82 +/- 0.32   0.058% *  2.0580% (0.80   0.02   0.02) =   0.001%
          QE    PHE   59 - QB    ALA   47  12.34 +/- 0.75   0.015% *  0.7274% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   42  17.56 +/- 0.78   0.002% *  1.6962% (0.66   0.02   0.02) =   0.000%
          HN    LYS+  66 - QB    ALA   47  18.28 +/- 0.30   0.001% *  1.7812% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 4.83, residual support = 74.0:
          HN    VAL   42 - QG1   VAL   42   3.67 +/- 0.20  58.445% * 76.9148% (0.77   5.46  87.70) =  83.888%  kept
          HN    LEU   73 - QG1   VAL   42   3.97 +/- 0.50  39.305% * 21.9592% (0.77   1.56   2.37) =  16.107%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.10 +/- 0.49   0.622% *  0.2816% (0.77   0.02   0.02) =   0.003%
          HN    ILE   19 - QG1   VAL   42   6.71 +/- 0.55   1.565% *  0.0616% (0.17   0.02   0.02) =   0.002%
          HN    LEU   73 - QB    ALA   47  13.21 +/- 0.20   0.028% *  0.2432% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.75 +/- 0.14   0.010% *  0.2432% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  16.89 +/- 0.16   0.006% *  0.2432% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.32 +/- 0.31   0.018% *  0.0532% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.17, residual support = 40.5:
          HN    VAL   43 - QG1   VAL   42   2.42 +/- 0.37  99.980% * 99.3994% (0.40   5.17  40.47) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  13.05 +/- 0.11   0.006% *  0.3318% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  12.02 +/- 0.30   0.010% *  0.1245% (0.13   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  13.80 +/- 0.56   0.004% *  0.1442% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.431, support = 0.0199, residual support = 0.0199:
          HN    LEU  104 - QG1   VAL   42   7.56 +/- 0.43  99.611% * 53.6601% (0.43   0.02   0.02) =  99.664%  kept
          HN    LEU  104 - QB    ALA   47  19.20 +/- 0.21   0.389% * 46.3399% (0.37   0.02   0.02) =   0.336%
    Distance limit 4.21 A violated in 20 structures by 3.34 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.9, residual support = 15.5:
          HN    TRP   49 - QB    ALA   47   2.57 +/- 0.11  99.903% * 95.2670% (0.29   3.90  15.46) =  99.999%  kept
          HE22  GLN   30 - QG1   VAL   42   9.36 +/- 0.71   0.049% *  0.8793% (0.53   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG1   VAL   42   9.60 +/- 0.68   0.042% *  1.0114% (0.61   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    ALA   47  14.62 +/- 0.72   0.003% *  1.1480% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.33 +/- 0.43   0.002% *  0.3737% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  22.78 +/- 0.45   0.000% *  1.3205% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.389, support = 2.36, residual support = 10.3:
      O   HN    ALA   47 - QB    ALA   47   2.24 +/- 0.07  99.417% * 96.0103% (0.39   2.36  10.27) =  99.991%  kept
          QD    PHE   95 - QG1   VAL   42   5.40 +/- 0.36   0.561% *  1.4606% (0.70   0.02   1.48) =   0.009%
          QD    PHE   95 - QB    ALA   47   9.54 +/- 0.23   0.017% *  1.9070% (0.91   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.62 +/- 0.38   0.005% *  0.6222% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.644, support = 2.65, residual support = 25.2:
          HB    VAL   42 - QG1   VAL   43   5.02 +/- 0.12   5.842% * 88.9026% (0.62   4.83  40.47) =  51.517%  kept
        T HB3   LEU   73 - QG1   VAL   43   3.33 +/- 0.16  69.176% *  6.9438% (0.69   0.34   9.21) =  47.644%  kept
          HG    LEU   98 - QG1   VAL   43   4.57 +/- 1.21  22.948% *  0.3469% (0.58   0.02   0.02) =   0.790%
          HB3   ASP-  44 - QG1   VAL   43   6.40 +/- 0.34   1.427% *  0.2012% (0.34   0.02  15.18) =   0.028%
          HG3   LYS+ 106 - QG1   VAL   43   8.99 +/- 0.67   0.188% *  0.5072% (0.85   0.02   0.02) =   0.009%
          HB3   PRO   93 - QG1   VAL   43  10.42 +/- 0.49   0.076% *  0.4294% (0.72   0.02   0.02) =   0.003%
          HG3   LYS+  33 - QG1   VAL   43  10.84 +/- 0.67   0.062% *  0.3252% (0.54   0.02   0.02) =   0.002%
          HB2   LEU   63 - QG1   VAL   43   9.57 +/- 0.34   0.124% *  0.1491% (0.25   0.02   0.02) =   0.002%
          QB    ALA   84 - QG1   VAL   43  11.44 +/- 0.20   0.042% *  0.4098% (0.69   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QG1   VAL   43  11.91 +/- 0.72   0.034% *  0.4294% (0.72   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QG1   VAL   43  13.77 +/- 0.47   0.014% *  0.3683% (0.62   0.02   0.02) =   0.001%
          HB3   LEU   80 - QG1   VAL   43  11.25 +/- 0.71   0.049% *  0.1061% (0.18   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QG1   VAL   43  16.87 +/- 0.50   0.004% *  0.4651% (0.78   0.02   0.02) =   0.000%
          QB    ALA  124 - QG1   VAL   43  15.87 +/- 0.76   0.006% *  0.2821% (0.47   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  16.59 +/- 2.04   0.008% *  0.1337% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.27, support = 2.09, residual support = 9.13:
        T HH2   TRP   27 - QG1   VAL   43   1.79 +/- 0.07  66.193% * 39.5065% (0.31   1.41   9.13) =  56.115%  kept
        T HZ3   TRP   27 - QG1   VAL   43   2.03 +/- 0.19  33.807% * 60.4935% (0.22   2.96   9.13) =  43.885%  kept
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.22, residual support = 60.3:
          HN    VAL   43 - QG1   VAL   43   2.56 +/- 0.26 100.000% *100.0000% (0.80   5.22  60.32) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.389, support = 3.7, residual support = 15.2:
          HN    ASP-  44 - QG2   VAL   43   2.87 +/- 0.16  87.494% * 97.7031% (0.39   3.71  15.18) =  99.963%  kept
          HN    ASN   28 - QD2   LEU   31   4.25 +/- 0.46  11.584% *  0.2466% (0.18   0.02  19.09) =   0.033%
          HN    ASN   28 - QG2   VAL   43   8.08 +/- 0.40   0.199% *  0.8596% (0.63   0.02   0.02) =   0.002%
          HN    ASP-  44 - QD2   LEU   31   7.02 +/- 0.19   0.425% *  0.1513% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - QG2   VAL   43   9.77 +/- 0.54   0.065% *  0.4899% (0.36   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD2   LEU   31   7.90 +/- 0.39   0.215% *  0.1406% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  14.01 +/- 0.27   0.007% *  0.3177% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  12.97 +/- 0.42   0.011% *  0.0911% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.23, residual support = 60.3:
      O   HN    VAL   43 - HB    VAL   43   2.62 +/- 0.16 100.000% *100.0000% (0.87   4.23  60.32) = 100.000%  kept
    Distance limit 3.88 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 = 16.4:
          HN    MET   96 - HB    VAL   43   3.11 +/- 0.22 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 12.4:
        T QD    PHE   45 - HB3   ASP-  44   6.31 +/- 0.18 100.000% *100.0000% (0.80   0.02  12.38) = 100.000%  kept
    Distance limit 4.28 A violated in 20 structures by 2.03 A, eliminated.
    Peak unassigned.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.33, residual support = 34.9:
      O   HN    ASP-  44 - HB3   ASP-  44   3.04 +/- 0.44  99.984% * 99.1417% (0.98   3.33  34.90) = 100.000%  kept
          HN    GLU-  25 - HB3   ASP-  44  15.99 +/- 1.02   0.005% *  0.5860% (0.97   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASP-  44  14.30 +/- 0.88   0.010% *  0.2722% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.0, residual support = 5.98:
          HA    LYS+  74 - HB2   ASP-  44   3.42 +/- 0.43  99.914% * 99.1394% (0.92   2.00   5.98) =  99.999%  kept
        T HA    MET   92 - HB2   ASP-  44  11.59 +/- 0.54   0.086% *  0.8606% (0.80   0.02   0.02) =   0.001%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.03, residual support = 34.9:
      O   HN    ASP-  44 - HB2   ASP-  44   2.80 +/- 0.29  99.988% * 99.0564% (0.98   3.03  34.90) = 100.000%  kept
          HN    GLU-  25 - HB2   ASP-  44  15.35 +/- 0.46   0.004% *  0.6443% (0.97   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASP-  44  13.78 +/- 0.38   0.008% *  0.2993% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.499, support = 3.9, residual support = 24.0:
      O   HN    ASP-  44 - HA    ASP-  44   2.91 +/- 0.00  20.102% * 80.4765% (0.80   3.76  34.90) =  51.731%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.31 +/- 0.03  79.885% * 18.8954% (0.18   4.04  12.38) =  48.269%  kept
          HN    ALA  110 - HA    ASP-  44   9.98 +/- 0.37   0.013% *  0.1821% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  15.79 +/- 0.45   0.001% *  0.4459% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 4.08:
          HA    PHE   95 - HA    ASP-  44   3.21 +/- 0.19 100.000% *100.0000% (0.87   2.00   4.08) = 100.000%  kept
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.2:
        T HB    THR   94 - HB2   PHE   45   2.91 +/- 0.27  99.883% * 93.5636% (0.65   2.96  27.23) =  99.999%  kept
          QB    SER   48 - HB2   PHE   45  11.09 +/- 0.25   0.038% *  0.7476% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  11.03 +/- 0.75   0.045% *  0.3337% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PHE   45  15.02 +/- 0.48   0.006% *  0.9440% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.99 +/- 0.53   0.010% *  0.4761% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  18.14 +/- 0.29   0.002% *  0.9030% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.41 +/- 0.41   0.005% *  0.2439% (0.25   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45  15.01 +/- 0.45   0.006% *  0.1713% (0.18   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  19.87 +/- 0.46   0.001% *  0.9253% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.65 +/- 0.49   0.001% *  0.9440% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.29 +/- 0.29   0.001% *  0.5538% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  18.89 +/- 0.49   0.002% *  0.1936% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.31, residual support = 11.0:
          QG2   THR   77 - HB2   PHE   45   3.73 +/- 0.09  96.932% * 95.4437% (0.45   2.31  11.00) =  99.972%  kept
          QG2   ILE   56 - HB2   PHE   45   6.75 +/- 0.40   2.923% *  0.8258% (0.45   0.02   0.02) =   0.026%
          QG2   THR   23 - HB2   PHE   45  13.49 +/- 0.58   0.045% *  1.7425% (0.95   0.02   0.02) =   0.001%
          QB    ALA   34 - HB2   PHE   45  13.31 +/- 0.23   0.047% *  1.1916% (0.65   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   PHE   45  13.21 +/- 0.42   0.051% *  0.2842% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   PHE   45  22.88 +/- 1.31   0.002% *  0.5122% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.974, support = 0.0195, residual support = 0.0195:
        T QG2   ILE   89 - HB2   PHE   45   6.97 +/- 0.39  95.073% * 57.3745% (1.00   0.02   0.02) =  97.636%  kept
          QG1   VAL   83 - HB2   PHE   45  12.12 +/- 0.88   3.668% * 32.5551% (0.57   0.02   0.02) =   2.138%
          QD1   LEU  104 - HB2   PHE   45  14.59 +/- 0.61   1.258% * 10.0704% (0.18   0.02   0.02) =   0.227%
    Distance limit 4.15 A violated in 20 structures by 2.82 A, eliminated.
    Peak unassigned.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.73, residual support = 11.0:
          QG2   THR   77 - HB3   PHE   45   2.38 +/- 0.10  99.961% * 97.2976% (0.87   2.73  11.00) = 100.000%  kept
          QB    ALA   88 - HB3   PHE   45  12.13 +/- 0.43   0.006% *  0.8156% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   PHE   45   9.70 +/- 0.94   0.027% *  0.1628% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   PHE   45  12.87 +/- 0.75   0.004% *  0.3088% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  15.20 +/- 0.44   0.002% *  0.2540% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.28 +/- 0.41   0.000% *  0.5323% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  23.73 +/- 0.75   0.000% *  0.6289% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
        T QG2   ILE   89 - HB3   PHE   45   5.82 +/- 0.42 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.98 A violated in 20 structures by 1.84 A, eliminated.
    Peak unassigned.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.91, residual support = 77.1:
      O   QD    PHE   45 - HB2   PHE   45   2.32 +/- 0.03  99.998% * 98.4729% (0.65   3.91  77.07) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.17 +/- 0.38   0.001% *  0.6980% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  20.27 +/- 0.34   0.000% *  0.6751% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  21.40 +/- 1.27   0.000% *  0.1540% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.726, support = 3.65, residual support = 77.1:
      O   HN    PHE   45 - HB2   PHE   45   2.15 +/- 0.04  99.736% * 98.9582% (0.73   3.65  77.07) =  99.999%  kept
          HN    ASP-  44 - HB2   PHE   45   5.92 +/- 0.08   0.232% *  0.1663% (0.22   0.02  12.38) =   0.000%
          HN    ALA  110 - HB2   PHE   45   8.28 +/- 0.33   0.032% *  0.6894% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  14.92 +/- 0.39   0.001% *  0.1862% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.61, residual support = 77.1:
      O   QD    PHE   45 - HB3   PHE   45   2.51 +/- 0.05  99.998% * 98.7022% (0.65   4.61  77.07) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.85 +/- 0.37   0.001% *  0.5932% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  21.74 +/- 0.38   0.000% *  0.5737% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  21.74 +/- 1.38   0.000% *  0.1309% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.726, support = 3.98, residual support = 77.1:
      O   HN    PHE   45 - HB3   PHE   45   3.44 +/- 0.02  97.861% * 99.0432% (0.73   3.98  77.07) =  99.995%  kept
          HN    ASP-  44 - HB3   PHE   45   6.71 +/- 0.08   1.794% *  0.1527% (0.22   0.02  12.38) =   0.003%
          HN    ALA  110 - HB3   PHE   45   8.95 +/- 0.29   0.324% *  0.6331% (0.92   0.02   0.02) =   0.002%
          HN    GLU-  25 - HB3   PHE   45  14.00 +/- 0.35   0.022% *  0.1710% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 1.21, residual support = 3.95:
          HA    ASP-  76 - QG2   THR   46   3.11 +/- 0.37 100.000% *100.0000% (0.41   1.21   3.95) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.39, residual support = 34.5:
          HN    THR   46 - QG2   THR   46   2.35 +/- 0.15  99.629% * 97.6980% (0.76   3.39  34.52) =  99.998%  kept
          HN    LYS+  74 - QG2   THR   46   6.66 +/- 0.39   0.195% *  0.7552% (1.00   0.02   0.02) =   0.002%
          HN    MET   92 - QG2   THR   46   7.28 +/- 1.39   0.171% *  0.4275% (0.57   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   46  12.60 +/- 0.56   0.005% *  0.4885% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  25.09 +/- 2.26   0.000% *  0.6308% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.249, support = 3.21, residual support = 12.7:
          HN    ALA   47 - QG2   THR   46   3.50 +/- 0.28  98.073% * 97.9533% (0.25   3.21  12.66) =  99.959%  kept
          QD    PHE   95 - QG2   THR   46   7.09 +/- 0.53   1.927% *  2.0467% (0.84   0.02   0.02) =   0.041%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.299, support = 0.741, residual support = 0.471:
          QB    CYS   50 - QG2   THR   46   3.86 +/- 0.60  28.787% * 75.5985% (0.31   0.99   0.68) =  68.631%  kept
          QE    LYS+  74 - QG2   THR   46   3.14 +/- 0.83  70.964% * 14.0013% (0.28   0.20   0.02) =  31.334%  kept
          HB2   PHE   72 - QG2   THR   46   8.62 +/- 0.98   0.209% *  4.9513% (1.00   0.02   0.02) =   0.033%
          HA    ALA   64 - QG2   THR   46  11.08 +/- 0.47   0.038% *  2.0401% (0.41   0.02   0.02) =   0.002%
          HB3   ASN   69 - QG2   THR   46  18.46 +/- 0.59   0.002% *  3.4087% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.74:
      O   HN    SER   48 - HA    SER   48   2.78 +/- 0.05  99.993% * 99.4917% (0.49   2.61   9.74) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  14.14 +/- 1.30   0.007% *  0.3348% (0.21   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  23.77 +/- 0.51   0.000% *  0.1735% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 2.61, residual support = 9.74:
      O   HN    SER   48 - QB    SER   48   2.27 +/- 0.19  99.993% * 99.6158% (0.95   2.61   9.74) = 100.000%  kept
          HN    SER   48 - QB    SER   85  11.41 +/- 0.94   0.007% *  0.1859% (0.23   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  22.73 +/- 0.36   0.000% *  0.1983% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.946, support = 4.01, residual support = 86.6:
      O   HN    TRP   49 - HB2   TRP   49   3.52 +/- 0.24  79.223% * 99.3319% (0.95   4.01  86.62) =  99.979%  kept
          HN    CYS   50 - HB2   TRP   49   4.43 +/- 0.15  20.776% *  0.0808% (0.15   0.02   2.77) =   0.021%
          HE22  GLN   30 - HB2   TRP   49  21.69 +/- 0.89   0.002% *  0.4836% (0.92   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  31.61 +/- 0.78   0.000% *  0.1037% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 4.64, residual support = 86.6:
      O   HD1   TRP   49 - HB2   TRP   49   3.86 +/- 0.05  99.978% * 98.6873% (0.80   4.64  86.62) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  18.08 +/- 1.09   0.010% *  0.4903% (0.92   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  17.97 +/- 0.56   0.010% *  0.0819% (0.15   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  26.29 +/- 0.75   0.001% *  0.2381% (0.45   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  31.16 +/- 1.22   0.000% *  0.5024% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 4.01, residual support = 86.6:
      O   HN    TRP   49 - HB3   TRP   49   3.15 +/- 0.21  88.861% * 99.3319% (0.79   4.01  86.62) =  99.990%  kept
          HN    CYS   50 - HB3   TRP   49   4.55 +/- 0.15  11.138% *  0.0808% (0.13   0.02   2.77) =   0.010%
          HE22  GLN   30 - HB3   TRP   49  20.97 +/- 0.88   0.001% *  0.4836% (0.77   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  31.33 +/- 0.79   0.000% *  0.1037% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 4.64, residual support = 86.6:
      O   HD1   TRP   49 - HB3   TRP   49   2.79 +/- 0.11  99.996% * 98.6873% (0.67   4.64  86.62) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  17.06 +/- 1.10   0.002% *  0.4903% (0.77   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  17.06 +/- 0.72   0.002% *  0.0819% (0.13   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.08 +/- 0.69   0.000% *  0.2381% (0.37   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  30.67 +/- 1.32   0.000% *  0.5024% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.701, support = 0.0193, residual support = 0.0193:
          HB2   PRO   52 - HB3   TRP   49  12.40 +/- 1.09  94.882% * 45.9163% (0.72   0.02   0.02) =  96.726%  kept
          HB2   ASP-  62 - HB3   TRP   49  22.49 +/- 0.90   2.800% * 45.9163% (0.72   0.02   0.02) =   2.854%
          HG2   MET   96 - HB3   TRP   49  23.35 +/- 0.39   2.318% *  8.1674% (0.13   0.02   0.02) =   0.420%
    Distance limit 4.34 A violated in 20 structures by 8.05 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.416, support = 0.0191, residual support = 0.0191:
          QG    GLU-  79 - HB3   TRP   49  12.07 +/- 0.84  57.658% * 13.9029% (0.41   0.02   0.02) =  53.230%  kept
          HB3   PHE   45 - HB3   TRP   49  13.48 +/- 0.18  29.421% * 16.1708% (0.47   0.02   0.02) =  31.592%  kept
          QE    LYS+ 112 - HB3   TRP   49  16.36 +/- 1.05   9.863% * 16.1708% (0.47   0.02   0.02) =  10.590%  kept
          HB    VAL  107 - HB3   TRP   49  20.93 +/- 0.67   2.155% * 27.0190% (0.79   0.02   0.02) =   3.866%
          QG    GLN   32 - HB3   TRP   49  27.81 +/- 0.97   0.388% * 22.8711% (0.67   0.02   0.02) =   0.589%
          HG2   GLU-  29 - HB3   TRP   49  26.44 +/- 0.70   0.516% *  3.8655% (0.11   0.02   0.02) =   0.132%
    Distance limit 4.42 A violated in 20 structures by 6.59 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.21, residual support = 9.97:
          QB    ALA   47 - QB    CYS   50   2.77 +/- 0.56  99.856% * 98.9858% (0.65   4.21   9.97) =  99.999%  kept
          QB    ALA   64 - QB    CYS   50  11.55 +/- 0.84   0.059% *  0.4701% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   42 - QB    CYS   50  11.31 +/- 0.57   0.050% *  0.3823% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  11.33 +/- 0.78   0.035% *  0.1618% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 1.5, residual support = 5.94:
        T HB2   CYS   53 - QB    CYS   50   2.32 +/- 0.55  96.497% * 96.1176% (1.00   1.50   5.94) =  99.965%  kept
          HD3   PRO   52 - QB    CYS   50   5.09 +/- 0.70   3.432% *  0.9327% (0.73   0.02   0.02) =   0.035%
          HD2   PRO   58 - QB    CYS   50   8.49 +/- 0.54   0.067% *  0.6252% (0.49   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  16.24 +/- 0.57   0.002% *  0.5280% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  16.50 +/- 0.71   0.002% *  0.2860% (0.22   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  20.53 +/- 0.70   0.000% *  1.0285% (0.80   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.53 +/- 0.57   0.000% *  0.4821% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.8, support = 1.44, residual support = 7.0:
      O   HN    CYS   50 - QB    CYS   50   2.40 +/- 0.33  96.777% * 97.8971% (0.80   1.44   7.00) =  99.963%  kept
          HN    TRP   49 - QB    CYS   50   4.27 +/- 0.36   3.219% *  1.0994% (0.65   0.02   2.77) =   0.037%
          HN    VAL   83 - QB    CYS   50  14.92 +/- 0.50   0.002% *  0.5797% (0.34   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  15.86 +/- 0.88   0.002% *  0.4238% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 9.27:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.995% * 94.9840% (0.87   2.81   9.27) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   9.51 +/- 0.47   0.004% *  0.7779% (1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  14.72 +/- 0.85   0.000% *  0.7524% (0.97   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  16.93 +/- 1.16   0.000% *  0.5044% (0.65   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  19.94 +/- 0.58   0.000% *  0.4729% (0.61   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  16.82 +/- 0.31   0.000% *  0.1055% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  24.82 +/- 0.43   0.000% *  0.7375% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  23.07 +/- 0.32   0.000% *  0.4414% (0.57   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.63 +/- 0.38   0.000% *  0.7197% (0.92   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  26.89 +/- 0.85   0.000% *  0.5044% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.935, support = 1.39, residual support = 10.6:
          QB    PHE   55 - HB2   PRO   52   4.01 +/- 0.23  90.448% * 14.1003% (0.92   0.75   1.23) =  80.906%  kept
          HB3   CYS   53 - HB2   PRO   52   7.04 +/- 0.51   3.565% * 83.7750% (0.99   4.15  50.59) =  18.946%  kept
          HD3   PRO   93 - HB2   PRO   52   6.99 +/- 1.04   4.908% *  0.3993% (0.98   0.02   0.02) =   0.124%
          HD2   ARG+  54 - HB2   PRO   52   9.13 +/- 0.66   0.779% *  0.3931% (0.97   0.02   0.02) =   0.019%
          HB2   PHE   59 - HB2   PRO   52  11.51 +/- 0.59   0.163% *  0.2798% (0.69   0.02   0.02) =   0.003%
          HD3   PRO   93 - HG2   MET   96  14.40 +/- 0.47   0.045% *  0.1173% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  14.65 +/- 0.38   0.040% *  0.0822% (0.20   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.76 +/- 0.52   0.018% *  0.1186% (0.29   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  16.63 +/- 0.54   0.019% *  0.1105% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  18.51 +/- 0.59   0.010% *  0.1155% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  26.15 +/- 0.94   0.001% *  0.3931% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  23.19 +/- 0.78   0.003% *  0.1155% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.492, support = 1.2, residual support = 7.12:
          QB    PHE   55 - HB3   PRO   52   3.53 +/- 0.09  87.029% * 25.0528% (0.53   0.75   1.23) =  87.877%  kept
          HB3   CYS   53 - HB3   PRO   52   6.00 +/- 0.46   4.102% * 72.2042% (0.25   4.56  50.59) =  11.938%  kept
        T HD3   PRO   93 - HB3   PRO   52   5.76 +/- 0.99   8.354% *  0.5220% (0.41   0.02   0.02) =   0.176%
          HB2   PHE   59 - HB3   PRO   52  10.15 +/- 0.52   0.160% *  1.0168% (0.80   0.02   0.02) =   0.007%
        T HD2   ARG+  54 - HB3   PRO   52   9.22 +/- 0.52   0.300% *  0.2513% (0.20   0.02   0.02) =   0.003%
          HD3   PRO   93 - QB    LYS+  81  14.20 +/- 1.22   0.027% *  0.0599% (0.05   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  15.04 +/- 1.36   0.018% *  0.0363% (0.03   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB3   PRO   52  24.71 +/- 0.93   0.001% *  0.5693% (0.45   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  18.38 +/- 1.15   0.005% *  0.0766% (0.06   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  22.88 +/- 1.20   0.001% *  0.1166% (0.09   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  20.60 +/- 1.50   0.002% *  0.0288% (0.02   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  29.49 +/- 1.02   0.000% *  0.0653% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.264, support = 0.019, residual support = 0.019:
          QB    ALA  110 - HB2   PRO   52   4.58 +/- 0.68  95.057% *  2.7932% (0.28   0.02   0.02) =  94.937%  kept
          HG    LEU   40 - HG2   MET   96   9.74 +/- 0.74   1.485% *  2.4650% (0.25   0.02   0.02) =   1.309%
          HB3   LEU  115 - HB2   PRO   52  12.19 +/- 0.72   0.299% *  8.3913% (0.84   0.02   0.02) =   0.897%
          HG    LEU   73 - HG2   MET   96  11.31 +/- 1.37   0.619% *  2.8481% (0.28   0.02   0.02) =   0.630%
          QB    ALA   61 - HB2   PRO   52  12.62 +/- 0.24   0.265% *  4.8900% (0.49   0.02   0.02) =   0.464%
          HG2   LYS+ 102 - HG2   MET   96  11.93 +/- 0.77   0.378% *  2.9446% (0.29   0.02   0.02) =   0.398%
          HG    LEU  115 - HB2   PRO   52  11.67 +/- 0.87   0.398% *  2.7932% (0.28   0.02   0.02) =   0.397%
          HB3   LEU  115 - HG2   MET   96  12.49 +/- 0.59   0.303% *  2.4650% (0.25   0.02   0.02) =   0.267%
          HG    LEU   67 - HG2   MET   96  14.26 +/- 0.70   0.148% *  2.1430% (0.21   0.02   0.02) =   0.113%
          HB3   LEU   67 - HG2   MET   96  14.09 +/- 0.59   0.156% *  1.9091% (0.19   0.02   0.02) =   0.106%
          QB    ALA  110 - HG2   MET   96  12.35 +/- 0.40   0.326% *  0.8205% (0.08   0.02   0.02) =   0.096%
          QG    LYS+  66 - HB2   PRO   52  19.15 +/- 1.00   0.021% *  8.3913% (0.84   0.02   0.02) =   0.064%
          QG    LYS+  66 - HG2   MET   96  16.38 +/- 0.79   0.064% *  2.4650% (0.25   0.02   0.02) =   0.057%
          QB    ALA   61 - HG2   MET   96  14.97 +/- 0.23   0.099% *  1.4365% (0.14   0.02   0.02) =   0.051%
          QB    ALA  120 - HB2   PRO   52  17.68 +/- 0.58   0.034% *  2.7932% (0.28   0.02   0.02) =   0.034%
          QB    ALA  120 - HG2   MET   96  14.91 +/- 0.53   0.103% *  0.8205% (0.08   0.02   0.02) =   0.030%
          HG    LEU  115 - HG2   MET   96  15.17 +/- 0.77   0.094% *  0.8205% (0.08   0.02   0.02) =   0.028%
          HG    LEU   73 - HB2   PRO   52  22.64 +/- 0.64   0.008% *  9.6953% (0.97   0.02   0.02) =   0.027%
          HG    LEU   80 - HG2   MET   96  16.58 +/- 1.38   0.064% *  0.9109% (0.09   0.02   0.02) =   0.021%
          HG    LEU   67 - HB2   PRO   52  22.99 +/- 1.30   0.007% *  7.2951% (0.73   0.02   0.02) =   0.018%
          HB3   LEU   67 - HB2   PRO   52  23.66 +/- 0.84   0.006% *  6.4990% (0.65   0.02   0.02) =   0.014%
          HG    LEU   40 - HB2   PRO   52  24.75 +/- 1.07   0.005% *  8.3913% (0.84   0.02   0.02) =   0.014%
          HG12  ILE   19 - HG2   MET   96  17.02 +/- 0.76   0.046% *  0.6570% (0.07   0.02   0.02) =   0.011%
          HG    LEU   80 - HB2   PRO   52  22.31 +/- 1.41   0.009% *  3.1007% (0.31   0.02   0.02) =   0.010%
          HG12  ILE   19 - HB2   PRO   52  24.60 +/- 0.60   0.005% *  2.2366% (0.22   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HB2   PRO   52  31.23 +/- 1.61   0.001% * 10.0239% (1.00   0.02   0.02) =   0.004%
    Distance limit 3.55 A violated in 17 structures by 1.05 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.581, support = 0.0179, residual support = 0.0179:
          HB3   PRO   93 - HD2   PRO   52   7.33 +/- 0.48  84.286% *  7.1341% (0.65   0.02   0.02) =  83.449%  kept
          QB    ALA   84 - HD2   PRO   52  11.59 +/- 0.77   5.708% *  7.5752% (0.69   0.02   0.02) =   6.000%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.89 +/- 0.71   3.011% * 10.8097% (0.98   0.02   0.02) =   4.517%
          HG2   LYS+ 111 - HD2   PRO   52  13.34 +/- 0.54   2.427% *  9.2114% (0.84   0.02   0.02) =   3.103%
          HB2   LEU   63 - HD2   PRO   52  16.81 +/- 0.36   0.604% * 11.0280% (1.00   0.02   0.02) =   0.925%
          HB3   LEU   80 - HD2   PRO   52  17.08 +/- 0.85   0.550% * 10.8097% (0.98   0.02   0.02) =   0.825%
        T QB    ALA   88 - HD2   PRO   52  12.89 +/- 0.71   2.990% *  1.9314% (0.18   0.02   0.02) =   0.801%
          HG    LEU   98 - HD2   PRO   52  22.52 +/- 1.83   0.108% *  8.8306% (0.80   0.02   0.02) =   0.133%
          QB    ALA  124 - HD2   PRO   52  23.51 +/- 0.57   0.082% *  9.8903% (0.90   0.02   0.02) =   0.112%
          HB2   LEU   31 - HD2   PRO   52  25.20 +/- 0.67   0.053% *  9.8903% (0.90   0.02   0.02) =   0.072%
        T HG3   LYS+ 106 - HD2   PRO   52  21.21 +/- 0.50   0.147% *  1.7016% (0.15   0.02   0.02) =   0.035%
          HG2   LYS+  99 - HD2   PRO   52  28.63 +/- 0.66   0.024% *  6.2436% (0.57   0.02   0.02) =   0.021%
          HG2   LYS+  38 - HD2   PRO   52  32.99 +/- 1.25   0.011% *  4.9442% (0.45   0.02   0.02) =   0.007%
    Distance limit 4.11 A violated in 20 structures by 3.14 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.87, residual support = 213.7:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.997% * 98.0392% (0.80   7.87 213.75) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52  10.22 +/- 0.41   0.003% *  0.3085% (0.99   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  15.41 +/- 1.00   0.000% *  0.3004% (0.97   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  16.67 +/- 1.12   0.000% *  0.0545% (0.18   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  20.69 +/- 0.61   0.000% *  0.2014% (0.65   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  22.00 +/- 1.26   0.000% *  0.2261% (0.73   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  18.02 +/- 0.61   0.000% *  0.0616% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  23.18 +/- 0.27   0.000% *  0.0693% (0.22   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  30.96 +/- 0.78   0.000% *  0.2945% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.66 +/- 0.63   0.000% *  0.1888% (0.61   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  26.92 +/- 0.51   0.000% *  0.0616% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  27.11 +/- 0.77   0.000% *  0.0545% (0.18   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.08 +/- 0.72   0.000% *  0.1396% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 0.867, support = 7.87, residual support = 213.7:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.607% * 98.7257% (0.87   7.87 213.75) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.72 +/- 0.69   0.392% *  0.1086% (0.38   0.02  50.59) =   0.000%
          HA    ILE   89 - HD2   PRO   52  11.86 +/- 1.03   0.001% *  0.1297% (0.45   0.02   0.02) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  20.64 +/- 1.10   0.000% *  0.2671% (0.92   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  17.09 +/- 0.43   0.000% *  0.0447% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.51 +/- 0.67   0.000% *  0.2317% (0.80   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  27.98 +/- 2.26   0.000% *  0.1872% (0.65   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  28.42 +/- 0.59   0.000% *  0.1755% (0.61   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.51 +/- 1.08   0.000% *  0.1297% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 17.0:
      O   HA1   GLY   51 - HD3   PRO   52   2.26 +/- 0.20  99.981% * 95.5623% (0.76   3.95  16.97) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  11.19 +/- 0.84   0.007% *  0.5680% (0.90   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  11.09 +/- 0.16   0.008% *  0.2840% (0.45   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  14.26 +/- 0.58   0.002% *  0.5290% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  16.36 +/- 0.68   0.001% *  0.5847% (0.92   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  16.83 +/- 1.14   0.001% *  0.5680% (0.90   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  25.49 +/- 0.63   0.000% *  0.6112% (0.97   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  20.70 +/- 1.09   0.000% *  0.1109% (0.18   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  30.77 +/- 0.55   0.000% *  0.5494% (0.87   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  38.74 +/- 2.36   0.000% *  0.5072% (0.80   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  35.64 +/- 2.31   0.000% *  0.1253% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.65, residual support = 17.0:
      O   HA1   GLY   51 - HD2   PRO   52   3.05 +/- 0.22  99.869% * 92.7879% (0.34   5.65  16.97) =  99.999%  kept
          HB    THR   77 - HD2   PRO   52   9.86 +/- 0.77   0.094% *  0.9299% (0.97   0.02   0.02) =   0.001%
          HA    ASP-  44 - HD2   PRO   52  12.57 +/- 0.57   0.022% *  0.9550% (0.99   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  16.28 +/- 0.94   0.005% *  0.9299% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  15.10 +/- 0.64   0.008% *  0.5069% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  20.11 +/- 0.87   0.001% *  0.5069% (0.53   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  23.96 +/- 0.57   0.000% *  0.8641% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  28.91 +/- 1.63   0.000% *  0.4320% (0.45   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  29.12 +/- 0.54   0.000% *  0.4320% (0.45   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  25.45 +/- 0.51   0.000% *  0.1487% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  37.31 +/- 2.31   0.000% *  0.9614% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  34.19 +/- 2.31   0.000% *  0.5455% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 213.7:
      O   HG2   PRO   52 - HD3   PRO   52   2.30 +/- 0.00  99.537% * 98.9770% (0.90   6.60 213.75) =  99.999%  kept
          HG2   MET   92 - HD3   PRO   52   8.65 +/- 2.30   0.459% *  0.1256% (0.38   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD3   PRO   52  14.26 +/- 0.73   0.002% *  0.1500% (0.45   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  14.40 +/- 0.36   0.002% *  0.1141% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  15.90 +/- 0.62   0.001% *  0.1760% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.30 +/- 0.81   0.000% *  0.3316% (0.99   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.72 +/- 0.84   0.000% *  0.1256% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 213.7:
      O   HG3   PRO   52 - HD3   PRO   52   2.91 +/- 0.00  99.707% * 98.7385% (0.97   6.60 213.75) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   7.91 +/- 0.56   0.278% *  0.0614% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  12.78 +/- 0.36   0.014% *  0.2994% (0.97   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  21.91 +/- 1.06   0.001% *  0.0773% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  31.08 +/- 1.87   0.000% *  0.2863% (0.92   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  28.80 +/- 0.53   0.000% *  0.1632% (0.53   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.19 +/- 0.57   0.000% *  0.0957% (0.31   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  38.77 +/- 2.62   0.000% *  0.2782% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.566, support = 6.7, residual support = 213.7:
      O   HB3   PRO   52 - HD3   PRO   52   4.12 +/- 0.00  95.753% * 95.8422% (0.57   6.70 213.75) =  99.983%  kept
          HG2   ARG+  54 - HD3   PRO   52   8.03 +/- 0.37   1.827% *  0.4782% (0.95   0.02   0.02) =   0.010%
          HB3   GLN   90 - HD3   PRO   52   9.35 +/- 1.64   1.542% *  0.3864% (0.76   0.02   0.02) =   0.006%
          HB    ILE   56 - HD3   PRO   52   9.20 +/- 0.38   0.809% *  0.1261% (0.25   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD3   PRO   52  15.81 +/- 1.48   0.039% *  0.3473% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  18.25 +/- 0.61   0.013% *  0.3271% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  21.33 +/- 0.65   0.005% *  0.4667% (0.92   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  25.78 +/- 0.78   0.002% *  0.4879% (0.97   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.01 +/- 0.75   0.003% *  0.2862% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  26.76 +/- 0.69   0.001% *  0.4223% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  29.29 +/- 0.36   0.001% *  0.4956% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  24.64 +/- 0.89   0.002% *  0.1560% (0.31   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  25.10 +/- 0.77   0.002% *  0.1001% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  33.61 +/- 1.17   0.000% *  0.0780% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.09, residual support = 50.6:
          HN    CYS   53 - HD3   PRO   52   3.71 +/- 0.01  99.985% * 99.3010% (0.61   6.09  50.59) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  16.44 +/- 0.81   0.014% *  0.2018% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  24.98 +/- 0.75   0.001% *  0.3478% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  28.92 +/- 0.70   0.000% *  0.1495% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 3.95, residual support = 17.0:
          HN    GLY   51 - HD3   PRO   52   2.74 +/- 0.45  99.998% * 99.5263% (0.92   3.95  16.97) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  17.35 +/- 0.60   0.002% *  0.4737% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.635, support = 0.02, residual support = 0.321:
          HN    ARG+  54 - HD2   PRO   52   4.90 +/- 0.06  78.254% * 16.5352% (0.61   0.02   0.02) =  75.051%  kept
          HN    PHE   55 - HD2   PRO   52   6.09 +/- 0.12  21.618% * 19.7962% (0.73   0.02   1.23) =  24.822%  kept
          HN    ASP-  62 - HD2   PRO   52  15.94 +/- 0.17   0.066% * 25.1660% (0.92   0.02   0.02) =   0.097%
          HN    ALA   88 - HD2   PRO   52  16.57 +/- 0.87   0.056% *  6.7978% (0.25   0.02   0.02) =   0.022%
          HN    LEU   31 - HD2   PRO   52  24.85 +/- 0.65   0.005% * 26.3097% (0.97   0.02   0.02) =   0.007%
          HN    LYS+  38 - HD2   PRO   52  30.84 +/- 0.69   0.001% *  5.3951% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 20 structures by 0.62 A, eliminated.
    Peak unassigned.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 7.19, residual support = 50.6:
          HN    CYS   53 - HD2   PRO   52   2.44 +/- 0.02  99.998% * 99.4076% (0.61   7.19  50.59) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  15.14 +/- 0.72   0.002% *  0.1710% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  23.40 +/- 0.73   0.000% *  0.2947% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  27.18 +/- 0.70   0.000% *  0.1267% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 0.923, support = 1.5, residual support = 5.94:
          QB    CYS   50 - HB3   CYS   53   2.44 +/- 0.61  99.546% * 96.8478% (0.92   1.50   5.94) =  99.994%  kept
          QE    LYS+  74 - HB3   CYS   53   7.72 +/- 0.86   0.418% *  1.3233% (0.95   0.02   0.02) =   0.006%
          HB3   ASP-  78 - HB3   CYS   53  10.23 +/- 1.01   0.026% *  0.7920% (0.57   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB3   CYS   53  13.95 +/- 0.96   0.009% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  25.08 +/- 0.79   0.000% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 5.94:
        T QB    CYS   50 - HB2   CYS   53   2.32 +/- 0.55  99.666% * 96.3763% (0.92   1.50   5.94) =  99.996%  kept
          QE    LYS+  74 - HB2   CYS   53   7.79 +/- 0.71   0.297% *  1.2484% (0.90   0.02   0.02) =   0.004%
          HB3   ASP-  78 - HB2   CYS   53  10.43 +/- 0.76   0.031% *  0.2438% (0.18   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  14.08 +/- 1.37   0.006% *  0.7881% (0.57   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  25.18 +/- 1.04   0.000% *  1.3434% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   1.88 +/- 0.10  99.922% * 14.3765% (0.95   0.02   0.02) =  99.929%  kept
          QB    ALA   91 - HA    CYS   53   7.12 +/- 1.72   0.073% * 13.6298% (0.90   0.02   0.02) =   0.069%
          HG2   LYS+  74 - HA    CYS   53  10.54 +/- 0.79   0.004% *  5.1841% (0.34   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    CYS   53  18.51 +/- 0.45   0.000% * 12.1694% (0.80   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    CYS   53  19.45 +/- 0.75   0.000% * 13.6298% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    CYS   53  17.47 +/- 0.69   0.000% *  6.8136% (0.45   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HA    CYS   53  19.22 +/- 0.62   0.000% *  8.6043% (0.57   0.02   0.02) =   0.000%
        T HG    LEU   71 - HA    CYS   53  21.30 +/- 1.03   0.000% *  4.6908% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  29.29 +/- 1.64   0.000% * 15.1978% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    CYS   53  24.83 +/- 0.68   0.000% *  5.7039% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.79, residual support = 43.3:
      O   HN    CYS   53 - HA    CYS   53   2.72 +/- 0.01  99.996% * 99.1127% (0.61   4.79  43.29) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  15.54 +/- 0.43   0.003% *  0.2561% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  21.88 +/- 0.67   0.000% *  0.4414% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  23.80 +/- 0.58   0.000% *  0.1897% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 4.92, residual support = 43.3:
      O   HN    CYS   53 - HB2   CYS   53   2.75 +/- 0.55  99.989% * 99.1357% (0.61   4.92  43.29) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  14.24 +/- 0.48   0.009% *  0.2495% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  20.59 +/- 0.71   0.001% *  0.4300% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  23.67 +/- 0.83   0.000% *  0.1848% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.965, support = 5.19, residual support = 30.4:
          HN    ARG+  54 - HB2   CYS   53   3.34 +/- 0.29  92.218% * 98.9271% (0.97   5.19  30.38) =  99.989%  kept
          HN    PHE   55 - HB2   CYS   53   5.10 +/- 0.14   7.731% *  0.1219% (0.31   0.02   0.02) =   0.010%
          HN    ASP-  62 - HB2   CYS   53  12.16 +/- 0.74   0.049% *  0.3735% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  21.60 +/- 0.70   0.002% *  0.3541% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  27.45 +/- 0.92   0.000% *  0.2235% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 5.24, residual support = 30.4:
          HN    ARG+  54 - HB3   CYS   53   3.72 +/- 0.34  99.899% * 99.1537% (0.87   5.24  30.38) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  12.22 +/- 0.84   0.097% *  0.2296% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  21.33 +/- 0.56   0.003% *  0.1956% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  27.18 +/- 0.70   0.001% *  0.4211% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.58, residual support = 157.2:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.70 +/- 0.23  92.030% * 99.3412% (0.87   4.58 157.17) =  99.991%  kept
          QB    ALA   57 - HD2   ARG+  54   4.75 +/- 0.78   7.969% *  0.0990% (0.20   0.02   0.02) =   0.009%
          HD3   LYS+ 111 - HD2   ARG+  54  19.69 +/- 0.59   0.001% *  0.1113% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  22.74 +/- 1.15   0.000% *  0.2242% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.57 +/- 1.39   0.000% *  0.2242% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 3.53, residual support = 157.2:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.946% * 98.2622% (0.87   3.53 157.17) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.91 +/- 0.65   0.034% *  0.3122% (0.49   0.02   2.63) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   7.60 +/- 0.70   0.018% *  0.5136% (0.80   0.02  30.38) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  12.83 +/- 0.87   0.001% *  0.3890% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  11.70 +/- 1.32   0.001% *  0.1599% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  22.57 +/- 1.63   0.000% *  0.3631% (0.57   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 = 3.53, residual support = 157.2:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.5102% (1.00   3.53 157.17) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  21.87 +/- 0.88   0.000% *  0.4898% (0.87   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 = 157.1:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.81 +/- 0.27  83.251% * 99.1952% (0.87   3.74 157.17) =  99.975%  kept
          QB    ALA   57 - HD3   ARG+  54   4.47 +/- 1.15  16.747% *  0.1209% (0.20   0.02   0.02) =   0.025%
          HD3   LYS+ 111 - HD3   ARG+  54  19.94 +/- 1.00   0.001% *  0.1360% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  22.94 +/- 1.64   0.000% *  0.2739% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  25.93 +/- 1.43   0.000% *  0.2739% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 157.2:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.51 +/- 0.23  99.888% * 92.1329% (0.49   3.89 157.17) =  99.999%  kept
          HB    ILE   56 - HD3   ARG+  54  10.18 +/- 0.85   0.033% *  0.9638% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54   9.48 +/- 1.58   0.074% *  0.3997% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  17.42 +/- 1.88   0.002% *  0.7061% (0.73   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  16.75 +/- 0.81   0.001% *  0.5898% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  19.90 +/- 1.58   0.001% *  0.7786% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  21.03 +/- 0.93   0.000% *  0.8122% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  22.01 +/- 1.23   0.000% *  0.5116% (0.53   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  24.13 +/- 1.22   0.000% *  0.7431% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  25.21 +/- 1.30   0.000% *  0.6290% (0.65   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  24.09 +/- 1.75   0.000% *  0.3997% (0.41   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.09 +/- 1.03   0.000% *  0.4359% (0.45   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  32.63 +/- 1.58   0.000% *  0.8976% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 4.09, residual support = 157.2:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.12 +/- 0.47  99.930% * 95.6208% (0.73   4.09 157.17) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  11.44 +/- 0.73   0.053% *  0.2649% (0.41   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  17.34 +/- 1.22   0.004% *  0.6218% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  17.45 +/- 1.63   0.004% *  0.1791% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  17.87 +/- 0.99   0.003% *  0.2198% (0.34   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  20.96 +/- 0.77   0.001% *  0.5159% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  22.33 +/- 1.85   0.001% *  0.4168% (0.65   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  24.71 +/- 1.62   0.001% *  0.6218% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  24.58 +/- 1.31   0.001% *  0.6218% (0.97   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  22.12 +/- 1.56   0.001% *  0.1791% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  33.59 +/- 1.31   0.000% *  0.6386% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  27.95 +/- 0.98   0.000% *  0.0994% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 157.2:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.982% * 96.3458% (0.92   4.97 157.17) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   9.56 +/- 0.64   0.004% *  0.2714% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.45 +/- 0.78   0.013% *  0.0830% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  16.25 +/- 1.91   0.000% *  0.4196% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.05 +/- 1.41   0.000% *  0.4159% (0.99   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  15.74 +/- 0.84   0.000% *  0.0830% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  20.47 +/- 0.61   0.000% *  0.4113% (0.98   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  21.64 +/- 0.82   0.000% *  0.3969% (0.95   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  24.37 +/- 0.98   0.000% *  0.3640% (0.87   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  24.95 +/- 0.94   0.000% *  0.4159% (0.99   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  20.74 +/- 0.91   0.000% *  0.0830% (0.20   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  27.54 +/- 0.80   0.000% *  0.3763% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  23.71 +/- 0.86   0.000% *  0.1295% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  32.37 +/- 1.29   0.000% *  0.2042% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 5.18, residual support = 157.2:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.64 +/- 0.10  99.992% * 91.8084% (0.31   5.18 157.17) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  17.27 +/- 0.86   0.001% *  0.8781% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  17.56 +/- 1.19   0.001% *  0.7893% (0.69   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  17.34 +/- 0.93   0.001% *  0.6969% (0.61   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  16.99 +/- 1.01   0.002% *  0.2274% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  22.61 +/- 1.09   0.000% *  1.1262% (0.98   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  22.20 +/- 1.18   0.000% *  0.7893% (0.69   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  20.19 +/- 0.89   0.001% *  0.4312% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  24.33 +/- 1.21   0.000% *  1.0305% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  24.23 +/- 0.89   0.000% *  0.6969% (0.61   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  19.56 +/- 0.93   0.001% *  0.1773% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  27.27 +/- 0.82   0.000% *  0.5593% (0.49   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  33.27 +/- 0.99   0.000% *  0.7893% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 5.0, residual support = 157.2:
      O   HA    ARG+  54 - HG3   ARG+  54   3.00 +/- 0.66  99.989% * 98.3071% (1.00   5.00 157.17) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  16.57 +/- 0.82   0.006% *  0.2383% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  20.45 +/- 1.04   0.002% *  0.2542% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  19.80 +/- 0.80   0.002% *  0.0688% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  27.02 +/- 0.77   0.000% *  0.3852% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  26.14 +/- 0.79   0.000% *  0.2542% (0.65   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  27.83 +/- 0.87   0.000% *  0.1762% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.93 +/- 1.10   0.000% *  0.1093% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  34.10 +/- 0.87   0.000% *  0.2067% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 157.2:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.81 +/- 0.27  99.999% * 99.7134% (0.76   3.74 157.17) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  20.34 +/- 0.85   0.001% *  0.2866% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.867, support = 4.58, residual support = 157.2:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.70 +/- 0.23  97.358% * 98.6543% (0.87   4.58 157.17) =  99.992%  kept
          QB    PHE   55 - HG3   ARG+  54   6.33 +/- 0.67   1.985% *  0.2418% (0.49   0.02   2.63) =   0.005%
          HB3   CYS   53 - HG3   ARG+  54   6.56 +/- 0.57   0.619% *  0.3977% (0.80   0.02  30.38) =   0.003%
          HD3   PRO   93 - HG3   ARG+  54  11.75 +/- 0.95   0.019% *  0.3012% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.54 +/- 0.70   0.019% *  0.1238% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  22.81 +/- 1.21   0.000% *  0.2812% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 6.38, residual support = 157.2:
          HN    ARG+  54 - HG3   ARG+  54   3.77 +/- 0.31  99.896% * 99.3035% (0.87   6.38 157.17) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  12.36 +/- 0.87   0.102% *  0.1889% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  25.82 +/- 0.83   0.001% *  0.1610% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  31.16 +/- 0.84   0.000% *  0.3466% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 157.2:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  98.992% * 99.1270% (0.87   4.97 157.17) =  99.999%  kept
          QB    ALA   57 - HG2   ARG+  54   3.88 +/- 0.39   1.007% *  0.0909% (0.20   0.02   0.02) =   0.001%
        T HB3   LEU  123 - HG3   PRO   68  13.64 +/- 0.93   0.000% *  0.0550% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  14.11 +/- 1.02   0.000% *  0.0550% (0.12   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  18.92 +/- 0.82   0.000% *  0.1023% (0.22   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  23.14 +/- 0.77   0.000% *  0.2060% (0.45   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.35 +/- 0.30   0.000% *  0.0243% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  25.10 +/- 1.15   0.000% *  0.2060% (0.45   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  24.37 +/- 0.98   0.000% *  0.1063% (0.23   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  27.71 +/- 0.63   0.000% *  0.0273% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 0.142, support = 2.89, residual support = 36.3:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  93.415% * 18.0292% (0.12   2.34  36.26) =  78.508%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.83 +/- 0.26   6.559% * 70.2914% (0.22   4.90  36.26) =  21.491%  kept
          QB    GLU-  15 - HG3   PRO   68   7.30 +/- 0.89   0.024% *  0.3430% (0.27   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  11.24 +/- 0.56   0.001% *  0.3430% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  16.91 +/- 0.80   0.000% *  1.2855% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  17.12 +/- 1.10   0.000% *  1.2855% (1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  16.66 +/- 0.80   0.000% *  0.7814% (0.61   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  13.90 +/- 0.42   0.000% *  0.1809% (0.14   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  18.84 +/- 0.83   0.000% *  0.6778% (0.53   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  21.77 +/- 0.99   0.000% *  1.2855% (1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  17.16 +/- 0.70   0.000% *  0.2550% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  22.30 +/- 0.87   0.000% *  1.0761% (0.84   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  17.62 +/- 1.04   0.000% *  0.1541% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  22.87 +/- 0.77   0.000% *  0.5776% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  16.07 +/- 0.45   0.000% *  0.0680% (0.05   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  26.35 +/- 0.79   0.000% *  1.1893% (0.92   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  23.56 +/- 1.11   0.000% *  0.5776% (0.45   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  16.82 +/- 0.48   0.000% *  0.0680% (0.05   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  21.12 +/- 0.90   0.000% *  0.2085% (0.16   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  19.01 +/- 0.55   0.000% *  0.0857% (0.07   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  23.45 +/- 0.69   0.000% *  0.2550% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  24.97 +/- 0.72   0.000% *  0.3430% (0.27   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.72 +/- 0.56   0.000% *  0.3174% (0.25   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  32.54 +/- 0.52   0.000% *  0.3213% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 0.657, support = 4.61, residual support = 121.6:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.94 +/- 0.12  29.870% * 83.3261% (0.87   4.55 157.17) =  70.604%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.54 +/- 0.30  68.184% * 15.1912% (0.15   4.76  36.26) =  29.382%  kept
          QB    PHE   55 - HG2   ARG+  54   6.25 +/- 0.70   1.232% *  0.2054% (0.49   0.02   2.63) =   0.007%
          HB3   CYS   53 - HG2   ARG+  54   5.65 +/- 0.57   0.690% *  0.3380% (0.80   0.02  30.38) =   0.007%
          HD3   PRO   93 - HG2   ARG+  54  11.01 +/- 0.79   0.014% *  0.2560% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.25 +/- 0.49   0.010% *  0.1052% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.48 +/- 0.66   0.000% *  0.2390% (0.57   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  17.60 +/- 0.26   0.001% *  0.0281% (0.07   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.65 +/- 0.28   0.000% *  0.0548% (0.13   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.71 +/- 0.87   0.000% *  0.0902% (0.21   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  24.40 +/- 1.23   0.000% *  0.0977% (0.23   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  26.59 +/- 0.50   0.000% *  0.0683% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 157.2:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.51 +/- 0.23 100.000% * 99.8631% (0.31   3.89 157.17) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  24.09 +/- 1.75   0.000% *  0.1369% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 4.97, residual support = 157.2:
      O T HA    ARG+  54 - HG2   ARG+  54   2.52 +/- 0.38  99.984% * 97.7494% (1.00   4.97 157.17) = 100.000%  kept
        T HA    LEU  115 - HG2   ARG+  54  16.20 +/- 0.59   0.003% *  0.2384% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   PRO   68  15.36 +/- 0.92   0.003% *  0.1028% (0.26   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  14.19 +/- 0.44   0.005% *  0.0470% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  19.57 +/- 0.95   0.001% *  0.2543% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  19.50 +/- 0.73   0.001% *  0.0689% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.69 +/- 0.84   0.001% *  0.0552% (0.14   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  19.27 +/- 0.57   0.001% *  0.0636% (0.16   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  26.87 +/- 0.78   0.000% *  0.3854% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  25.23 +/- 0.66   0.000% *  0.2543% (0.65   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  22.29 +/- 0.32   0.000% *  0.1049% (0.27   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  21.96 +/- 0.45   0.000% *  0.0679% (0.17   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  27.10 +/- 0.57   0.000% *  0.1763% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  20.90 +/- 0.58   0.000% *  0.0292% (0.07   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  33.32 +/- 0.54   0.000% *  0.2068% (0.53   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.13 +/- 1.45   0.000% *  0.1093% (0.28   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  23.33 +/- 0.65   0.000% *  0.0184% (0.05   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  33.30 +/- 0.65   0.000% *  0.0679% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 6.25, residual support = 157.2:
          HN    ARG+  54 - HG2   ARG+  54   3.19 +/- 0.14  99.929% * 99.0173% (0.87   6.25 157.17) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.12 +/- 0.51   0.037% *  0.1923% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.81 +/- 0.26   0.024% *  0.0513% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  16.18 +/- 0.87   0.007% *  0.0941% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.37 +/- 0.47   0.002% *  0.0437% (0.12   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  24.96 +/- 0.68   0.000% *  0.1639% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  30.42 +/- 0.51   0.000% *  0.3528% (0.97   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  24.51 +/- 0.31   0.001% *  0.0846% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   4.54 +/- 0.15  99.681% * 19.4000% (0.97   0.02   0.02) =  99.794%  kept
          HD2   LYS+  74 - HB3   ARG+  54  12.88 +/- 0.40   0.198% * 14.5972% (0.73   0.02   0.02) =   0.149%
          HD3   LYS+ 111 - HB3   ARG+  54  17.39 +/- 0.43   0.033% * 19.7041% (0.98   0.02   0.02) =   0.033%
          QD    LYS+  65 - HB3   ARG+  54  15.35 +/- 0.67   0.069% *  3.5205% (0.18   0.02   0.02) =   0.013%
          HB3   LEU  123 - HB3   ARG+  54  22.92 +/- 0.52   0.006% * 19.4000% (0.97   0.02   0.02) =   0.006%
          QD    LYS+  33 - HB3   ARG+  54  26.38 +/- 1.19   0.003% * 19.4000% (0.97   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HB3   ARG+  54  21.38 +/- 0.31   0.009% *  3.9782% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 20 structures by 1.11 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.38, residual support = 157.2:
      O   HN    ARG+  54 - HB3   ARG+  54   2.15 +/- 0.31  99.995% * 98.9892% (0.87   4.38 157.17) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.67 +/- 0.19   0.005% *  0.2742% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  26.16 +/- 0.40   0.000% *  0.2337% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  31.33 +/- 0.55   0.000% *  0.5030% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.34, residual support = 157.2:
      O   HN    ARG+  54 - HB2   ARG+  54   3.32 +/- 0.24  99.907% * 99.0553% (0.87   6.34 157.17) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  11.81 +/- 0.32   0.054% *  0.1894% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  16.12 +/- 1.84   0.010% *  0.0511% (0.14   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  15.09 +/- 1.95   0.020% *  0.0237% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  18.90 +/- 1.25   0.004% *  0.0279% (0.08   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  26.51 +/- 0.46   0.000% *  0.1614% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  22.57 +/- 3.46   0.002% *  0.0336% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  31.30 +/- 0.56   0.000% *  0.3475% (0.97   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  23.18 +/- 3.58   0.002% *  0.0156% (0.04   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  26.72 +/- 1.67   0.000% *  0.0459% (0.13   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  25.84 +/- 2.45   0.001% *  0.0183% (0.05   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  34.12 +/- 2.69   0.000% *  0.0302% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.246, support = 1.5, residual support = 26.4:
          QE    PHE   59 - HA    LEU  115   2.15 +/- 0.28  99.754% * 83.3682% (0.25   1.50  26.35) =  99.995%  kept
          HN    PHE   59 - HA    ARG+  54   7.06 +/- 0.21   0.102% *  1.8547% (0.41   0.02   0.02) =   0.002%
          QD    PHE   60 - HA    ARG+  54   8.41 +/- 0.39   0.042% *  2.5542% (0.57   0.02   0.02) =   0.001%
          QD    PHE   60 - HA    LEU  115   7.65 +/- 0.48   0.054% *  0.7859% (0.17   0.02   0.02) =   0.001%
          QE    PHE   59 - HA    ARG+  54  11.27 +/- 0.41   0.007% *  3.6125% (0.80   0.02   0.02) =   0.000%
          HN    PHE   59 - HA    LEU  115   8.24 +/- 0.27   0.036% *  0.5707% (0.13   0.02  26.35) =   0.000%
          HN    LYS+  66 - HA    ARG+  54  15.30 +/- 0.20   0.001% *  4.4221% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LEU  115  12.99 +/- 0.50   0.003% *  1.3607% (0.30   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    ARG+  54  20.39 +/- 1.17   0.000% *  1.1249% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  25.92 +/- 1.11   0.000% *  0.3461% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 6.38, residual support = 157.1:
      O   HN    ARG+  54 - HA    ARG+  54   2.73 +/- 0.02  81.969% * 98.7644% (0.97   6.38 157.17) =  99.978%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.52 +/- 0.01  17.956% *  0.0990% (0.31   0.02   2.63) =   0.022%
          HN    ASP-  62 - HA    ARG+  54  10.05 +/- 0.19   0.033% *  0.3035% (0.95   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.44 +/- 0.34   0.027% *  0.0934% (0.29   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  14.25 +/- 0.35   0.004% *  0.0953% (0.30   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  12.16 +/- 0.37   0.011% *  0.0305% (0.09   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  23.76 +/- 0.43   0.000% *  0.2878% (0.90   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.60 +/- 0.54   0.000% *  0.0885% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  23.26 +/- 0.55   0.000% *  0.0559% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  28.68 +/- 0.50   0.000% *  0.1817% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.38, residual support = 16.1:
          HN    ILE   56 - QB    PHE   55   2.85 +/- 0.16  99.435% * 97.4988% (0.57   4.38  16.07) =  99.999%  kept
          HN    LYS+ 111 - QB    PHE   55   7.23 +/- 0.35   0.408% *  0.1750% (0.22   0.02   0.02) =   0.001%
          QE    PHE   60 - QB    PHE   55   8.80 +/- 0.61   0.129% *  0.1960% (0.25   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    PHE   55  11.40 +/- 0.16   0.025% *  0.5400% (0.69   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  23.06 +/- 0.37   0.000% *  0.7586% (0.97   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  23.61 +/- 1.11   0.000% *  0.6566% (0.84   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  19.86 +/- 0.66   0.001% *  0.1750% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.13, residual support = 20.4:
      O   HN    PHE   55 - QB    PHE   55   1.96 +/- 0.04  98.996% * 97.4743% (0.73   3.13  20.36) =  99.995%  kept
          HN    ARG+  54 - QB    PHE   55   4.22 +/- 0.04   0.999% *  0.5207% (0.61   0.02   2.63) =   0.005%
          HN    ASP-  62 - QB    PHE   55  10.34 +/- 0.13   0.005% *  0.7925% (0.92   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  23.28 +/- 0.34   0.000% *  0.8285% (0.97   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  20.17 +/- 0.77   0.000% *  0.2141% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  26.80 +/- 0.41   0.000% *  0.1699% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.883, support = 0.0197, residual support = 0.0197:
          QD    PHE   60 - QB    PHE   55   7.94 +/- 0.39  96.746% * 36.5548% (0.90   0.02   0.02) =  98.439%  kept
          HN    LYS+  66 - QB    PHE   55  15.05 +/- 0.14   2.144% * 16.7569% (0.41   0.02   0.02) =   1.000%
          HN    LYS+  81 - QB    PHE   55  20.13 +/- 1.01   0.386% * 40.3993% (0.99   0.02   0.02) =   0.434%
          HE3   TRP   27 - QB    PHE   55  18.02 +/- 0.34   0.723% *  6.2891% (0.15   0.02   0.02) =   0.127%
    Distance limit 3.62 A violated in 20 structures by 4.32 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.92, residual support = 110.6:
      O   HN    ILE   56 - HB    ILE   56   2.95 +/- 0.13  98.298% * 96.2803% (0.25   5.92 110.61) =  99.987%  kept
          QE    PHE   60 - HB    ILE   56   6.02 +/- 0.62   1.640% *  0.7381% (0.57   0.02   4.60) =   0.013%
          HN    LEU   63 - HB    ILE   56  10.12 +/- 0.19   0.062% *  0.4447% (0.34   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  22.37 +/- 0.36   0.001% *  1.2332% (0.95   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB    ILE   56  24.10 +/- 1.10   0.000% *  1.3037% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.715, support = 1.31, residual support = 5.47:
          QE    PHE   95 - HB    ILE   56   3.81 +/- 0.29  81.966% * 34.2217% (0.84   0.75   1.29) =  71.685%  kept
          QD    PHE   55 - HB    ILE   56   4.98 +/- 0.24  17.976% * 61.6342% (0.41   2.74  16.07) =  28.314%  kept
          HN    LEU   67 - HB    ILE   56  15.70 +/- 0.25   0.017% *  1.0829% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    ILE   56  15.37 +/- 1.53   0.022% *  0.8350% (0.76   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  16.83 +/- 0.34   0.011% *  0.3727% (0.34   0.02   0.02) =   0.000%
          HN    THR   23 - HB    ILE   56  20.58 +/- 0.62   0.004% *  0.9477% (0.87   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB    ILE   56  21.17 +/- 0.70   0.003% *  0.6627% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  25.82 +/- 1.27   0.001% *  0.2432% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.83, residual support = 110.6:
      O T QD1   ILE   56 - HB    ILE   56   2.21 +/- 0.06  99.996% * 98.6917% (0.87   3.83 110.61) = 100.000%  kept
          HG3   LYS+ 121 - HB    ILE   56  15.98 +/- 0.56   0.001% *  0.5331% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  14.97 +/- 0.31   0.001% *  0.3605% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU  123 - HB    ILE   56  13.62 +/- 0.36   0.002% *  0.1482% (0.25   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  20.93 +/- 0.56   0.000% *  0.2665% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 3.3, residual support = 110.6:
      O T QD1   ILE   56 - QG1   ILE   56   1.92 +/- 0.00  99.994% * 98.4865% (0.87   3.30 110.61) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.44 +/- 0.25   0.002% *  0.4171% (0.61   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  13.05 +/- 0.61   0.001% *  0.6167% (0.90   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  11.50 +/- 0.33   0.002% *  0.1715% (0.25   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  16.48 +/- 0.51   0.000% *  0.3083% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 56.43 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 3.95, residual support = 110.6:
        T QG2   ILE   56 - QD1   ILE   56   3.21 +/- 0.03  99.466% * 97.8709% (0.72   3.95 110.61) =  99.999%  kept
          QB    ALA   91 - QD1   ILE   56   9.09 +/- 0.45   0.200% *  0.2001% (0.29   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   8.51 +/- 0.35   0.295% *  0.1283% (0.19   0.02   0.02) =   0.000%
        T QB    ALA   34 - QD1   ILE   56  13.71 +/- 0.21   0.016% *  0.5984% (0.87   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  13.77 +/- 0.49   0.016% *  0.2001% (0.29   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  16.72 +/- 0.56   0.005% *  0.6354% (0.93   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  21.49 +/- 1.14   0.001% *  0.3670% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2687 (1.43, 0.79, 56.43 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 2.28, residual support = 5.86:
          QB    ALA  110 - QD1   ILE   56   3.54 +/- 0.14  13.864% * 93.3303% (0.85   2.31   5.94) =  98.663%  kept
          HB3   LEU  115 - QD1   ILE   56   2.54 +/- 0.26  85.733% *  0.2008% (0.21   0.02   0.02) =   1.313%
          QB    ALA   61 - QD1   ILE   56   6.62 +/- 0.14   0.304% *  0.8999% (0.94   0.02   0.02) =   0.021%
          QG    LYS+  66 - QD1   ILE   56   9.54 +/- 0.59   0.037% *  0.7824% (0.82   0.02   0.02) =   0.002%
          HB3   LEU   67 - QD1   ILE   56  12.05 +/- 0.53   0.009% *  0.8841% (0.93   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - QD1   ILE   56  10.66 +/- 0.87   0.019% *  0.2508% (0.26   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   ILE   56  13.91 +/- 0.38   0.003% *  0.6195% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   ILE   56  11.84 +/- 0.33   0.010% *  0.2249% (0.24   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   ILE   56  11.28 +/- 0.77   0.013% *  0.1392% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   ILE   56  15.62 +/- 0.32   0.002% *  0.7534% (0.79   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  12.87 +/- 0.53   0.006% *  0.2008% (0.21   0.02   0.02) =   0.000%
          HG    LEU   80 - QD1   ILE   56  18.06 +/- 1.17   0.001% *  0.8326% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   56  17.73 +/- 0.72   0.001% *  0.3708% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  19.02 +/- 0.99   0.001% *  0.5106% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 6 structures by 0.06 A, kept.
 
    Peak 2688 (1.71, 0.79, 56.43 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.3, residual support = 110.6:
      O T QG1   ILE   56 - QD1   ILE   56   1.92 +/- 0.00  99.950% * 97.3527% (0.85   3.30 110.61) = 100.000%  kept
          HD2   LYS+ 111 - QD1   ILE   56   7.57 +/- 0.32   0.028% *  0.2029% (0.29   0.02   1.21) =   0.000%
          HB3   MET   92 - QD1   ILE   56   8.92 +/- 1.15   0.015% *  0.2703% (0.39   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  10.46 +/- 0.66   0.004% *  0.5024% (0.72   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  12.33 +/- 0.36   0.001% *  0.3722% (0.54   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  14.22 +/- 0.44   0.001% *  0.5264% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  14.85 +/- 0.43   0.000% *  0.5264% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  15.17 +/- 0.67   0.000% *  0.2467% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 56.43 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 3.83, residual support = 110.6:
      O T HB    ILE   56 - QD1   ILE   56   2.21 +/- 0.06  99.750% * 96.6338% (0.72   3.83 110.61) =  99.999%  kept
          HB3   PRO   58 - QD1   ILE   56   6.18 +/- 0.15   0.213% *  0.5925% (0.85   0.02   0.18) =   0.001%
          HB2   MET   92 - QD1   ILE   56   9.87 +/- 0.82   0.015% *  0.6548% (0.94   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.25 +/- 0.24   0.019% *  0.2253% (0.32   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  16.65 +/- 0.36   0.001% *  0.6548% (0.94   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  14.50 +/- 0.69   0.001% *  0.1647% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  20.13 +/- 0.82   0.000% *  0.5925% (0.85   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  17.52 +/- 0.96   0.000% *  0.2039% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  17.49 +/- 0.46   0.000% *  0.1307% (0.19   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  27.17 +/- 1.72   0.000% *  0.1471% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2690 (3.46, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.782, support = 0.0198, residual support = 0.625:
        T HA    LYS+ 112 - QD1   ILE   56   3.80 +/- 0.27  97.294% * 42.0133% (0.79   0.02   0.63) =  98.915%  kept
          HB    THR   46 - QD1   ILE   56   7.22 +/- 0.47   2.476% * 15.5247% (0.29   0.02   0.02) =   0.930%
          HB2   HIS  122 - QD1   ILE   56  10.68 +/- 0.35   0.221% * 28.4770% (0.54   0.02   0.02) =   0.152%
          HB2   HIS   22 - QD1   ILE   56  18.04 +/- 0.56   0.009% * 13.9850% (0.26   0.02   0.02) =   0.003%
    Distance limit 3.58 A violated in 16 structures by 0.26 A, eliminated.
    Peak unassigned.
 
    Peak 2691 (4.46, 0.79, 56.43 ppm):
    6 chemical-shift based assignments, quality = 0.937, support = 2.64, residual support = 5.94:
          HA    ALA  110 - QD1   ILE   56   3.18 +/- 0.08  96.717% * 98.0573% (0.94   2.64   5.94) =  99.983%  kept
          HA    PHE   55 - QD1   ILE   56   5.93 +/- 0.12   2.350% *  0.5997% (0.76   0.02  16.07) =   0.015%
          HA    VAL  107 - QD1   ILE   56   7.18 +/- 0.29   0.755% *  0.2811% (0.36   0.02   0.02) =   0.002%
          HA    VAL   42 - QD1   ILE   56   9.84 +/- 0.34   0.115% *  0.1667% (0.21   0.02   0.02) =   0.000%
          HA    ALA   91 - QD1   ILE   56  11.26 +/- 0.45   0.051% *  0.1867% (0.24   0.02   0.02) =   0.000%
          HA    GLN   90 - QD1   ILE   56  14.41 +/- 0.52   0.012% *  0.7085% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2692 (6.90, 0.79, 56.43 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56   9.88 +/- 0.16 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.76 A violated in 20 structures by 6.12 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 56.43 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 1.89, residual support = 21.9:
          HN    PHE   59 - QD1   ILE   56   3.55 +/- 0.17  99.755% * 94.2307% (0.29   1.90  21.93) =  99.993%  kept
          HN    HIS  122 - QD1   ILE   56   9.75 +/- 0.25   0.242% *  2.7949% (0.82   0.02   0.02) =   0.007%
          HH2   TRP   87 - QD1   ILE   56  20.09 +/- 0.93   0.003% *  2.9743% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 1 structures by 0.01 A, kept.
 
    Peak 2694 (7.39, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.405, support = 0.0191, residual support = 24.0:
          HN    ALA   57 - QD1   ILE   56   4.82 +/- 0.10  94.824% * 20.7175% (0.42   0.02  25.08) =  95.521%  kept
          HE21  GLN  116 - QD1   ILE   56   7.89 +/- 0.28   5.071% * 17.3432% (0.36   0.02   0.02) =   4.276%
          HE21  GLN   90 - QD1   ILE   56  16.08 +/- 1.40   0.086% * 44.5961% (0.91   0.02   0.02) =   0.186%
          HD21  ASN   35 - QD1   ILE   56  20.16 +/- 0.99   0.019% * 17.3432% (0.36   0.02   0.02) =   0.016%
    Distance limit 4.29 A violated in 20 structures by 0.53 A, eliminated.
    Peak unassigned.
 
    Peak 2695 (7.61, 0.79, 56.43 ppm):
    5 chemical-shift based assignments, quality = 0.384, support = 2.8, residual support = 58.1:
          HN    ILE   56 - QD1   ILE   56   4.30 +/- 0.08  32.604% * 65.3865% (0.24   4.58 110.61) =  50.507%  kept
          QE    PHE   60 - QD1   ILE   56   3.83 +/- 0.14  65.268% * 31.9949% (0.54   0.99   4.60) =  49.473%  kept
          HN    LEU   63 - QD1   ILE   56   6.80 +/- 0.19   2.118% *  0.3906% (0.32   0.02   0.02) =   0.020%
          HD21  ASN   28 - QD1   ILE   56  18.07 +/- 0.25   0.006% *  1.0831% (0.89   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   ILE   56  20.41 +/- 1.00   0.003% *  1.1450% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2696 (8.51, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.494, support = 0.0199, residual support = 0.627:
          HN    LYS+ 112 - QD1   ILE   56   4.89 +/- 0.28  98.713% * 30.2931% (0.50   0.02   0.63) =  99.252%  kept
          HN    VAL   75 - QD1   ILE   56  10.61 +/- 0.36   1.037% * 12.8189% (0.21   0.02   0.02) =   0.441%
          HN    ASP-  78 - QD1   ILE   56  13.42 +/- 0.29   0.246% * 37.2476% (0.61   0.02   0.02) =   0.305%
          HN    MET   11 - QD1   ILE   56  28.08 +/- 1.86   0.003% * 19.6404% (0.32   0.02   0.02) =   0.002%
    Distance limit 4.14 A violated in 19 structures by 0.76 A, eliminated.
    Peak unassigned.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 21.9:
        T HB3   PHE   59 - QG1   ILE   56   2.53 +/- 0.32  99.102% * 99.0044% (0.38   3.00  21.93) =  99.991%  kept
          HB2   PHE   95 - QG1   ILE   56   5.72 +/- 0.28   0.898% *  0.9956% (0.57   0.02   1.29) =   0.009%
    Distance limit 4.08 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 = 0.408, support = 2.87, residual support = 20.4:
        T HB2   PHE   59 - QG1   ILE   56   3.72 +/- 0.20  82.191% * 25.4653% (0.34   2.49  21.93) =  74.317%  kept
          QB    PHE   55 - QG1   ILE   56   5.30 +/- 0.06   9.911% * 72.5801% (0.61   3.99  16.07) =  25.541%  kept
          HB3   CYS   53 - QG1   ILE   56   6.23 +/- 0.64   5.262% *  0.5384% (0.90   0.02   0.02) =   0.101%
          HD3   PRO   93 - QG1   ILE   56   6.80 +/- 0.31   2.377% *  0.4359% (0.73   0.02   0.02) =   0.037%
          HD2   ARG+  54 - QG1   ILE   56  10.04 +/- 0.62   0.243% *  0.5679% (0.95   0.02   0.02) =   0.005%
          HD3   PRO   68 - QG1   ILE   56  15.44 +/- 0.66   0.016% *  0.4124% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.22 +/- 0.35 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 4.39 A violated in 20 structures by 5.83 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 21.9:
          QD    PHE   59 - QG1   ILE   56   3.06 +/- 0.45  99.954% * 96.4511% (0.34   1.97  21.93) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.68 +/- 0.33   0.040% *  1.1776% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  17.11 +/- 0.23   0.004% *  0.9771% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - QG1   ILE   56  20.54 +/- 0.79   0.002% *  1.3943% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 4.96, residual support = 110.6:
      O   HN    ILE   56 - HA    ILE   56   2.93 +/- 0.01  98.820% * 95.5920% (0.25   4.96 110.61) =  99.990%  kept
          QE    PHE   60 - HA    ILE   56   6.43 +/- 0.47   0.988% *  0.8747% (0.57   0.02   4.60) =   0.009%
          HN    LEU   63 - HA    ILE   56   8.32 +/- 0.19   0.191% *  0.5270% (0.34   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    ILE   56  23.04 +/- 0.29   0.000% *  1.4614% (0.95   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  26.13 +/- 0.95   0.000% *  1.5449% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 57.72 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.06, residual support = 24.8:
        T HD2   PRO   58 - QB    ALA   57   2.12 +/- 0.12  97.829% * 98.9297% (0.95   5.06  24.76) =  99.997%  kept
          HB2   CYS   53 - QB    ALA   57   4.24 +/- 0.56   2.171% *  0.1409% (0.34   0.02   0.02) =   0.003%
        T HA    VAL   83 - QB    ALA   57  20.36 +/- 0.37   0.000% *  0.4050% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  22.52 +/- 0.43   0.000% *  0.4095% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  21.87 +/- 0.49   0.000% *  0.1149% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2703 (7.44, 1.64, 57.72 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.58, residual support = 23.2:
      O   HN    ALA   57 - QB    ALA   57   2.08 +/- 0.03  99.993% * 93.7124% (0.18   4.58  23.21) = 100.000%  kept
          HE21  GLN   17 - QB    ALA   57  13.49 +/- 1.34   0.002% *  1.6965% (0.73   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  13.49 +/- 0.28   0.001% *  1.3227% (0.57   0.02   0.02) =   0.000%
          HE21  GLN  116 - QB    ALA   57  12.47 +/- 0.50   0.002% *  0.5201% (0.22   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  16.91 +/- 0.31   0.000% *  1.9514% (0.84   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.07 +/- 0.30   0.001% *  0.7969% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.21, residual support = 23.2:
      O   HN    ALA   57 - HA    ALA   57   2.85 +/- 0.01  99.981% * 98.1362% (0.57   4.21  23.21) = 100.000%  kept
          HN    ALA  120 - HA    ALA   57  14.65 +/- 0.29   0.005% *  0.7940% (0.97   0.02   0.02) =   0.000%
          HE21  GLN  116 - HA    ALA   57  14.00 +/- 0.51   0.007% *  0.5322% (0.65   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  15.71 +/- 1.53   0.005% *  0.2288% (0.28   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  18.77 +/- 0.36   0.001% *  0.3088% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 23.2:
      O T QB    ALA   57 - HA    ALA   57   2.14 +/- 0.01  99.890% * 92.7211% (0.53   2.81  23.21) =  99.999%  kept
          HD2   LYS+  74 - HA    ALA   57   7.53 +/- 0.62   0.063% *  1.0481% (0.84   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    ALA   57   8.19 +/- 0.72   0.038% *  0.2198% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.56 +/- 0.55   0.007% *  1.1253% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  15.81 +/- 0.25   0.001% *  1.1583% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  16.13 +/- 0.17   0.001% *  0.6108% (0.49   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  21.16 +/- 0.70   0.000% *  1.0481% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  17.87 +/- 0.42   0.000% *  0.3129% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  17.08 +/- 0.36   0.000% *  0.1936% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  24.43 +/- 1.69   0.000% *  0.8619% (0.69   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  20.35 +/- 1.11   0.000% *  0.3129% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.32 +/- 0.70   0.000% *  0.3873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.139, support = 0.018, residual support = 0.018:
          HN    CYS   53 - HB2   PRO   58  11.33 +/- 0.31  96.815% *  5.7685% (0.15   0.02   0.02) =  89.998%  kept
          HN    GLN   32 - HB2   PRO   58  27.03 +/- 0.58   0.531% * 37.3861% (1.00   0.02   0.02) =   3.198%
          HN    LEU   80 - HB2   PRO   58  23.25 +/- 0.50   1.309% * 11.5391% (0.31   0.02   0.02) =   2.434%
          HN    ALA   34 - HB2   PRO   58  24.75 +/- 0.49   0.904% * 15.3699% (0.41   0.02   0.02) =   2.240%
          HN    SER   85 - HB2   PRO   58  27.87 +/- 0.44   0.442% * 29.9364% (0.80   0.02   0.02) =   2.130%
    Distance limit 4.47 A violated in 20 structures by 6.85 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.25, residual support = 37.6:
      O   HN    PHE   59 - HB3   PRO   58   3.35 +/- 0.15  98.746% * 98.9601% (0.61   6.25  37.60) =  99.997%  kept
          QE    PHE   59 - HB3   PRO   58   8.26 +/- 0.21   0.447% *  0.4320% (0.83   0.02  37.60) =   0.002%
          QD    PHE   60 - HB3   PRO   58   7.84 +/- 0.20   0.612% *  0.1212% (0.23   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB3   PRO   58   9.81 +/- 0.27   0.161% *  0.3331% (0.64   0.02   0.02) =   0.001%
          HN    HIS  122 - HB3   PRO   58  12.81 +/- 0.41   0.033% *  0.0863% (0.17   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  31.14 +/- 0.79   0.000% *  0.0673% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 142.5:
      O   HD2   PRO   58 - HG3   PRO   58   2.30 +/- 0.00  99.976% * 98.9950% (0.95   5.39 142.48) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58   9.31 +/- 0.50   0.024% *  0.1323% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  28.57 +/- 0.34   0.000% *  0.3845% (0.99   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  28.63 +/- 0.47   0.000% *  0.3803% (0.98   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  28.01 +/- 0.58   0.000% *  0.1079% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 142.5:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.881% * 96.9581% (0.76   4.50 142.48) =  99.999%  kept
          HA    THR   46 - HG3   PRO   58  13.06 +/- 0.33   0.070% *  0.5442% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  15.31 +/- 0.74   0.028% *  0.5205% (0.92   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  17.16 +/- 0.33   0.013% *  0.2116% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  21.15 +/- 0.71   0.004% *  0.4515% (0.80   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  22.26 +/- 0.32   0.003% *  0.3420% (0.61   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  25.99 +/- 1.89   0.001% *  0.4515% (0.80   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  30.02 +/- 0.61   0.000% *  0.5205% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.57, residual support = 24.8:
          HN    ALA   57 - HD2   PRO   58   1.93 +/- 0.11  99.997% * 98.5834% (0.54   5.57  24.76) = 100.000%  kept
          HE21  GLN  116 - HD2   PRO   58  12.39 +/- 0.66   0.002% *  0.4046% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   58  14.12 +/- 0.34   0.001% *  0.6035% (0.91   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  17.87 +/- 1.42   0.000% *  0.1739% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  18.38 +/- 0.42   0.000% *  0.2347% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 142.5:
      O   HA    PRO   58 - HD3   PRO   58   3.98 +/- 0.00  97.808% * 97.7769% (0.72   6.52 142.48) =  99.998%  kept
          HA    THR   46 - HD3   PRO   58  10.59 +/- 0.29   0.278% *  0.3786% (0.91   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68   8.69 +/- 0.75   1.047% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HA    GLN   17 - HD3   PRO   58  14.56 +/- 0.68   0.043% *  0.3621% (0.87   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  14.76 +/- 0.38   0.038% *  0.1472% (0.36   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  10.03 +/- 0.39   0.392% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  20.17 +/- 0.61   0.006% *  0.3141% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.81 +/- 0.47   0.148% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  20.22 +/- 0.39   0.006% *  0.2379% (0.57   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  14.10 +/- 1.61   0.067% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.20 +/- 0.72   0.050% *  0.0133% (0.03   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  12.84 +/- 0.37   0.088% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  25.45 +/- 1.65   0.002% *  0.3141% (0.76   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  16.22 +/- 1.17   0.024% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  28.22 +/- 0.58   0.001% *  0.3621% (0.87   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  21.82 +/- 0.61   0.004% *  0.0168% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.92, residual support = 24.8:
          HN    ALA   57 - HD3   PRO   58   2.04 +/- 0.06  99.987% * 97.8910% (0.54   3.92  24.76) = 100.000%  kept
          HE21  GLN  116 - HD3   PRO   58  11.00 +/- 0.59   0.004% *  0.5707% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD3   PRO   58  12.58 +/- 0.32   0.002% *  0.8513% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  17.03 +/- 0.40   0.000% *  0.3311% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  18.21 +/- 1.33   0.000% *  0.2453% (0.26   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  12.00 +/- 1.37   0.003% *  0.0109% (0.01   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  14.44 +/- 0.55   0.001% *  0.0377% (0.04   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  13.08 +/- 0.76   0.002% *  0.0147% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  17.52 +/- 1.03   0.000% *  0.0253% (0.03   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  18.20 +/- 0.70   0.000% *  0.0221% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 24.8:
          QB    ALA   57 - HD3   PRO   58   3.28 +/- 0.10  99.028% * 96.7335% (0.87   3.30  24.76) =  99.999%  kept
          HD2   LYS+  74 - HD3   PRO   58  11.14 +/- 0.59   0.071% *  0.6298% (0.94   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   PRO   58  11.24 +/- 0.44   0.064% *  0.3093% (0.46   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   7.83 +/- 0.67   0.646% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  14.57 +/- 0.29   0.013% *  0.5698% (0.85   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  14.74 +/- 0.28   0.012% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  16.06 +/- 0.45   0.007% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  11.83 +/- 0.74   0.048% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  16.07 +/- 2.31   0.055% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  22.93 +/- 1.11   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  14.86 +/- 0.67   0.012% *  0.0260% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  13.71 +/- 0.90   0.020% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.47 +/- 1.10   0.015% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  23.96 +/- 0.80   0.001% *  0.2612% (0.39   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  17.20 +/- 0.67   0.005% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  25.95 +/- 1.66   0.000% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  25.27 +/- 0.60   0.000% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  30.96 +/- 0.78   0.000% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.06, residual support = 24.8:
        T QB    ALA   57 - HD2   PRO   58   2.12 +/- 0.12  99.988% * 97.9526% (0.87   5.06  24.76) = 100.000%  kept
        T HD2   LYS+  74 - HD2   PRO   58  11.29 +/- 0.64   0.005% *  0.4155% (0.94   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   PRO   58  11.01 +/- 0.47   0.006% *  0.2041% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  16.04 +/- 0.34   0.001% *  0.3760% (0.85   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.36 +/- 0.26   0.001% *  0.2206% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  17.22 +/- 0.48   0.000% *  0.2712% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  23.29 +/- 1.11   0.000% *  0.2712% (0.61   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  24.28 +/- 0.74   0.000% *  0.1723% (0.39   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  26.92 +/- 1.73   0.000% *  0.1166% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 142.5:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.982% * 99.2544% (0.89   7.73 142.48) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   7.53 +/- 0.52   0.017% *  0.0926% (0.32   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  26.13 +/- 0.52   0.000% *  0.2660% (0.93   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  26.38 +/- 0.40   0.000% *  0.2690% (0.94   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  17.58 +/- 0.70   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.71 +/- 0.71   0.000% *  0.0114% (0.04   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.92 +/- 1.51   0.000% *  0.0033% (0.01   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  25.96 +/- 0.52   0.000% *  0.0755% (0.26   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  21.81 +/- 1.02   0.000% *  0.0041% (0.01   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  33.79 +/- 0.59   0.000% *  0.0118% (0.04   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 = 7.73, residual support = 142.5:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.989% * 99.5819% (0.95   7.73 142.48) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.02 +/- 0.11   0.011% *  0.1155% (0.42   0.02   1.23) =   0.000%
          HA    VAL   75 - HD2   PRO   58  16.19 +/- 0.43   0.000% *  0.2310% (0.85   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.71 +/- 0.71   0.000% *  0.0716% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 0.687, support = 6.6, residual support = 37.6:
          HN    PHE   59 - HD2   PRO   58   3.67 +/- 0.02  99.528% * 99.0630% (0.69   6.60  37.60) =  99.999%  kept
          QE    PHE   59 - HD2   PRO   58   9.02 +/- 0.13   0.454% *  0.1410% (0.32   0.02  37.60) =   0.001%
          HN    HIS  122 - HD2   PRO   58  15.55 +/- 0.32   0.017% *  0.4051% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  28.50 +/- 0.76   0.000% *  0.3909% (0.89   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 21.9:
        T QG1   ILE   56 - HB3   PHE   59   2.53 +/- 0.32  99.998% * 97.9799% (0.53   3.00  21.93) = 100.000%  kept
          HB3   LYS+  99 - HB3   PHE   59  17.43 +/- 0.65   0.001% *  0.8032% (0.65   0.02   0.02) =   0.000%
          HB    ILE   89 - HB3   PHE   59  19.64 +/- 0.56   0.001% *  1.2170% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.71, support = 0.0192, residual support = 0.777:
          QE    LYS+ 112 - HB3   PHE   59   5.42 +/- 0.66  67.741% * 18.8072% (0.80   0.02   0.02) =  79.188%  kept
          HB3   ASP-  62 - HB3   PHE   59   6.41 +/- 0.16  25.856% * 10.5301% (0.45   0.02   4.50) =  16.923%  kept
          HB    VAL  107 - HB3   PHE   59   8.28 +/- 0.62   5.793% *  8.8151% (0.38   0.02   0.33) =   3.174%
          HB3   PHE   45 - HB3   PHE   59  11.96 +/- 0.30   0.600% * 18.8072% (0.80   0.02   0.02) =   0.702%
          HG2   GLU-  29 - HB3   PHE   59  25.80 +/- 0.92   0.006% * 22.6669% (0.97   0.02   0.02) =   0.009%
          HB3   ASP-  86 - HB3   PHE   59  27.27 +/- 0.76   0.004% * 20.3736% (0.87   0.02   0.02) =   0.005%
    Distance limit 4.41 A violated in 18 structures by 0.68 A, eliminated.
    Peak unassigned.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 21.9:
        T QG1   ILE   56 - HB2   PHE   59   3.72 +/- 0.20  99.930% * 92.5042% (0.18   2.49  21.93) =  99.999%  kept
          HB    VAL   43 - HB2   PHE   59  13.35 +/- 0.26   0.049% *  1.4489% (0.34   0.02   0.02) =   0.001%
          HB    ILE   89 - HB2   PHE   59  20.87 +/- 0.65   0.003% *  2.7477% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  18.01 +/- 0.47   0.008% *  1.0591% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  18.64 +/- 0.58   0.007% *  1.0591% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  22.29 +/- 1.39   0.002% *  1.1810% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 54.4:
      O   HN    PHE   59 - HB3   PHE   59   2.24 +/- 0.14  99.992% * 97.7222% (0.31   4.98  54.36) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  11.02 +/- 0.37   0.008% *  1.1035% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  26.14 +/- 0.83   0.000% *  1.1743% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 54.4:
      O   HN    PHE   59 - HB2   PHE   59   2.48 +/- 0.16  96.897% * 98.9848% (1.00   4.37  54.36) =  99.988%  kept
          QE    PHE   59 - HB2   PHE   59   4.47 +/- 0.04   3.063% *  0.3626% (0.80   0.02  54.36) =   0.012%
          HN    HIS  122 - HB2   PHE   59  10.36 +/- 0.24   0.019% *  0.2747% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59  10.31 +/- 0.17   0.020% *  0.1398% (0.31   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  27.08 +/- 0.95   0.000% *  0.2382% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.5, residual support = 4.5:
          HB2   ASP-  62 - HA    PHE   59   3.53 +/- 0.09  99.882% * 99.1175% (0.99   1.50   4.50) = 100.000%  kept
          HB2   PRO   52 - HA    PHE   59  13.59 +/- 0.54   0.032% *  0.6490% (0.49   0.02   0.02) =   0.000%
        T QB    ASP- 113 - HA    PHE   59  11.52 +/- 0.26   0.085% *  0.2335% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 1.5, residual support = 4.5:
          HB3   ASP-  62 - HA    PHE   59   3.72 +/- 0.12  99.325% * 87.3075% (0.18   1.50   4.50) =  99.982%  kept
          HG3   GLN  116 - HA    PHE   59   8.69 +/- 0.47   0.653% *  2.2674% (0.34   0.02   0.02) =   0.017%
          HG3   MET   96 - HA    PHE   59  15.42 +/- 0.36   0.020% *  3.4972% (0.53   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HA    PHE   59  27.43 +/- 1.63   0.001% *  5.0799% (0.76   0.02   0.02) =   0.000%
        T HB3   TRP   87 - HA    PHE   59  25.42 +/- 0.59   0.001% *  1.8481% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 54.4:
      O   HN    PHE   59 - HA    PHE   59   2.75 +/- 0.03  96.168% * 99.0863% (1.00   4.86  54.36) =  99.987%  kept
          QE    PHE   59 - HA    PHE   59   4.83 +/- 0.29   3.614% *  0.3263% (0.80   0.02  54.36) =   0.012%
          HN    LYS+  66 - HA    PHE   59   8.08 +/- 0.17   0.152% *  0.1258% (0.31   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59   9.32 +/- 0.33   0.066% *  0.2472% (0.61   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  28.93 +/- 0.83   0.000% *  0.2144% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.607, support = 4.0, residual support = 17.0:
          HN    PHE   60 - HB3   PHE   59   2.38 +/- 0.15  99.886% * 98.7541% (0.61   4.00  17.00) = 100.000%  kept
          HN    GLN  116 - HB3   PHE   59   7.89 +/- 0.30   0.078% *  0.1426% (0.18   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   PHE   59   8.94 +/- 0.35   0.036% *  0.3055% (0.38   0.02   5.91) =   0.000%
          HN    GLU-  15 - HB3   PHE   59  20.07 +/- 0.81   0.000% *  0.7979% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 3.93, residual support = 69.4:
          QD    PHE   60 - HA    PHE   60   2.98 +/- 0.08  81.290% * 99.1018% (1.00   3.93  69.47) =  99.969%  kept
          QE    PHE   59 - HA    PHE   60   4.09 +/- 0.74  18.098% *  0.1261% (0.25   0.02  17.00) =   0.028%
          HN    LYS+  66 - HA    PHE   60   6.76 +/- 0.09   0.611% *  0.3672% (0.73   0.02   0.02) =   0.003%
          HN    LYS+  81 - HA    PHE   60  22.67 +/- 0.96   0.000% *  0.4049% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.64, residual support = 69.5:
      O   HN    PHE   60 - HA    PHE   60   2.84 +/- 0.02  99.920% * 98.9228% (0.61   4.64  69.47) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.30 +/- 0.26   0.044% *  0.2641% (0.38   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.82 +/- 0.25   0.033% *  0.1232% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  16.00 +/- 0.80   0.003% *  0.6898% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 5.07, residual support = 41.2:
      O   HN    ALA   61 - HA    PHE   60   3.61 +/- 0.02  99.974% * 98.3715% (0.84   5.07  41.18) = 100.000%  kept
          HN    TRP   27 - HA    PHE   60  18.07 +/- 0.46   0.006% *  0.4607% (0.99   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    PHE   60  18.30 +/- 0.31   0.006% *  0.4169% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  17.41 +/- 0.62   0.008% *  0.2263% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  24.60 +/- 0.55   0.001% *  0.2446% (0.53   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  24.50 +/- 0.51   0.001% *  0.2084% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  20.64 +/- 0.36   0.003% *  0.0717% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.718, support = 0.0199, residual support = 1.96:
          HA    ASP-  44 - HB2   PHE   60   5.81 +/- 0.17  24.147% * 12.6497% (1.00   0.02   2.92) =  66.943%  kept
          HA    ALA   57 - HB2   PHE   60   4.78 +/- 0.31  75.483% *  1.9561% (0.15   0.02   0.02) =  32.360%  kept
          HB    THR   77 - HB2   PHE   60  14.55 +/- 0.28   0.097% * 12.4268% (0.98   0.02   0.02) =   0.265%
          HA    ILE  103 - HB2   PHE   60  15.88 +/- 0.27   0.058% * 11.7031% (0.92   0.02   0.02) =   0.150%
          HA1   GLY   51 - HB2   PHE   60  15.42 +/- 0.48   0.068% *  4.7581% (0.38   0.02   0.02) =   0.071%
          HA    GLU-  79 - HB2   PHE   60  16.87 +/- 0.64   0.043% *  7.1776% (0.57   0.02   0.02) =   0.067%
          HA    THR   39 - HB2   PHE   60  16.88 +/- 0.50   0.041% *  6.1710% (0.49   0.02   0.02) =   0.056%
          HA    GLU-  14 - HB2   PHE   60  16.90 +/- 1.21   0.044% *  5.2120% (0.41   0.02   0.02) =   0.051%
          HA    SER   85 - HB2   PHE   60  23.88 +/- 0.39   0.005% * 12.4268% (0.98   0.02   0.02) =   0.014%
          HA    ALA   12 - HB2   PHE   60  22.63 +/- 1.49   0.008% *  6.6701% (0.53   0.02   0.02) =   0.011%
          HA    MET   11 - HB2   PHE   60  25.64 +/- 1.73   0.004% * 12.6778% (1.00   0.02   0.02) =   0.010%
          HA    ASP-  86 - HB2   PHE   60  26.82 +/- 0.19   0.002% *  6.1710% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.35 A violated in 14 structures by 0.23 A, eliminated.
    Peak unassigned.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 69.5:
      O   QD    PHE   60 - HB2   PHE   60   2.42 +/- 0.05  99.911% * 98.8200% (0.76   3.76  69.47) = 100.000%  kept
          HN    LYS+  66 - HB2   PHE   60   8.11 +/- 0.13   0.071% *  0.1911% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  11.55 +/- 0.39   0.009% *  0.1714% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   PHE   60  11.49 +/- 0.23   0.009% *  0.1360% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  20.51 +/- 0.96   0.000% *  0.6814% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 4.81, residual support = 41.2:
          HN    ALA   61 - HB2   PHE   60   3.07 +/- 0.16  99.985% * 95.6668% (0.38   4.81  41.18) = 100.000%  kept
          HN    TRP   27 - HB2   PHE   60  16.23 +/- 0.54   0.005% *  0.8482% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  17.89 +/- 0.64   0.003% *  0.9779% (0.92   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   PHE   60  16.99 +/- 0.37   0.004% *  0.4749% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  20.47 +/- 0.42   0.001% *  0.5573% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  19.41 +/- 0.46   0.002% *  0.3613% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   PHE   60  23.19 +/- 0.33   0.001% *  0.9500% (0.90   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  23.70 +/- 0.56   0.000% *  0.1634% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.5, residual support = 69.5:
      O   HN    PHE   60 - HB2   PHE   60   3.29 +/- 0.05  99.931% * 98.8908% (0.61   4.50  69.47) = 100.000%  kept
          HN    GLU-  15 - HB2   PHE   60  15.14 +/- 0.87   0.011% *  0.7103% (0.98   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   PHE   60  12.75 +/- 0.26   0.030% *  0.2720% (0.38   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  12.87 +/- 0.29   0.028% *  0.1269% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 1.0, support = 2.89, residual support = 10.4:
        T QD1   LEU   63 - HA    PHE   60   2.57 +/- 0.40  91.102% * 97.3438% (1.00   2.89  10.44) =  99.961%  kept
          QD2   LEU   63 - HA    PHE   60   4.38 +/- 0.45   8.435% *  0.3813% (0.57   0.02  10.44) =   0.036%
          QD2   LEU  115 - HA    PHE   60   6.46 +/- 0.47   0.436% *  0.5626% (0.84   0.02   0.02) =   0.003%
        T QD1   LEU   73 - HA    PHE   60  11.51 +/- 0.21   0.014% *  0.6736% (1.00   0.02   0.59) =   0.000%
        T QD1   LEU  104 - HA    PHE   60  11.57 +/- 0.59   0.012% *  0.3813% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  17.58 +/- 1.09   0.001% *  0.5393% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  20.37 +/- 0.59   0.000% *  0.1180% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 10.4:
        T HB2   LEU   63 - HA    PHE   60   2.04 +/- 0.14  99.670% * 89.3097% (0.92   1.50  10.44) =  99.995%  kept
          HB3   ASP-  44 - HA    PHE   60   5.60 +/- 0.73   0.308% *  1.2644% (0.98   0.02   2.92) =   0.004%
          HB3   PRO   93 - HA    PHE   60   9.57 +/- 0.50   0.010% *  1.1190% (0.87   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  13.43 +/- 1.27   0.002% *  1.2449% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  13.70 +/- 0.46   0.001% *  1.2871% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  11.28 +/- 0.50   0.004% *  0.1990% (0.15   0.02   0.59) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  14.29 +/- 0.31   0.001% *  0.7824% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  13.26 +/- 0.51   0.001% *  0.2872% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  14.16 +/- 0.31   0.001% *  0.3981% (0.31   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  17.73 +/- 0.26   0.000% *  1.1569% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  18.12 +/- 0.45   0.000% *  0.8861% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  16.16 +/- 0.42   0.000% *  0.4400% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  20.35 +/- 0.61   0.000% *  1.0775% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  21.28 +/- 1.17   0.000% *  0.3217% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.80 +/- 0.89   0.000% *  0.2259% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.328, support = 0.0192, residual support = 0.0192:
        T QG2   VAL   18 - HA    ALA   61   3.74 +/- 0.72  97.364% *  7.8238% (0.34   0.02   0.02) =  96.124%  kept
          QD1   ILE   56 - HA    ALA   61   8.35 +/- 0.16   1.131% * 13.9117% (0.61   0.02   0.02) =   1.986%
          QD2   LEU   73 - HA    ALA   61  10.26 +/- 0.38   0.304% * 19.8957% (0.87   0.02   0.02) =   0.764%
          QG2   THR   46 - HA    ALA   61   8.63 +/- 0.42   0.967% *  5.7193% (0.25   0.02   0.02) =   0.698%
          QG1   VAL   43 - HA    ALA   61  11.44 +/- 0.23   0.165% * 12.9856% (0.57   0.02   0.02) =   0.271%
        T QG1   VAL   41 - HA    ALA   61  13.60 +/- 0.27   0.058% * 17.5287% (0.76   0.02   0.02) =   0.127%
          HG    LEU   31 - HA    ALA   61  17.95 +/- 0.98   0.010% * 22.1353% (0.97   0.02   0.02) =   0.029%
    Distance limit 3.31 A violated in 15 structures by 0.61 A, eliminated.
    Peak unassigned.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 6.76:
        T QB    ALA   64 - HA    ALA   61   2.92 +/- 0.16  99.896% * 97.6669% (0.34   2.31   6.76) =  99.999%  kept
          QD1   LEU  115 - HA    ALA   61   9.66 +/- 0.78   0.088% *  1.4030% (0.57   0.02   0.02) =   0.001%
        T QG1   VAL   75 - HA    ALA   61  12.84 +/- 0.98   0.016% *  0.9301% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.76:
          HN    ALA   64 - HA    ALA   61   3.67 +/- 0.11 100.000% *100.0000% (0.84   0.75   6.76) = 100.000%  kept
    Distance limit 4.51 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 = 2.72, residual support = 17.8:
      O   HN    ALA   61 - HA    ALA   61   2.76 +/- 0.03  99.996% * 92.5744% (0.38   2.72  17.77) = 100.000%  kept
          HN    TRP   27 - HA    ALA   61  18.21 +/- 0.56   0.001% *  1.4536% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  18.81 +/- 0.69   0.001% *  1.6757% (0.92   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  20.20 +/- 0.46   0.001% *  0.8139% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  21.79 +/- 0.55   0.000% *  0.9551% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.71 +/- 0.47   0.000% *  0.6192% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  26.67 +/- 0.36   0.000% *  1.6280% (0.90   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  27.37 +/- 0.59   0.000% *  0.2801% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.726, support = 3.64, residual support = 69.5:
      O   QD    PHE   60 - HB3   PHE   60   2.39 +/- 0.04  97.036% * 98.2909% (0.73   3.64  69.47) =  99.991%  kept
          QE    PHE   59 - HB3   PHE   60   5.53 +/- 0.90   0.962% *  0.4811% (0.65   0.02  17.00) =   0.005%
          HN    PHE   59 - HB3   PHE   60   4.59 +/- 0.09   1.967% *  0.2068% (0.28   0.02  17.00) =   0.004%
          HN    LYS+  66 - HB3   PHE   60   8.98 +/- 0.11   0.035% *  0.7421% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  20.53 +/- 1.00   0.000% *  0.2791% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 4.64, residual support = 69.5:
      O   HN    PHE   60 - HB3   PHE   60   1.95 +/- 0.04 100.000% * 98.2117% (0.20   4.64  69.47) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  16.80 +/- 0.87   0.000% *  1.7883% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.775, support = 0.02, residual support = 0.02:
          HN    THR   39 - HB3   PHE   60  19.33 +/- 0.62  22.209% * 23.3294% (0.92   0.02   0.02) =  31.134%  kept
          HN    TRP   27 - HB3   PHE   60  17.33 +/- 0.55  42.650% *  8.6206% (0.34   0.02   0.02) =  22.094%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.24 +/- 0.47  16.828% * 20.2366% (0.80   0.02   0.02) =  20.464%  kept
          HN    GLU-  36 - HB3   PHE   60  21.92 +/- 0.39  10.364% * 23.9067% (0.95   0.02   0.02) =  14.889%  kept
          HD1   TRP   87 - HB3   PHE   60  22.95 +/- 0.41   7.949% * 23.9067% (0.95   0.02   0.02) =  11.420%  kept
    Distance limit 4.06 A violated in 20 structures by 10.95 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.12, residual support = 5.58:
          HA    LYS+  81 - QB    ALA   84   1.97 +/- 0.09  99.998% * 86.5918% (0.33   2.12   5.58) = 100.000%  kept
        T HA    ASN   28 - QB    ALA   84  14.86 +/- 0.45   0.001% *  2.2115% (0.89   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  15.72 +/- 0.37   0.000% *  2.0781% (0.84   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  19.15 +/- 0.72   0.000% *  2.1485% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  15.23 +/- 0.56   0.001% *  0.3696% (0.15   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA   84  21.54 +/- 0.27   0.000% *  1.8309% (0.74   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  21.17 +/- 1.38   0.000% *  1.3563% (0.55   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  20.85 +/- 0.91   0.000% *  0.9849% (0.40   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  24.51 +/- 0.51   0.000% *  0.5974% (0.24   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  29.74 +/- 0.60   0.000% *  1.8309% (0.74   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.243, support = 0.02, residual support = 10.2:
          HA    SER   85 - QB    ALA   84   3.82 +/- 0.05  67.902% *  3.3557% (0.15   0.02  17.29) =  59.178%  kept
          HB    THR   77 - QB    ALA   84   4.49 +/- 0.21  26.159% *  3.3557% (0.15   0.02   0.02) =  22.798%  kept
          HA    ASP-  86 - QB    ALA   84   6.58 +/- 0.04   2.616% * 18.8652% (0.84   0.02   0.02) =  12.818%  kept
          HA    TRP   87 - QB    ALA   84   6.34 +/- 0.16   3.266% *  6.0469% (0.27   0.02   0.02) =   5.129%  kept
        T HA    ASP-  44 - QB    ALA   84  12.59 +/- 0.25   0.053% *  4.3040% (0.19   0.02   0.02) =   0.060%
          HA    LEU  104 - QB    ALA   84  22.21 +/- 0.59   0.002% * 20.9887% (0.93   0.02   0.02) =   0.010%
          HA    GLU-  14 - QB    ALA   84  25.10 +/- 1.42   0.001% * 20.0763% (0.89   0.02   0.02) =   0.005%
          HA    ALA   12 - QB    ALA   84  29.13 +/- 2.61   0.000% * 18.1658% (0.81   0.02   0.02) =   0.002%
          HA    MET   11 - QB    ALA   84  31.69 +/- 2.37   0.000% *  4.8419% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 3.89, residual support = 17.0:
      O   HN    ALA   84 - QB    ALA   84   2.09 +/- 0.09  99.983% * 94.3471% (0.30   3.89  16.96) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   9.49 +/- 0.39   0.012% *  1.1420% (0.70   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84  13.23 +/- 0.53   0.002% *  1.4104% (0.87   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  15.39 +/- 0.42   0.001% *  1.0803% (0.66   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  12.93 +/- 0.37   0.002% *  0.2754% (0.17   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  15.57 +/- 0.77   0.001% *  0.4854% (0.30   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  20.15 +/- 0.25   0.000% *  1.2593% (0.77   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.772, support = 3.27, residual support = 17.3:
          HN    SER   85 - QB    ALA   84   2.77 +/- 0.11  85.887% * 98.5876% (0.77   3.27  17.29) =  99.961%  kept
          HN    LEU   80 - QB    ALA   84   3.84 +/- 0.48  14.101% *  0.2326% (0.30   0.02   0.14) =   0.039%
          HN    CYS   53 - QB    ALA   84  12.48 +/- 0.56   0.011% *  0.1163% (0.15   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    ALA   84  18.37 +/- 0.49   0.001% *  0.7537% (0.97   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  19.94 +/- 0.33   0.001% *  0.3098% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.744, support = 0.886, residual support = 15.5:
          HN    ALA  124 - QB    ALA  120   3.02 +/- 0.05  81.449% * 20.3032% (0.57   0.54   1.29) =  53.081%  kept
          HN    LEU  123 - QB    ALA  120   3.87 +/- 0.11  18.550% * 78.7945% (0.94   1.28  31.57) =  46.919%  kept
          HE21  GLN   17 - QB    ALA  120  20.52 +/- 0.97   0.001% *  0.9023% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.07, residual support = 5.88:
        T HA    SER  117 - QB    ALA  120   3.19 +/- 0.06  99.970% * 95.0031% (0.54   2.07   5.88) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  14.27 +/- 0.28   0.013% *  1.5329% (0.89   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  17.04 +/- 0.61   0.004% *  0.9175% (0.54   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  14.67 +/- 0.29   0.011% *  0.2838% (0.17   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  20.95 +/- 0.39   0.001% *  1.1131% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  26.07 +/- 0.48   0.000% *  0.7888% (0.46   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  26.31 +/- 0.54   0.000% *  0.3608% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 17.8:
      O   HN    ALA   61 - QB    ALA   61   2.10 +/- 0.07  99.966% * 96.8227% (0.97   3.97  17.77) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   8.77 +/- 0.45   0.020% *  0.3709% (0.73   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110   9.61 +/- 0.25   0.011% *  0.3611% (0.71   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  15.08 +/- 0.90   0.001% *  0.2717% (0.54   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  16.69 +/- 0.46   0.000% *  0.5012% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  16.63 +/- 0.50   0.000% *  0.4535% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  18.63 +/- 0.32   0.000% *  0.3356% (0.66   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  16.48 +/- 0.98   0.000% *  0.1040% (0.21   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.70 +/- 0.57   0.000% *  0.1561% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  23.19 +/- 0.42   0.000% *  0.3672% (0.73   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  22.80 +/- 0.28   0.000% *  0.1406% (0.28   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.15 +/- 0.48   0.000% *  0.1155% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 9.59:
      O   HN    ALA  110 - QB    ALA  110   2.03 +/- 0.06  99.947% * 97.0566% (0.87   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   7.91 +/- 0.24   0.030% *  0.6829% (0.65   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61  10.44 +/- 0.20   0.006% *  0.5053% (0.48   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   9.46 +/- 0.23   0.010% *  0.2172% (0.21   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  10.63 +/- 0.23   0.005% *  0.2935% (0.28   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  12.84 +/- 0.20   0.002% *  0.6776% (0.64   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  19.74 +/- 0.38   0.000% *  0.3258% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  19.19 +/- 0.50   0.000% *  0.2411% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.998, support = 2.79, residual support = 8.35:
          HN    ASP-  62 - QB    ALA   61   2.68 +/- 0.05  96.924% * 96.2308% (1.00   2.79   8.35) =  99.991%  kept
          HN    PHE   55 - QB    ALA  110   5.07 +/- 0.31   2.267% *  0.2295% (0.33   0.02   0.45) =   0.006%
          HN    ARG+  54 - QB    ALA  110   6.26 +/- 0.28   0.619% *  0.4440% (0.64   0.02   0.02) =   0.003%
          HN    ARG+  54 - QB    ALA   61   8.92 +/- 0.21   0.073% *  0.6001% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61   8.58 +/- 0.18   0.092% *  0.3101% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  10.87 +/- 0.22   0.022% *  0.5108% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  16.87 +/- 0.53   0.002% *  0.6781% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  19.74 +/- 0.21   0.001% *  0.5018% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.29 +/- 0.54   0.001% *  0.2844% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  23.17 +/- 0.31   0.000% *  0.2105% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.877, support = 0.0196, residual support = 0.0196:
          HA    LEU  104 - HB2   ASP-  62  18.05 +/- 0.81  50.912% * 28.1529% (1.00   0.02   0.02) =  58.739%  kept
          HA    GLU-  14 - HB2   ASP-  62  19.07 +/- 0.82  36.819% * 21.5631% (0.76   0.02   0.02) =  32.536%  kept
          HA    ALA   12 - HB2   ASP-  62  24.28 +/- 1.23   8.699% * 18.2527% (0.65   0.02   0.02) =   6.507%  kept
          HA    TRP   87 - HB2   ASP-  62  30.36 +/- 0.44   2.236% * 12.6499% (0.45   0.02   0.02) =   1.159%
          HA    ASP-  86 - HB2   ASP-  62  33.09 +/- 0.28   1.333% * 19.3814% (0.69   0.02   0.02) =   1.058%
    Distance limit 3.90 A violated in 20 structures by 12.27 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.868, support = 0.0196, residual support = 0.0196:
          HA    LEU  104 - HB3   ASP-  62  17.65 +/- 0.82  53.684% * 28.1529% (0.98   0.02   0.02) =  61.389%  kept
          HA    GLU-  14 - HB3   ASP-  62  19.00 +/- 0.86  34.783% * 21.5631% (0.75   0.02   0.02) =  30.465%  kept
          HA    ALA   12 - HB3   ASP-  62  24.21 +/- 1.26   8.320% * 18.2527% (0.63   0.02   0.02) =   6.168%  kept
          HA    TRP   87 - HB3   ASP-  62  30.53 +/- 0.46   2.018% * 12.6499% (0.44   0.02   0.02) =   1.037%
        T HA    ASP-  86 - HB3   ASP-  62  33.30 +/- 0.33   1.195% * 19.3814% (0.67   0.02   0.02) =   0.941%
    Distance limit 3.60 A violated in 20 structures by 12.36 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.99, residual support = 3.64:
          HN    LYS+  65 - HA    ASP-  62   3.42 +/- 0.13 100.000% *100.0000% (0.15   0.99   3.64) = 100.000%  kept
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.83 +/- 0.00  99.986% * 98.6062% (1.00   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  14.70 +/- 0.17   0.005% *  0.4466% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  13.64 +/- 0.16   0.008% *  0.2308% (0.45   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  21.28 +/- 0.56   0.001% *  0.5047% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.02 +/- 0.64   0.000% *  0.2117% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 5.25, residual support = 42.5:
          HN    LEU   63 - HB2   ASP-  62   3.16 +/- 0.38  99.868% * 98.7149% (0.97   5.25  42.51) = 100.000%  kept
          HN    ILE   56 - HB2   ASP-  62  10.29 +/- 0.34   0.111% *  0.3495% (0.90   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   ASP-  62  13.49 +/- 0.30   0.020% *  0.2050% (0.53   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  24.30 +/- 0.34   0.001% *  0.2677% (0.69   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  27.70 +/- 0.35   0.000% *  0.2050% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  31.69 +/- 0.71   0.000% *  0.1897% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  28.75 +/- 0.69   0.000% *  0.0682% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.35 +/- 0.29  99.996% * 98.1837% (0.69   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  13.41 +/- 0.46   0.003% *  0.7187% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  22.93 +/- 0.80   0.000% *  0.6459% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  22.11 +/- 0.52   0.000% *  0.4517% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 42.5:
          HN    LEU   63 - HB3   ASP-  62   3.05 +/- 0.42  99.893% * 98.7149% (0.95   5.25  42.51) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62  10.69 +/- 0.48   0.090% *  0.3495% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  13.56 +/- 0.35   0.016% *  0.2050% (0.52   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  24.27 +/- 0.45   0.000% *  0.2677% (0.67   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  27.92 +/- 0.37   0.000% *  0.2050% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  31.77 +/- 0.72   0.000% *  0.1897% (0.48   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  28.61 +/- 0.58   0.000% *  0.0682% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.68 +/- 0.32  99.983% * 98.6062% (0.98   3.84  41.03) = 100.000%  kept
          HN    PHE   55 - HB3   ASP-  62  12.41 +/- 0.55   0.011% *  0.2308% (0.44   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   ASP-  62  13.88 +/- 0.62   0.006% *  0.4466% (0.85   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  22.04 +/- 0.62   0.000% *  0.5047% (0.96   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  22.65 +/- 0.76   0.000% *  0.2117% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.34, residual support = 6.12:
          QB    LYS+  66 - HA    LEU   63   2.33 +/- 0.22  99.065% * 95.4316% (1.00   2.34   6.12) =  99.995%  kept
          QB    LYS+  65 - HA    LEU   63   5.32 +/- 0.10   0.796% *  0.4627% (0.57   0.02   1.22) =   0.004%
          HG    LEU  123 - HA    LEU   63   7.31 +/- 0.68   0.129% *  0.4627% (0.57   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU   63  13.61 +/- 0.29   0.003% *  0.7731% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LEU   63  12.72 +/- 0.29   0.004% *  0.4300% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  15.88 +/- 0.83   0.001% *  0.7330% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  16.23 +/- 0.60   0.001% *  0.6827% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  16.56 +/- 0.53   0.001% *  0.5614% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  17.70 +/- 0.54   0.001% *  0.4627% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 1.6, residual support = 6.12:
          HN    LYS+  66 - HA    LEU   63   3.28 +/- 0.16  94.834% * 95.3698% (0.53   1.60   6.12) =  99.954%  kept
          QD    PHE   60 - HA    LEU   63   6.69 +/- 0.21   1.393% *  2.1836% (0.97   0.02  10.44) =   0.034%
          QE    PHE   59 - HA    LEU   63   5.90 +/- 0.66   3.773% *  0.3062% (0.14   0.02   0.38) =   0.013%
          HN    LYS+  81 - HA    LEU   63  27.20 +/- 0.92   0.000% *  2.1404% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 243.5:
      O   HN    LEU   63 - HA    LEU   63   2.81 +/- 0.02  99.983% * 99.0656% (1.00   7.54 243.47) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  13.04 +/- 0.16   0.010% *  0.2611% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.16 +/- 0.45   0.006% *  0.1913% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  21.62 +/- 0.31   0.000% *  0.1282% (0.49   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  27.36 +/- 0.36   0.000% *  0.1913% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  25.04 +/- 0.50   0.000% *  0.0813% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  30.51 +/- 0.71   0.000% *  0.0813% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 10.4:
        T HA    PHE   60 - HB2   LEU   63   2.04 +/- 0.14  99.941% * 86.6046% (0.49   1.50  10.44) =  99.999%  kept
          HA    LYS+  65 - HB2   LEU   63   7.66 +/- 0.10   0.038% *  0.4155% (0.18   0.02   1.22) =   0.000%
          HA    ALA  120 - HB2   LEU   63  10.15 +/- 0.71   0.008% *  1.2481% (0.53   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  11.34 +/- 0.37   0.004% *  2.1899% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU   63  11.78 +/- 0.41   0.003% *  2.3253% (0.98   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  13.01 +/- 0.21   0.002% *  2.0578% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  11.83 +/- 0.40   0.003% *  0.5282% (0.22   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  17.33 +/- 0.71   0.000% *  1.8130% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  18.23 +/- 0.24   0.000% *  2.2894% (0.97   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  25.38 +/- 0.52   0.000% *  0.5282% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.21, residual support = 54.9:
          HN    ALA   64 - HB2   LEU   63   2.73 +/- 0.09 100.000% *100.0000% (0.57   7.21  54.88) = 100.000%  kept
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.49, residual support = 18.9:
          QE    PHE   72 - HB2   LEU   63   2.46 +/- 0.40  99.997% * 99.3075% (0.99   2.49  18.86) = 100.000%  kept
          HN    ALA   47 - HB2   LEU   63  15.03 +/- 0.31   0.003% *  0.3612% (0.45   0.02   0.02) =   0.000%
          HD22  ASN   28 - HB2   LEU   63  20.30 +/- 0.51   0.000% *  0.3312% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.99, residual support = 243.5:
      O   HN    LEU   63 - HB2   LEU   63   2.20 +/- 0.08  99.988% * 99.1178% (1.00   7.99 243.47) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  10.78 +/- 0.27   0.007% *  0.2465% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  12.02 +/- 0.46   0.004% *  0.1806% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  19.58 +/- 0.44   0.000% *  0.1210% (0.49   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  24.45 +/- 0.40   0.000% *  0.1806% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  24.11 +/- 0.67   0.000% *  0.0768% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  27.82 +/- 0.66   0.000% *  0.0768% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 4.54, residual support = 42.5:
          HN    ASP-  62 - HB2   LEU   63   4.36 +/- 0.07  99.744% * 98.5500% (0.76   4.54  42.51) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  12.99 +/- 0.20   0.142% *  0.5091% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.08 +/- 0.21   0.088% *  0.2334% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  17.48 +/- 0.57   0.025% *  0.4742% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  27.29 +/- 0.35   0.002% *  0.2334% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.85, residual support = 54.9:
          HN    ALA   64 - HB3   LEU   63   3.43 +/- 0.24 100.000% *100.0000% (0.57   6.85  54.88) = 100.000%  kept
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 18.9:
        T HZ    PHE   72 - HB3   LEU   63   2.57 +/- 0.53  99.997% * 99.8906% (0.87   3.25  18.86) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  15.67 +/- 0.47   0.003% *  0.1094% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 243.5:
      O   HN    LEU   63 - HB3   LEU   63   3.46 +/- 0.09  99.906% * 99.0739% (1.00   7.61 243.47) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.36 +/- 0.29   0.048% *  0.2587% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  12.81 +/- 0.51   0.040% *  0.1896% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  19.32 +/- 0.54   0.003% *  0.1271% (0.49   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  25.13 +/- 0.48   0.001% *  0.1896% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  23.27 +/- 0.76   0.001% *  0.0806% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  28.07 +/- 0.77   0.000% *  0.0806% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.764, support = 7.58, residual support = 243.5:
          HN    LEU   63 - HG    LEU   63   2.90 +/- 0.51  98.915% * 98.9455% (0.76   7.58 243.47) =  99.999%  kept
          QE    PHE   60 - HG    LEU   63   6.89 +/- 0.36   1.017% *  0.0676% (0.20   0.02  10.44) =   0.001%
          HN    ILE   56 - HG    LEU   63  11.22 +/- 0.69   0.035% *  0.2209% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  11.74 +/- 0.60   0.032% *  0.0949% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  21.48 +/- 0.64   0.001% *  0.3152% (0.92   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  28.99 +/- 0.85   0.000% *  0.2609% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  26.10 +/- 0.62   0.000% *  0.0949% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 2.89, residual support = 10.4:
        T HA    PHE   60 - QD1   LEU   63   2.57 +/- 0.40  98.829% * 54.6136% (0.14   2.89  10.44) =  99.956%  kept
          HA    ALA  120 - QD1   LEU   63   7.37 +/- 0.59   0.333% *  2.6414% (0.95   0.02   0.02) =   0.016%
          HA    LYS+ 121 - QD1   LEU   63   7.84 +/- 0.42   0.229% *  2.5776% (0.92   0.02   0.02) =   0.011%
          QB    SER  117 - QD1   LEU   63   7.84 +/- 0.37   0.204% *  1.6936% (0.61   0.02   0.02) =   0.006%
          HA    LYS+  65 - QD1   LEU   63   8.52 +/- 0.21   0.098% *  1.5809% (0.57   0.02   1.22) =   0.003%
          HB    THR   94 - QD1   LEU   63   9.76 +/- 0.11   0.045% *  2.6948% (0.97   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD1   LEU  104   8.51 +/- 0.51   0.103% *  0.6309% (0.23   0.02   0.02) =   0.001%
          HB    THR   94 - QD1   LEU   73  11.10 +/- 0.35   0.021% *  2.6948% (0.97   0.02   0.02) =   0.001%
          QB    SER   48 - QD1   LEU   73  12.26 +/- 0.52   0.012% *  2.7861% (1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU   63  11.85 +/- 0.46   0.014% *  1.8063% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  12.69 +/- 0.56   0.009% *  1.8063% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  13.29 +/- 0.36   0.008% *  1.5809% (0.57   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  11.55 +/- 0.48   0.016% *  0.6466% (0.23   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  14.92 +/- 0.60   0.003% *  2.7861% (1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  11.54 +/- 0.49   0.017% *  0.4146% (0.15   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  15.23 +/- 0.34   0.003% *  2.4221% (0.87   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU   73  11.51 +/- 0.21   0.017% *  0.3779% (0.14   0.02   0.59) =   0.000%
          QB    SER   85 - QD1   LEU   73  16.02 +/- 0.30   0.002% *  1.8063% (0.65   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  14.18 +/- 0.56   0.005% *  0.6596% (0.24   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  18.44 +/- 0.33   0.001% *  2.5776% (0.92   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  13.38 +/- 0.54   0.007% *  0.3870% (0.14   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  18.61 +/- 0.38   0.001% *  2.4221% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  13.98 +/- 0.99   0.005% *  0.4422% (0.16   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  17.86 +/- 0.38   0.001% *  1.6936% (0.61   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  19.40 +/- 0.50   0.001% *  2.6414% (0.95   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  11.57 +/- 0.59   0.015% *  0.0925% (0.03   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  20.91 +/- 0.48   0.000% *  1.8063% (0.65   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  20.89 +/- 0.71   0.000% *  0.6820% (0.24   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  24.07 +/- 0.57   0.000% *  0.5929% (0.21   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  24.48 +/- 0.76   0.000% *  0.4422% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 2.92, residual support = 36.5:
        T HZ3   TRP   27 - QD1   LEU   73   3.16 +/- 0.22  98.530% * 96.9522% (0.49   2.92  36.46) =  99.985%  kept
          HZ    PHE   45 - QD1   LEU   73   6.59 +/- 0.30   1.300% *  0.9898% (0.73   0.02   0.02) =   0.013%
        T HZ3   TRP   27 - QD1   LEU   63  10.49 +/- 0.36   0.082% *  0.6635% (0.49   0.02   0.02) =   0.001%
          HZ    PHE   45 - QD1   LEU   63  12.05 +/- 0.24   0.035% *  0.9898% (0.73   0.02   0.02) =   0.000%
        T HZ3   TRP   27 - QD1   LEU  104  12.05 +/- 0.83   0.037% *  0.1624% (0.12   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  13.69 +/- 0.64   0.016% *  0.2423% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.599, support = 0.695, residual support = 3.34:
          QE    PHE   59 - QD1   LEU   63   2.24 +/- 0.14  94.556% *  9.9084% (0.49   0.33   0.38) =  70.560%  kept
          QD    PHE   60 - QD1   LEU   63   3.82 +/- 0.30   4.678% * 83.4835% (0.87   1.57  10.44) =  29.411%  kept
          HN    LYS+  66 - QD1   LEU   63   6.31 +/- 0.12   0.204% *  1.1612% (0.95   0.02   6.12) =   0.018%
          HN    PHE   59 - QD1   LEU   63   5.45 +/- 0.47   0.492% *  0.2150% (0.18   0.02   0.38) =   0.008%
          QD    PHE   60 - QD1   LEU   73   8.65 +/- 0.21   0.030% *  1.0648% (0.87   0.02   0.59) =   0.002%
          QE    PHE   59 - QD1   LEU   73  11.81 +/- 0.96   0.005% *  0.5975% (0.49   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104   9.64 +/- 0.40   0.016% *  0.1463% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  10.66 +/- 0.57   0.009% *  0.2606% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU   73  13.89 +/- 0.24   0.002% *  1.1612% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  11.75 +/- 0.56   0.005% *  0.2842% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  13.54 +/- 0.31   0.002% *  0.6458% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  15.21 +/- 0.26   0.001% *  0.2150% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  20.41 +/- 0.84   0.000% *  0.6458% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  15.39 +/- 0.56   0.001% *  0.0526% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  24.39 +/- 0.94   0.000% *  0.1581% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.764, support = 6.56, residual support = 243.3:
          HN    LEU   63 - QD1   LEU   63   3.58 +/- 0.24  66.165% * 96.9524% (0.76   6.56 243.47) =  99.921%  kept
          HD21  ASN   28 - QD1   LEU   73   5.05 +/- 0.08   8.564% *  0.3568% (0.92   0.02   4.04) =   0.048%
          QE    PHE   60 - QD1   LEU   63   4.27 +/- 0.25  23.548% *  0.0765% (0.20   0.02  10.44) =   0.028%
          HN    ILE   56 - QD1   LEU   63   8.68 +/- 0.34   0.325% *  0.2501% (0.65   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63   8.31 +/- 0.42   0.459% *  0.1075% (0.28   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU   73   7.80 +/- 0.28   0.622% *  0.0765% (0.20   0.02   0.59) =   0.001%
          HN    LEU   63 - QD1   LEU   73  13.26 +/- 0.26   0.026% *  0.2954% (0.76   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  11.96 +/- 0.57   0.048% *  0.0723% (0.19   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104   9.81 +/- 0.69   0.165% *  0.0187% (0.05   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  16.49 +/- 0.36   0.007% *  0.3568% (0.92   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  15.92 +/- 0.25   0.009% *  0.2501% (0.65   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  14.16 +/- 0.33   0.018% *  0.1075% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   73  17.48 +/- 1.06   0.006% *  0.2954% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  15.41 +/- 0.63   0.011% *  0.0873% (0.23   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  16.33 +/- 0.31   0.008% *  0.1075% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  22.24 +/- 0.76   0.001% *  0.2954% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.35 +/- 0.38   0.011% *  0.0263% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  18.12 +/- 0.55   0.004% *  0.0612% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  20.11 +/- 0.54   0.002% *  0.1075% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  23.35 +/- 1.03   0.001% *  0.0723% (0.19   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  23.60 +/- 0.87   0.001% *  0.0263% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 1 structures by 0.01 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - HA    ALA   64   2.80 +/- 0.03 100.000% *100.0000% (0.97   4.22  20.79) = 100.000%  kept
    Distance limit 3.96 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 = 0.73, support = 2.98, residual support = 39.3:
        T QD    PHE   72 - HA    ALA   64   3.26 +/- 0.22  41.524% * 62.4094% (0.87   3.10  39.27) =  54.321%  kept
        T HZ    PHE   72 - HA    ALA   64   3.06 +/- 0.37  58.468% * 37.2713% (0.57   2.83  39.27) =  45.679%  kept
          QE    PHE   45 - HA    ALA   64  13.38 +/- 0.22   0.008% *  0.3193% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.17, residual support = 4.28:
          HN    LEU   67 - HA    ALA   64   3.31 +/- 0.14  99.893% * 92.5337% (0.87   1.17   4.28) =  99.998%  kept
          QE    PHE   95 - HA    ALA   64  11.81 +/- 0.48   0.053% *  1.7912% (0.98   0.02   0.02) =   0.001%
          HE3   TRP   27 - HA    ALA   64  12.72 +/- 0.41   0.034% *  1.0346% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  16.06 +/- 0.25   0.008% *  1.1821% (0.65   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  17.39 +/- 0.56   0.005% *  1.8112% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  16.87 +/- 0.69   0.006% *  0.6858% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  22.64 +/- 0.90   0.001% *  0.9614% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 2.18, residual support = 8.4:
          QG2   VAL   18 - QB    ALA   64   2.55 +/- 0.52  98.423% * 95.3869% (0.84   2.18   8.41) =  99.991%  kept
          QD2   LEU   73 - QB    ALA   64   6.43 +/- 0.26   0.639% *  0.3936% (0.38   0.02   0.17) =   0.003%
          QG1   VAL   43 - QB    ALA   64   7.86 +/- 0.16   0.184% *  1.0280% (0.98   0.02   0.02) =   0.002%
          QG2   THR   46 - QB    ALA   64   7.92 +/- 0.38   0.191% *  0.7615% (0.73   0.02   0.02) =   0.002%
          QD1   ILE   19 - QB    ALA   64   7.52 +/- 0.28   0.270% *  0.3936% (0.38   0.02   0.02) =   0.001%
          QG1   VAL   41 - QB    ALA   64   8.97 +/- 0.26   0.080% *  1.0395% (0.99   0.02   0.02) =   0.001%
          QD1   ILE   56 - QB    ALA   64   7.96 +/- 0.17   0.179% *  0.1837% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  12.59 +/- 0.89   0.011% *  0.5518% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  11.46 +/- 0.51   0.021% *  0.2615% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 1 structures by 0.01 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.942, support = 1.07, residual support = 6.24:
          QB    ALA   61 - QB    ALA   64   4.20 +/- 0.10  65.623% * 26.4799% (0.92   0.99   6.76) =  68.804%  kept
          HB3   LEU   67 - QB    ALA   64   5.55 +/- 0.54  15.004% * 36.5294% (0.99   1.27   4.28) =  21.702%  kept
          QG    LYS+  66 - QB    ALA   64   6.21 +/- 0.47   6.971% * 33.9680% (0.98   1.19   7.04) =   9.376%  kept
          HG    LEU   67 - QB    ALA   64   6.19 +/- 0.60   7.497% *  0.1616% (0.28   0.02   4.28) =   0.048%
          HG12  ILE   19 - QB    ALA   64   7.21 +/- 0.34   2.668% *  0.3760% (0.65   0.02   0.02) =   0.040%
          HG    LEU   73 - QB    ALA   64   8.77 +/- 0.31   0.803% *  0.5041% (0.87   0.02   0.17) =   0.016%
          HG    LEU   40 - QB    ALA   64   9.18 +/- 1.02   0.812% *  0.2181% (0.38   0.02   0.02) =   0.007%
          QB    ALA  110 - QB    ALA   64  11.06 +/- 0.29   0.198% *  0.4220% (0.73   0.02   0.02) =   0.003%
          HB3   LEU  115 - QB    ALA   64  10.28 +/- 0.41   0.311% *  0.2181% (0.38   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - QB    ALA   64  12.94 +/- 0.72   0.081% *  0.0897% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  17.85 +/- 0.58   0.011% *  0.4441% (0.76   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    ALA   64  18.01 +/- 0.90   0.011% *  0.4441% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  18.52 +/- 0.41   0.009% *  0.1449% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.914, support = 1.87, residual support = 4.42:
          HB3   LEU   67 - HA    ALA   64   4.22 +/- 0.64  61.022% * 46.1052% (0.99   1.90   4.28) =  83.974%  kept
          HG    LEU   67 - HA    ALA   64   5.06 +/- 0.64  29.006% * 12.3496% (0.28   1.81   4.28) =  10.692%  kept
          QG    LYS+  66 - HA    ALA   64   6.52 +/- 0.39   4.566% * 38.6814% (0.98   1.61   7.04) =   5.271%  kept
          QB    ALA   61 - HA    ALA   64   6.70 +/- 0.06   3.764% *  0.4522% (0.92   0.02   6.76) =   0.051%
          HG12  ILE   19 - HA    ALA   64   9.61 +/- 0.38   0.462% *  0.3169% (0.65   0.02   0.02) =   0.004%
          HG    LEU   40 - HA    ALA   64   9.07 +/- 1.05   0.774% *  0.1838% (0.38   0.02   0.02) =   0.004%
          HG    LEU   73 - HA    ALA   64  10.93 +/- 0.48   0.212% *  0.4249% (0.87   0.02   0.17) =   0.003%
          HB3   LEU  115 - HA    ALA   64  12.37 +/- 0.57   0.093% *  0.1838% (0.38   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ALA   64  14.11 +/- 0.38   0.042% *  0.3557% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   64  13.86 +/- 1.01   0.048% *  0.0756% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  19.69 +/- 0.69   0.006% *  0.3744% (0.76   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  22.72 +/- 1.10   0.003% *  0.3744% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  23.43 +/- 0.57   0.002% *  0.1221% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.48, residual support = 39.3:
        T HB3   PHE   72 - QB    ALA   64   3.04 +/- 0.32  97.310% * 95.0670% (0.76   2.48  39.27) =  99.975%  kept
          HB2   ASP-  44 - QB    ALA   64   6.07 +/- 0.38   1.889% *  0.8691% (0.87   0.02   0.02) =   0.018%
          QG    GLU-  15 - QB    ALA   64   7.78 +/- 0.84   0.544% *  0.9477% (0.95   0.02   0.02) =   0.006%
          QG    GLU-  14 - QB    ALA   64  10.33 +/- 0.75   0.083% *  0.8368% (0.84   0.02   0.02) =   0.001%
          HG12  ILE  119 - QB    ALA   64   9.19 +/- 0.53   0.157% *  0.3418% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - QB    ALA   64  15.93 +/- 1.51   0.006% *  0.8985% (0.90   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  17.96 +/- 0.68   0.003% *  0.6882% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  16.40 +/- 0.63   0.005% *  0.1755% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  17.12 +/- 1.08   0.003% *  0.1755% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.31, residual support = 6.76:
        T HA    ALA   61 - QB    ALA   64   2.92 +/- 0.16  99.237% * 98.4146% (1.00   2.31   6.76) =  99.995%  kept
          HD2   PRO   68 - QB    ALA   64   7.04 +/- 0.48   0.600% *  0.7880% (0.92   0.02   0.02) =   0.005%
          HD3   PRO   58 - QB    ALA   64   9.06 +/- 0.18   0.114% *  0.4155% (0.49   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.85 +/- 0.25   0.039% *  0.2129% (0.25   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  13.94 +/- 0.33   0.009% *  0.1689% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 1.74, residual support = 8.4:
          HA    VAL   18 - QB    ALA   64   3.16 +/- 0.36  99.114% * 92.4906% (0.90   1.74   8.41) =  99.995%  kept
          HA    VAL   70 - QB    ALA   64   7.32 +/- 0.30   0.787% *  0.4882% (0.41   0.02   0.02) =   0.004%
          HA    SER   48 - QB    ALA   64  13.52 +/- 0.42   0.020% *  1.1232% (0.95   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    ALA   64  12.37 +/- 0.29   0.034% *  0.4882% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   64  14.04 +/- 0.48   0.015% *  0.8622% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  15.46 +/- 0.46   0.008% *  1.0300% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  15.19 +/- 0.39   0.009% *  0.8622% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  15.14 +/- 0.38   0.010% *  0.6247% (0.53   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  22.48 +/- 0.51   0.001% *  1.1232% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  22.85 +/- 0.32   0.001% *  0.9074% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.486, support = 1.22, residual support = 1.22:
        T HA    GLN   17 - QB    ALA   64   3.75 +/- 0.30  97.695% * 89.6813% (0.49   1.22   1.22) =  99.928%  kept
        T HA    VAL   42 - QB    ALA   64   7.36 +/- 0.27   1.964% *  2.9514% (0.98   0.02   0.02) =   0.066%
        T HA    PHE   55 - QB    ALA   64  12.17 +/- 0.15   0.092% *  2.0683% (0.69   0.02   0.02) =   0.002%
          HA    THR   46 - QB    ALA   64  11.49 +/- 0.38   0.133% *  1.2378% (0.41   0.02   0.02) =   0.002%
          HA    ALA  110 - QB    ALA   64  12.39 +/- 0.34   0.085% *  1.1301% (0.38   0.02   0.02) =   0.001%
          HA    SER   37 - QB    ALA   64  15.12 +/- 0.65   0.025% *  1.4656% (0.49   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  18.81 +/- 0.46   0.007% *  1.4656% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.41:
          HN    VAL   18 - QB    ALA   64   3.35 +/- 0.39  99.949% * 99.5979% (1.00   2.25   8.41) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  13.54 +/- 0.84   0.033% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  14.51 +/- 0.47   0.018% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 4.91, residual support = 39.3:
        T QD    PHE   72 - QB    ALA   64   2.11 +/- 0.25  97.473% * 99.4147% (0.87   4.91  39.27) =  99.993%  kept
          HZ    PHE   72 - QB    ALA   64   4.17 +/- 0.34   2.521% *  0.2644% (0.57   0.02  39.27) =   0.007%
          QE    PHE   45 - QB    ALA   64  10.81 +/- 0.15   0.007% *  0.3209% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 20.8:
      O   HN    ALA   64 - QB    ALA   64   2.10 +/- 0.06 100.000% *100.0000% (0.57   4.22  20.79) = 100.000%  kept
    Distance limit 3.47 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 = 6.06, residual support = 160.5:
      O   HN    LYS+  65 - HA    LYS+  65   2.84 +/- 0.03  99.994% * 99.9628% (0.71   6.06 160.53) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  14.54 +/- 0.38   0.006% *  0.0372% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.843, support = 0.0193, residual support = 0.0193:
          HN    GLY   16 - HA    LYS+  65   6.93 +/- 0.91  72.881% * 34.8898% (0.87   0.02   0.02) =  96.489%  kept
          HN    SER  117 - HA    LYS+ 121   8.34 +/- 0.36  26.703% *  3.1809% (0.08   0.02   0.02) =   3.223%
          HN    SER  117 - HA    LYS+  65  18.35 +/- 0.33   0.233% * 28.1870% (0.71   0.02   0.02) =   0.249%
          HN    GLY   16 - HA    LYS+ 121  19.54 +/- 0.78   0.164% *  3.9373% (0.10   0.02   0.02) =   0.025%
          HN    SER   82 - HA    LYS+  65  29.59 +/- 0.62   0.013% * 26.7825% (0.67   0.02   0.02) =   0.013%
          HN    SER   82 - HA    LYS+ 121  34.13 +/- 0.87   0.006% *  3.0224% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 20 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.73, residual support = 27.8:
          HN    LYS+  65 - QB    ALA   64   2.60 +/- 0.14 100.000% *100.0000% (0.31   4.73  27.83) = 100.000%  kept
    Distance limit 3.71 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 = 4.05, residual support = 39.3:
          QE    PHE   72 - HA    ALA   64   2.78 +/- 0.13  99.999% * 99.3419% (0.65   4.05  39.27) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  19.04 +/- 0.42   0.001% *  0.6581% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.66, residual support = 3.64:
          HA    ASP-  62 - QB    LYS+  65   2.45 +/- 0.19  99.998% * 97.6670% (0.80   1.66   3.64) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  15.39 +/- 0.40   0.002% *  0.3267% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  20.00 +/- 0.58   0.000% *  0.8307% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  29.19 +/- 0.60   0.000% *  0.9492% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  23.16 +/- 0.48   0.000% *  0.2264% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.61, residual support = 160.5:
      O   HN    LYS+  65 - QB    LYS+  65   2.20 +/- 0.06 100.000% *100.0000% (0.76   6.61 160.53) = 100.000%  kept
    Distance limit 3.19 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 = 0.526, support = 5.97, residual support = 26.5:
          HN    LYS+  66 - QB    LYS+  65   2.91 +/- 0.13  99.658% * 98.7128% (0.53   5.97  26.46) =  99.998%  kept
          QD    PHE   60 - QB    LYS+  65   8.01 +/- 0.10   0.239% *  0.6071% (0.97   0.02   0.02) =   0.001%
          QE    PHE   59 - QB    LYS+  65   9.25 +/- 0.32   0.103% *  0.0851% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  25.13 +/- 0.89   0.000% *  0.5950% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.43, residual support = 160.5:
          HN    LYS+  65 - HG2   LYS+  65   2.99 +/- 0.37 100.000% *100.0000% (0.31   5.43 160.53) = 100.000%  kept
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 160.5:
      O T HA    LYS+  65 - HG3   LYS+  65   2.55 +/- 0.62  97.964% * 92.7091% (0.87   5.27 160.53) =  99.994%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.28 +/- 0.73   1.464% *  0.2404% (0.59   0.02  14.34) =   0.004%
          HA2   GLY   16 - HG3   LYS+  65   6.80 +/- 1.58   0.460% *  0.3245% (0.80   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  33  14.27 +/- 1.76   0.012% *  0.2802% (0.69   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.68 +/- 1.38   0.006% *  0.2265% (0.56   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  15.01 +/- 1.02   0.006% *  0.1817% (0.45   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106  10.71 +/- 0.22   0.038% *  0.0298% (0.07   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  17.52 +/- 1.26   0.002% *  0.3036% (0.75   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  11.98 +/- 0.32   0.021% *  0.0230% (0.06   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.68 +/- 1.13   0.001% *  0.3515% (0.87   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  15.45 +/- 0.29   0.004% *  0.0762% (0.19   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  18.82 +/- 1.60   0.002% *  0.1666% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  18.51 +/- 1.66   0.002% *  0.1010% (0.25   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  18.74 +/- 0.82   0.001% *  0.1168% (0.29   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  17.13 +/- 1.23   0.003% *  0.0446% (0.11   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  17.35 +/- 0.62   0.002% *  0.0548% (0.14   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  22.40 +/- 0.74   0.000% *  0.2784% (0.69   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  20.56 +/- 0.43   0.001% *  0.1475% (0.36   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  24.20 +/- 1.26   0.000% *  0.2641% (0.65   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  21.45 +/- 1.15   0.001% *  0.1479% (0.36   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  21.21 +/- 0.50   0.001% *  0.1475% (0.36   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  24.11 +/- 0.72   0.000% *  0.2861% (0.71   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  19.62 +/- 0.69   0.001% *  0.0710% (0.18   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  19.06 +/- 0.92   0.001% *  0.0578% (0.14   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  22.79 +/- 0.90   0.001% *  0.1362% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  26.79 +/- 0.80   0.000% *  0.2802% (0.69   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  22.20 +/- 0.81   0.001% *  0.0873% (0.22   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  24.23 +/- 1.08   0.000% *  0.1362% (0.34   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.39 +/- 0.87   0.000% *  0.1439% (0.36   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  28.65 +/- 1.09   0.000% *  0.3245% (0.80   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.78 +/- 0.92   0.001% *  0.0613% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  29.19 +/- 1.30   0.000% *  0.2641% (0.65   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  24.78 +/- 0.60   0.000% *  0.1100% (0.27   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  26.26 +/- 1.56   0.000% *  0.1569% (0.39   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.37 +/- 1.00   0.000% *  0.3036% (0.75   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  23.60 +/- 0.32   0.000% *  0.0699% (0.17   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  30.33 +/- 1.22   0.000% *  0.2861% (0.71   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  22.23 +/- 0.40   0.000% *  0.0424% (0.10   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  31.44 +/- 1.02   0.000% *  0.2621% (0.65   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  31.49 +/- 1.04   0.000% *  0.2264% (0.56   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  31.69 +/- 1.10   0.000% *  0.2133% (0.53   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  24.73 +/- 1.61   0.000% *  0.0474% (0.12   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  28.07 +/- 0.84   0.000% *  0.0822% (0.20   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.48 +/- 0.81   0.000% *  0.1356% (0.33   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.78, residual support = 20.3:
          HN    ASP- 105 - HG3   LYS+ 106   4.02 +/- 0.15  98.902% * 91.4294% (0.34   2.78  20.35) =  99.985%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.31 +/- 0.97   1.040% *  1.2765% (0.65   0.02   0.02) =   0.015%
          HN    ASP- 105 - HG3   LYS+  33  18.35 +/- 1.30   0.012% *  1.3546% (0.69   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  65  18.75 +/- 0.33   0.010% *  1.5686% (0.80   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  16.37 +/- 1.16   0.025% *  0.3023% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 106  24.34 +/- 0.92   0.002% *  0.4655% (0.24   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  20.46 +/- 0.31   0.006% *  0.1269% (0.06   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  30.92 +/- 0.97   0.000% *  0.9577% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  30.75 +/- 1.17   0.001% *  0.9025% (0.46   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  32.07 +/- 1.00   0.000% *  1.1091% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  28.50 +/- 0.92   0.001% *  0.2610% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  29.55 +/- 1.10   0.001% *  0.2460% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.06, residual support = 111.9:
      O   HN    LYS+  66 - HA    LYS+  66   2.86 +/- 0.04  99.914% * 98.4869% (0.53   5.06 111.86) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.54 +/- 0.15   0.040% *  0.7136% (0.97   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  10.46 +/- 0.61   0.046% *  0.1001% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  30.88 +/- 0.91   0.000% *  0.6995% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.01, residual support = 111.9:
      O   HN    LYS+  66 - QB    LYS+  66   2.24 +/- 0.10  99.851% * 98.4706% (0.53   5.01 111.86) = 100.000%  kept
          QD    PHE   60 - QB    LYS+  66   8.10 +/- 0.20   0.046% *  0.7213% (0.97   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   7.30 +/- 0.70   0.103% *  0.1011% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  26.62 +/- 0.86   0.000% *  0.7070% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.526, support = 4.56, residual support = 111.8:
          HN    LYS+  66 - QG    LYS+  66   2.95 +/- 0.57  88.175% * 98.1646% (0.53   4.56 111.86) =  99.994%  kept
          HN    LYS+  66 - HG    LEU   67   5.05 +/- 1.14  10.794% *  0.0331% (0.04   0.02  10.27) =   0.004%
          QD    PHE   60 - QG    LYS+  66   8.86 +/- 0.51   0.147% *  0.7892% (0.97   0.02   0.02) =   0.001%
          QE    PHE   59 - QG    LYS+  66   7.84 +/- 0.63   0.360% *  0.1107% (0.14   0.02   0.02) =   0.000%
          QD    PHE   60 - HG    LEU   67   8.70 +/- 0.75   0.204% *  0.0608% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67   8.43 +/- 1.04   0.320% *  0.0085% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  27.29 +/- 1.16   0.000% *  0.7736% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  28.58 +/- 0.88   0.000% *  0.0596% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 4.73, residual support = 111.9:
          HN    LYS+  66 - QD    LYS+  66   3.86 +/- 0.59  96.616% * 98.1322% (0.53   4.73 111.86) =  99.996%  kept
          QD    PHE   60 - QD    LYS+  66   9.95 +/- 0.85   0.343% *  0.7618% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QD    LYS+  66   8.98 +/- 1.22   0.673% *  0.1068% (0.14   0.02   0.02) =   0.001%
          QE    PHE   59 - HD2   LYS+ 121   7.83 +/- 0.78   2.182% *  0.0133% (0.02   0.02   0.02) =   0.000%
          QD    PHE   60 - HD2   LYS+ 121  12.28 +/- 0.56   0.119% *  0.0947% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  13.84 +/- 1.26   0.066% *  0.0516% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  28.46 +/- 1.06   0.001% *  0.7467% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  30.92 +/- 1.28   0.000% *  0.0928% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.478, support = 3.31, residual support = 61.5:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  91.664% * 33.1802% (0.47   2.98  61.51) =  85.100%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.68 +/- 0.25   8.237% * 64.6439% (0.53   5.17  61.51) =  14.899%  kept
          QG    LYS+  66 - HB2   LEU   67   6.20 +/- 0.62   0.063% *  0.2875% (0.61   0.02  10.27) =   0.001%
        T HG    LEU   40 - HB2   LEU   67   7.20 +/- 0.80   0.026% *  0.2875% (0.61   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.86 +/- 0.55   0.006% *  0.1676% (0.35   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  12.13 +/- 0.68   0.001% *  0.3322% (0.70   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  13.15 +/- 0.50   0.001% *  0.2875% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  11.26 +/- 0.40   0.001% *  0.0766% (0.16   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.75 +/- 0.43   0.001% *  0.0957% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  17.88 +/- 0.74   0.000% *  0.3435% (0.72   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.96 +/- 0.99   0.000% *  0.0957% (0.20   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  15.55 +/- 0.44   0.000% *  0.0957% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  24.48 +/- 1.16   0.000% *  0.1063% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 0.701, support = 3.25, residual support = 61.5:
      O T QD1   LEU   67 - HB2   LEU   67   2.25 +/- 0.09  99.679% * 97.5746% (0.70   3.25  61.51) =  99.998%  kept
        T QD2   LEU   40 - HB2   LEU   67   6.35 +/- 0.34   0.213% *  0.6102% (0.71   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LEU   67   7.24 +/- 0.39   0.100% *  0.1921% (0.22   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  12.26 +/- 0.34   0.004% *  0.5583% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  13.79 +/- 0.76   0.002% *  0.4985% (0.58   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  16.12 +/- 0.62   0.001% *  0.4276% (0.50   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  13.73 +/- 0.89   0.002% *  0.1386% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 61.5:
          HA    LEU   67 - QD2   LEU   67   2.14 +/- 0.16 100.000% * 98.8214% (0.53   2.76  61.51) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.69 +/- 0.37   0.000% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 61.5:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.01  97.778% * 95.9790% (0.73   3.29  61.51) =  99.985%  kept
          HB3   LEU   40 - QD1   LEU   67   4.61 +/- 0.64   1.182% *  0.7417% (0.92   0.02   0.02) =   0.009%
        T HG    LEU   40 - QD1   LEU   67   4.76 +/- 0.66   0.980% *  0.4873% (0.61   0.02   0.02) =   0.005%
          QB    ALA  120 - QD1   LEU   67   8.25 +/- 0.34   0.028% *  0.8035% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67   9.42 +/- 0.38   0.012% *  0.4873% (0.61   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  11.02 +/- 0.69   0.005% *  0.8035% (1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  10.59 +/- 0.17   0.006% *  0.2480% (0.31   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67  10.59 +/- 0.73   0.007% *  0.1407% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  13.45 +/- 0.80   0.002% *  0.2003% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  13.76 +/- 0.27   0.001% *  0.1087% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.309, support = 3.25, residual support = 61.5:
      O T HB2   LEU   67 - QD1   LEU   67   2.25 +/- 0.09  99.854% * 90.5499% (0.31   3.25  61.51) =  99.998%  kept
          HG2   PRO   68 - QD1   LEU   67   7.51 +/- 0.21   0.074% *  1.6675% (0.92   0.02  18.27) =   0.001%
          HB    ILE   19 - QD1   LEU   67   9.84 +/- 0.22   0.015% *  1.5670% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   LEU   67   9.29 +/- 0.94   0.026% *  0.5023% (0.28   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  11.29 +/- 0.82   0.008% *  1.4465% (0.80   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  10.83 +/- 0.40   0.009% *  1.2409% (0.69   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   LEU   67  10.49 +/- 0.38   0.010% *  0.5023% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  12.80 +/- 0.47   0.003% *  1.3117% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  13.90 +/- 0.60   0.002% *  0.4022% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  20.31 +/- 0.35   0.000% *  0.8099% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.2, residual support = 61.5:
      O   QD2   LEU   67 - HG    LEU   67   2.12 +/- 0.01  87.546% * 99.3651% (0.87   3.20  61.51) =  99.980%  kept
        T QD1   LEU   40 - HG    LEU   67   4.19 +/- 0.80   2.927% *  0.4345% (0.61   0.02   0.02) =   0.015%
          QD2   LEU   67 - QG    LYS+  66   4.24 +/- 1.08   8.911% *  0.0478% (0.07   0.02  10.27) =   0.005%
          QG2   ILE  119 - QG    LYS+  66   5.09 +/- 0.46   0.549% *  0.0085% (0.01   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG    LEU   67   8.16 +/- 0.89   0.036% *  0.1105% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   7.98 +/- 0.73   0.033% *  0.0335% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.22, support = 0.0197, residual support = 0.0197:
          QD1   LEU  104 - QD1   LEU   67   5.53 +/- 0.76  99.670% * 12.0360% (0.22   0.02   0.02) =  98.694%  kept
          QG2   ILE   89 - QD1   LEU   67  16.18 +/- 0.35   0.241% * 52.9912% (0.98   0.02   0.02) =   1.050%
          QG1   VAL   83 - QD1   LEU   67  19.10 +/- 0.71   0.089% * 34.9728% (0.65   0.02   0.02) =   0.256%
    Distance limit 3.52 A violated in 20 structures by 2.01 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 3.99, residual support = 35.2:
        T HZ    PHE   72 - QD1   LEU   67   1.86 +/- 0.10  99.348% * 99.6584% (0.97   3.99  35.16) =  99.999%  kept
        T QD    PHE   72 - QD1   LEU   67   4.33 +/- 0.09   0.650% *  0.2126% (0.41   0.02  35.16) =   0.001%
          QE    PHE   45 - QD1   LEU   67  11.41 +/- 0.23   0.002% *  0.1290% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 35.2:
          QE    PHE   72 - QD1   LEU   67   2.33 +/- 0.22  99.932% * 99.2525% (0.80   4.00  35.16) = 100.000%  kept
          QD    PHE   95 - QD1   LEU   67   8.10 +/- 0.30   0.067% *  0.1914% (0.31   0.02   0.02) =   0.000%
          HN    ALA   47 - QD1   LEU   67  16.06 +/- 0.30   0.001% *  0.5561% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.549, support = 0.0174, residual support = 0.0174:
          HA    ALA  124 - HG    LEU   67  11.84 +/- 0.59  14.925% * 19.7896% (0.84   0.02   0.02) =  62.100%  kept
          HA    ALA  124 - QG    LYS+  66  10.01 +/- 1.14  43.453% *  1.5234% (0.06   0.02   0.02) =  13.918%  kept
        T HA    LEU  115 - HG    LEU   67  12.60 +/- 0.81  11.104% *  4.6887% (0.20   0.02   0.02) =  10.947%  kept
          HA    GLU-  36 - HG    LEU   67  18.97 +/- 0.95   0.935% * 22.4121% (0.95   0.02   0.02) =   4.404%
        T HA    ARG+  54 - HG    LEU   67  18.50 +/- 1.14   1.144% * 17.2042% (0.73   0.02   0.02) =   4.140%
          HA    LEU  115 - QG    LYS+  66  11.16 +/- 0.65  21.668% *  0.3609% (0.02   0.02   0.02) =   1.644%
          HA    ARG+  54 - QG    LYS+  66  14.61 +/- 0.99   4.995% *  1.3244% (0.06   0.02   0.02) =   1.391%
          HA    ASN   28 - HG    LEU   67  19.28 +/- 0.56   0.809% *  5.2748% (0.22   0.02   0.02) =   0.897%
          HA    LYS+  81 - HG    LEU   67  29.05 +/- 0.87   0.071% * 23.4828% (0.99   0.02   0.02) =   0.352%
          HA    GLU-  36 - QG    LYS+  66  21.98 +/- 0.80   0.360% *  1.7253% (0.07   0.02   0.02) =   0.131%
          HA    LYS+  81 - QG    LYS+  66  27.54 +/- 1.00   0.100% *  1.8077% (0.08   0.02   0.02) =   0.038%
          HA    ASN   28 - QG    LYS+  66  21.32 +/- 0.59   0.435% *  0.4061% (0.02   0.02   0.02) =   0.037%
    Distance limit 4.51 A violated in 20 structures by 4.61 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 4.01, residual support = 61.5:
      O   HA    LEU   67 - HG    LEU   67   2.96 +/- 0.28  96.716% * 96.7127% (0.15   4.01  61.51) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.63 +/- 0.75   3.281% *  0.0371% (0.01   0.02  10.27) =   0.001%
          HA    ASP-  76 - HG    LEU   67  20.09 +/- 0.68   0.001% *  3.0178% (0.97   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  19.16 +/- 0.79   0.002% *  0.2323% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.236, support = 0.0174, residual support = 0.0174:
          QD    PHE   60 - HG    LEU   67   8.70 +/- 0.75  43.842% *  5.4059% (0.18   0.02   0.02) =  65.586%  kept
          QE    PHE   95 - HG    LEU   67  12.82 +/- 0.64   4.106% * 11.5851% (0.38   0.02   0.02) =  13.164%  kept
          HE3   TRP   27 - HG    LEU   67  15.99 +/- 0.60   1.109% * 26.7757% (0.87   0.02   0.02) =   8.220%  kept
          QD    PHE   60 - QG    LYS+  66   8.86 +/- 0.51  38.725% *  0.4162% (0.01   0.02   0.02) =   4.460%
          QD    PHE   55 - HG    LEU   67  17.71 +/- 1.00   0.600% * 24.7171% (0.80   0.02   0.02) =   4.104%
          QE    PHE   95 - QG    LYS+  66  11.63 +/- 0.63   7.740% *  0.8918% (0.03   0.02   0.02) =   1.910%
          QD    PHE   55 - QG    LYS+  66  13.72 +/- 0.67   2.791% *  1.9027% (0.06   0.02   0.02) =   1.469%
          HN    THR   23 - HG    LEU   67  21.49 +/- 0.63   0.184% * 10.5293% (0.34   0.02   0.02) =   0.535%
          HE3   TRP   27 - QG    LYS+  66  17.51 +/- 0.59   0.644% *  2.0612% (0.07   0.02   0.02) =   0.367%
          HN    LYS+  81 - HG    LEU   67  28.58 +/- 0.88   0.034% * 13.8391% (0.45   0.02   0.02) =   0.129%
          HN    THR   23 - QG    LYS+  66  21.63 +/- 0.77   0.179% *  0.8106% (0.03   0.02   0.02) =   0.040%
          HN    LYS+  81 - QG    LYS+  66  27.29 +/- 1.16   0.046% *  1.0653% (0.03   0.02   0.02) =   0.013%
    Distance limit 4.28 A violated in 20 structures by 4.25 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 2.98, residual support = 61.5:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.955% * 89.7861% (0.29   2.98  61.51) =  99.999%  kept
          HG2   PRO   68 - HB3   LEU   67   6.71 +/- 0.10   0.032% *  1.8023% (0.87   0.02  18.27) =   0.001%
          QB    GLU-  15 - HB3   LEU   67   8.76 +/- 1.10   0.009% *  0.5428% (0.26   0.02   0.02) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  10.78 +/- 0.49   0.002% *  1.6936% (0.82   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  10.98 +/- 0.60   0.002% *  0.5428% (0.26   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  16.12 +/- 1.11   0.000% *  1.5634% (0.76   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  15.63 +/- 0.81   0.000% *  1.3411% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.76 +/- 0.63   0.000% *  1.4178% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  19.45 +/- 0.99   0.000% *  0.4347% (0.21   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.95 +/- 0.37   0.000% *  0.8753% (0.42   0.02   0.02) =   0.000%
    Distance limit 2.93 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  19.37 +/- 0.57 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 4.07 A violated in 20 structures by 15.30 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.84, residual support = 61.5:
      O   HN    LEU   67 - HB3   LEU   67   3.52 +/- 0.46  99.948% * 97.7416% (0.54   4.84  61.51) = 100.000%  kept
          HD21  ASN   35 - HB3   LEU   67  17.15 +/- 1.03   0.010% *  0.6190% (0.82   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   LEU   67  13.57 +/- 0.70   0.034% *  0.1412% (0.19   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  19.87 +/- 0.54   0.004% *  0.6994% (0.93   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  19.97 +/- 0.41   0.004% *  0.1589% (0.21   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  26.34 +/- 0.87   0.001% *  0.6399% (0.85   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 61.5:
      O   HA    LEU   67 - HB2   LEU   67   2.95 +/- 0.14  99.998% * 99.3549% (0.38   5.08  61.51) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.50 +/- 0.43   0.002% *  0.6451% (0.63   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 2.96, residual support = 35.2:
          QE    PHE   72 - HB2   LEU   67   2.66 +/- 0.44  99.976% * 98.9921% (0.58   2.96  35.16) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67  11.30 +/- 0.43   0.023% *  0.2581% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  19.51 +/- 0.58   0.001% *  0.7499% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.11, residual support = 61.5:
      O   HN    LEU   67 - HB2   LEU   67   2.76 +/- 0.37  99.974% * 98.4644% (0.70   5.11  61.51) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67  12.86 +/- 0.46   0.012% *  0.2423% (0.44   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  14.20 +/- 0.46   0.007% *  0.0700% (0.13   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  17.61 +/- 1.12   0.002% *  0.1643% (0.30   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  19.24 +/- 0.65   0.001% *  0.3337% (0.61   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  19.45 +/- 0.47   0.001% *  0.2585% (0.47   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.70 +/- 0.70   0.002% *  0.0890% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  25.33 +/- 1.04   0.000% *  0.3779% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 35.2:
        T HZ    PHE   72 - HB2   LEU   67   2.75 +/- 0.47  99.996% * 99.8798% (0.63   2.96  35.16) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  16.07 +/- 0.36   0.004% *  0.1202% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.568, support = 3.97, residual support = 65.6:
      O T HA    VAL   24 - HB    VAL   24   2.81 +/- 0.29  86.387% * 97.9700% (0.57   3.97  65.58) =  99.984%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.95 +/- 0.19  13.607% *  0.0982% (0.11   0.02  36.26) =   0.016%
          HA    LYS+  38 - HB2   PRO   68  16.14 +/- 1.56   0.005% *  0.6865% (0.79   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.26 +/- 0.76   0.001% *  0.5592% (0.64   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  22.79 +/- 0.34   0.000% *  0.6061% (0.70   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  25.75 +/- 0.57   0.000% *  0.0800% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 3.38, residual support = 65.6:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  99.987% * 95.0827% (0.63   3.38  65.58) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  10.91 +/- 0.29   0.005% *  0.4181% (0.47   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.00 +/- 0.35   0.005% *  0.1204% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.43 +/- 0.51   0.001% *  0.4833% (0.54   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  13.90 +/- 0.49   0.001% *  0.1479% (0.17   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.89 +/- 0.47   0.000% *  0.4531% (0.51   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.62 +/- 0.79   0.000% *  0.3691% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.50 +/- 0.60   0.000% *  0.5132% (0.57   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  21.03 +/- 0.83   0.000% *  0.6897% (0.77   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  24.09 +/- 1.17   0.000% *  0.7323% (0.82   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  25.05 +/- 0.99   0.000% *  0.3937% (0.44   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  27.39 +/- 1.17   0.000% *  0.5966% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.317, support = 5.95, residual support = 35.4:
          HN    GLU-  25 - HB    VAL   24   3.18 +/- 0.60  70.511% * 45.2452% (0.31   5.86  39.64) =  68.316%  kept
      O   HN    ASN   69 - HB2   PRO   68   3.85 +/- 0.41  27.744% * 53.3104% (0.34   6.14  26.15) =  31.672%  kept
          HN    ASN   28 - HB    VAL   24   5.94 +/- 0.14   1.705% *  0.3322% (0.66   0.02  13.03) =   0.012%
          HN    ASP-  44 - HB    VAL   24  12.02 +/- 0.70   0.035% *  0.1676% (0.33   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.51 +/- 0.32   0.004% *  0.2057% (0.41   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  21.58 +/- 0.42   0.001% *  0.4078% (0.81   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.97 +/- 0.51   0.000% *  0.1415% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.24 +/- 0.38   0.000% *  0.1895% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.6:
      O   HN    VAL   24 - HB    VAL   24   2.34 +/- 0.17 100.000% * 99.4779% (0.33   4.68  65.58) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  24.88 +/- 0.35   0.000% *  0.5221% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 3.08, residual support = 36.3:
      O   HD3   PRO   68 - HG2   PRO   68   2.64 +/- 0.28  99.997% * 96.9155% (0.57   3.08  36.26) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  16.66 +/- 0.33   0.002% *  0.3665% (0.33   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  20.70 +/- 0.27   0.000% *  0.5755% (0.52   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  22.77 +/- 0.93   0.000% *  0.7381% (0.67   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  23.10 +/- 1.39   0.000% *  0.7513% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  25.89 +/- 0.51   0.000% *  0.6532% (0.60   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 2.95, residual support = 36.3:
      O   HD2   PRO   68 - HG2   PRO   68   2.53 +/- 0.28  99.982% * 98.7969% (0.63   2.95  36.26) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  11.33 +/- 0.31   0.015% *  0.5538% (0.52   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  17.45 +/- 1.38   0.002% *  0.1118% (0.11   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  18.05 +/- 0.35   0.001% *  0.0981% (0.09   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  24.21 +/- 0.34   0.000% *  0.4395% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.768, support = 4.74, residual support = 50.5:
      O   HD3   PRO   68 - HG3   PRO   68   2.54 +/- 0.30  68.184% * 75.1666% (0.84   4.76  36.26) =  88.227%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.94 +/- 0.12  29.870% * 22.8896% (0.27   4.55 157.17) =  11.770%  kept
          QB    PHE   55 - HG2   ARG+  54   6.25 +/- 0.70   1.232% *  0.0770% (0.20   0.02   2.63) =   0.002%
          HB3   CYS   53 - HG2   ARG+  54   5.65 +/- 0.57   0.690% *  0.0988% (0.26   0.02  30.38) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54  11.01 +/- 0.79   0.014% *  0.0874% (0.23   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.25 +/- 0.49   0.010% *  0.0491% (0.13   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  17.60 +/- 0.26   0.001% *  0.1839% (0.49   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.65 +/- 0.28   0.000% *  0.2887% (0.76   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.71 +/- 0.87   0.000% *  0.3702% (0.98   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  24.40 +/- 1.23   0.000% *  0.3769% (1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  26.59 +/- 0.50   0.000% *  0.3276% (0.87   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.48 +/- 0.66   0.000% *  0.0842% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 4.63, residual support = 36.3:
      O   HD2   PRO   68 - HG3   PRO   68   2.66 +/- 0.30  99.689% * 98.9119% (0.92   4.63  36.26) = 100.000%  kept
          HD3   PRO   58 - HG2   ARG+  54   7.36 +/- 0.39   0.277% *  0.0167% (0.04   0.02   0.02) =   0.000%
          HA    ALA   61 - HG3   PRO   68  12.42 +/- 0.31   0.012% *  0.3539% (0.76   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  11.74 +/- 0.66   0.018% *  0.0944% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  16.30 +/- 1.41   0.002% *  0.0714% (0.15   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  24.17 +/- 0.35   0.000% *  0.2809% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  19.17 +/- 0.29   0.001% *  0.0627% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  22.35 +/- 1.15   0.000% *  0.1141% (0.25   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  21.33 +/- 0.56   0.000% *  0.0749% (0.16   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  30.42 +/- 0.53   0.000% *  0.0191% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 5.13, residual support = 36.3:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  99.028% * 98.0894% (0.98   5.13  36.26) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.07 +/- 0.20   0.664% *  0.0272% (0.07   0.02  37.60) =   0.000%
          QB    PHE   55 - HD3   PRO   58   4.71 +/- 0.17   0.268% *  0.0294% (0.08   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   7.59 +/- 0.82   0.021% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   7.63 +/- 0.70   0.018% *  0.0246% (0.06   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  15.29 +/- 0.57   0.000% *  0.3601% (0.92   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  11.03 +/- 0.46   0.002% *  0.0284% (0.07   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  19.72 +/- 0.56   0.000% *  0.3892% (1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  21.79 +/- 1.22   0.000% *  0.3258% (0.84   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  22.70 +/- 1.74   0.000% *  0.2981% (0.76   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  24.47 +/- 0.50   0.000% *  0.3765% (0.97   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  17.21 +/- 0.71   0.000% *  0.0289% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 5.13, residual support = 36.3:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.996% * 99.1066% (0.92   5.13  36.26) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.88 +/- 0.69   0.002% *  0.3198% (0.76   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  11.03 +/- 0.46   0.002% *  0.0104% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.77 +/- 1.16   0.000% *  0.0646% (0.15   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  15.67 +/- 0.51   0.000% *  0.0587% (0.14   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  17.21 +/- 0.71   0.000% *  0.0566% (0.14   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  17.14 +/- 0.24   0.000% *  0.0466% (0.11   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  23.10 +/- 0.34   0.000% *  0.2538% (0.61   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  24.47 +/- 0.50   0.000% *  0.0709% (0.17   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  26.97 +/- 0.49   0.000% *  0.0119% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 5.01, residual support = 18.3:
      O   HA    LEU   67 - HD3   PRO   68   2.35 +/- 0.11  99.975% * 99.1547% (0.53   5.01  18.27) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93   9.51 +/- 0.25   0.025% *  0.1198% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  22.54 +/- 0.55   0.000% *  0.6527% (0.87   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  22.89 +/- 0.45   0.000% *  0.0727% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 18.3:
      O   HA    LEU   67 - HD2   PRO   68   2.38 +/- 0.12  99.996% * 99.1905% (0.53   4.53  18.27) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   58  14.19 +/- 0.43   0.002% *  0.0545% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD2   PRO   68  22.50 +/- 0.38   0.000% *  0.7220% (0.87   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  16.14 +/- 0.17   0.001% *  0.0330% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 59.8:
      O   HD21  ASN   69 - HB2   ASN   69   2.51 +/- 0.35  99.948% * 97.7644% (0.65   3.63  59.76) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69   9.44 +/- 0.60   0.050% *  0.6950% (0.84   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  16.62 +/- 0.28   0.002% *  0.2568% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  35.35 +/- 0.64   0.000% *  0.5716% (0.69   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  34.90 +/- 1.12   0.000% *  0.5047% (0.61   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  31.05 +/- 0.62   0.000% *  0.2075% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 5.44, residual support = 59.8:
      O   HN    ASN   69 - HB2   ASN   69   3.19 +/- 0.42  99.983% * 99.7850% (0.97   5.44  59.76) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  14.87 +/- 0.86   0.015% *  0.0587% (0.15   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  20.66 +/- 0.57   0.002% *  0.1564% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.6, residual support = 59.8:
      O   HD21  ASN   69 - HB3   ASN   69   3.42 +/- 0.35  99.733% * 98.7942% (0.99   3.60  59.76) =  99.999%  kept
          HN    GLN   17 - HB3   ASN   69   9.52 +/- 0.67   0.266% *  0.5432% (0.98   0.02   0.02) =   0.001%
          HN    TRP   87 - HB3   ASN   69  35.13 +/- 0.66   0.000% *  0.5529% (1.00   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  34.66 +/- 1.06   0.000% *  0.1097% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 59.8:
      O   HN    ASN   69 - HB3   ASN   69   3.32 +/- 0.37  99.977% * 99.7627% (0.97   4.93  59.76) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  14.51 +/- 1.07   0.021% *  0.0647% (0.15   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  20.42 +/- 0.63   0.002% *  0.1725% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 3.07, residual support = 59.7:
          HD21  ASN   69 - HA    ASN   69   3.75 +/- 0.09  97.803% * 89.7867% (0.20   3.07  59.76) =  99.974%  kept
          HN    GLN   17 - HA    ASN   69   7.25 +/- 0.68   2.171% *  1.0077% (0.34   0.02   0.02) =   0.025%
          HN    ALA   61 - HA    ASN   69  15.57 +/- 0.15   0.019% *  2.3656% (0.80   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    ASN   69  19.16 +/- 0.24   0.006% *  1.1088% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  29.85 +/- 0.44   0.000% *  2.1453% (0.73   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  33.91 +/- 0.96   0.000% *  2.9282% (0.99   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  34.05 +/- 0.42   0.000% *  0.6577% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 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  15.99 +/- 0.41 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 4.00 A violated in 20 structures by 11.99 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.291, support = 0.0174, residual support = 0.0174:
          QG2   THR   77 - HA    SER   48   6.68 +/- 0.23  53.917% *  3.9121% (0.23   0.02   0.02) =  42.456%  kept
          HG2   LYS+  99 - HA    VAL   70   7.71 +/- 0.52  24.398% *  7.1226% (0.41   0.02   0.02) =  34.978%  kept
          HG2   LYS+  38 - HA    VAL   70  11.07 +/- 1.36   5.348% *  9.1152% (0.53   0.02   0.02) =   9.813%  kept
        T QB    ALA   88 - HB2   SER   82  10.74 +/- 0.36   3.219% *  7.2826% (0.42   0.02   0.02) =   4.718%
          QG2   THR   77 - HB2   SER   82  11.74 +/- 0.57   1.940% *  8.3214% (0.48   0.02   0.02) =   3.249%
          QG2   THR   23 - HB2   SER   82   9.74 +/- 0.98   6.822% *  1.8692% (0.11   0.02   0.02) =   2.567%
          QG2   THR   77 - HA    VAL   70  17.15 +/- 0.28   0.189% * 17.1719% (0.99   0.02   0.02) =   0.655%
          HB2   LEU   31 - HA    VAL   70  13.08 +/- 0.44   0.973% *  2.6732% (0.15   0.02   0.02) =   0.524%
        T QB    ALA   88 - HA    SER   48  14.10 +/- 0.76   0.648% *  3.4238% (0.20   0.02   0.02) =   0.447%
          QG2   THR   23 - HA    SER   48  11.56 +/- 0.82   2.091% *  0.8787% (0.05   0.02   0.02) =   0.370%
          QG2   THR   23 - HA    VAL   70  18.37 +/- 0.59   0.129% *  3.8572% (0.22   0.02   0.02) =   0.100%
          QB    ALA   88 - HA    VAL   70  27.26 +/- 0.50   0.012% * 15.0284% (0.87   0.02   0.02) =   0.036%
          HB2   LEU   31 - HB2   SER   82  19.58 +/- 1.01   0.092% *  1.2954% (0.07   0.02   0.02) =   0.024%
          HG2   LYS+ 111 - HA    VAL   70  22.87 +/- 0.61   0.034% *  3.4286% (0.20   0.02   0.02) =   0.023%
          HG2   LYS+ 111 - HA    SER   48  19.80 +/- 0.61   0.082% *  0.7811% (0.05   0.02   0.02) =   0.013%
          HB2   LEU   31 - HA    SER   48  20.71 +/- 0.55   0.062% *  0.6090% (0.04   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HB2   SER   82  26.54 +/- 1.38   0.014% *  1.6615% (0.10   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HB2   SER   82  31.33 +/- 1.17   0.005% *  4.4171% (0.25   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HB2   SER   82  30.82 +/- 1.18   0.006% *  3.4516% (0.20   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HA    SER   48  27.47 +/- 0.58   0.011% *  1.6227% (0.09   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HA    SER   48  30.28 +/- 1.21   0.006% *  2.0766% (0.12   0.02   0.02) =   0.003%
    Distance limit 3.98 A violated in 20 structures by 2.21 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 4.88, residual support = 31.4:
      O   HN    LEU   71 - HA    VAL   70   2.28 +/- 0.03  99.996% * 99.0133% (0.87   4.88  31.44) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  14.19 +/- 0.55   0.002% *  0.0565% (0.12   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  18.73 +/- 0.28   0.000% *  0.1166% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  21.99 +/- 0.63   0.000% *  0.2276% (0.49   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  16.52 +/- 0.76   0.001% *  0.0266% (0.06   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  20.08 +/- 0.41   0.000% *  0.0633% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  21.43 +/- 0.55   0.000% *  0.0924% (0.20   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  21.43 +/- 0.58   0.000% *  0.0519% (0.11   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  27.35 +/- 0.69   0.000% *  0.1965% (0.42   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  30.06 +/- 1.16   0.000% *  0.1103% (0.24   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  21.46 +/- 0.77   0.000% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  31.67 +/- 0.94   0.000% *  0.0307% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.682, support = 3.75, residual support = 41.8:
        T HZ    PHE   72 - HB    VAL   70   3.94 +/- 0.28  32.151% * 70.9285% (1.00   3.28  41.80) =  54.154%  kept
          QD    PHE   72 - HB    VAL   70   3.48 +/- 0.54  66.856% * 28.8761% (0.31   4.31  41.80) =  45.845%  kept
          QD    PHE   72 - QG    GLN   17   7.34 +/- 0.46   0.838% *  0.0249% (0.06   0.02   0.02) =   0.000%
        T HZ    PHE   72 - QG    GLN   17  10.00 +/- 0.37   0.127% *  0.0804% (0.19   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  13.87 +/- 0.41   0.017% *  0.0760% (0.18   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  15.20 +/- 0.90   0.011% *  0.0141% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 4.19, residual support = 41.8:
          QE    PHE   72 - HB    VAL   70   2.07 +/- 0.45  99.941% * 98.8940% (0.73   4.19  41.80) = 100.000%  kept
          QE    PHE   72 - QG    GLN   17   8.38 +/- 0.37   0.052% *  0.0877% (0.13   0.02   0.02) =   0.000%
          QD    PHE   95 - HB    VAL   70  12.04 +/- 0.45   0.005% *  0.2440% (0.38   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  20.04 +/- 0.58   0.000% *  0.6149% (0.95   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  14.74 +/- 0.56   0.002% *  0.0453% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  17.56 +/- 1.10   0.001% *  0.1142% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.5:
      O   HN    VAL   70 - HB    VAL   70   2.60 +/- 0.13  99.828% * 99.6928% (0.76   4.31  81.48) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   7.94 +/- 0.82   0.171% *  0.0859% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  21.79 +/- 0.47   0.000% *  0.1867% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  18.29 +/- 1.37   0.001% *  0.0347% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 4.85, residual support = 81.5:
          HN    VAL   70 - QG1   VAL   70   2.50 +/- 0.28  99.996% * 98.2842% (0.28   4.85  81.48) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  14.33 +/- 0.58   0.003% *  0.5476% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.48 +/- 0.70   0.001% *  1.1682% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 1.27, residual support = 1.24:
          HN    VAL   42 - QG2   VAL   70   3.12 +/- 0.29  96.481% * 96.2193% (0.52   1.27   1.24) =  99.936%  kept
          HN    LEU   73 - QG2   VAL   70   5.75 +/- 0.21   2.723% *  1.5173% (0.52   0.02   0.02) =   0.044%
          HN    ILE   19 - QG2   VAL   70   7.08 +/- 0.29   0.796% *  2.2635% (0.77   0.02   0.02) =   0.019%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2860 (1.46, 0.19, 63.87 ppm):
    11 chemical-shift based assignments, quality = 0.543, support = 3.99, residual support = 32.8:
        T HB3   LEU   40 - QG2   VAL   70   2.15 +/- 0.67  71.399% * 28.5414% (0.33   3.99  32.80) =  54.463%  kept
        T HG    LEU   40 - QG2   VAL   70   3.21 +/- 0.77  24.504% * 69.5100% (0.80   4.00  32.80) =  45.522%  kept
          HB3   LEU   67 - QG2   VAL   70   3.34 +/- 0.35   3.397% *  0.0968% (0.22   0.02   0.35) =   0.009%
          HG    LEU   67 - QG2   VAL   70   4.50 +/- 0.53   0.647% *  0.3452% (0.79   0.02   0.35) =   0.006%
        T HG    LEU   73 - QG2   VAL   70   7.75 +/- 0.86   0.027% *  0.2253% (0.52   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   8.18 +/- 0.56   0.014% *  0.1561% (0.36   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QG2   VAL   70  11.95 +/- 0.37   0.001% *  0.3475% (0.80   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  11.20 +/- 0.30   0.002% *  0.2253% (0.52   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.36 +/- 0.30   0.006% *  0.0610% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.85 +/- 0.58   0.001% *  0.2661% (0.61   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  13.87 +/- 0.76   0.001% *  0.2253% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.631, support = 4.39, residual support = 41.8:
        T QD    PHE   72 - QG2   VAL   70   2.33 +/- 0.26  90.441% * 55.0627% (0.64   4.39  41.80) =  92.100%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.59 +/- 0.21   9.546% * 44.7474% (0.52   4.42  41.80) =   7.900%  kept
          QE    PHE   45 - QG2   VAL   70  10.22 +/- 0.24   0.013% *  0.1899% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.44, residual support = 41.8:
          QE    PHE   72 - QG2   VAL   70   1.84 +/- 0.10  99.999% * 99.6110% (0.80   4.44  41.80) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  13.29 +/- 0.35   0.001% *  0.1530% (0.27   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  16.19 +/- 0.30   0.000% *  0.2360% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.757, support = 6.14, residual support = 31.4:
          HN    LEU   71 - QG2   VAL   70   2.35 +/- 0.13  99.975% * 99.3549% (0.76   6.14  31.44) = 100.000%  kept
          HN    PHE   60 - QG2   VAL   70  10.07 +/- 0.34   0.017% *  0.0463% (0.11   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   VAL   70  12.30 +/- 0.40   0.005% *  0.0951% (0.22   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  15.93 +/- 0.53   0.001% *  0.3237% (0.76   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  14.48 +/- 0.36   0.002% *  0.1800% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.699, support = 2.59, residual support = 41.8:
        T HZ    PHE   72 - QG1   VAL   70   4.05 +/- 0.63  61.756% * 54.1303% (0.65   2.91  41.80) =  65.809%  kept
          QD    PHE   72 - QG1   VAL   70   4.39 +/- 0.67  38.153% * 45.5205% (0.80   1.98  41.80) =  34.190%  kept
          QE    PHE   45 - QG1   VAL   70  12.28 +/- 0.42   0.090% *  0.3491% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 2.75:
          HA    VAL   41 - HB2   LEU   71   3.62 +/- 0.13  99.949% * 95.8609% (0.92   0.75   2.75) =  99.999%  kept
          HA    HIS  122 - HB2   LEU   71  14.99 +/- 0.37   0.020% *  2.6725% (0.97   0.02   0.02) =   0.001%
          HA    PHE   45 - HB2   LEU   71  14.14 +/- 0.39   0.029% *  1.0393% (0.38   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LEU   71  21.80 +/- 0.45   0.002% *  0.4273% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.69, residual support = 126.7:
      O   HN    LEU   71 - HB2   LEU   71   2.65 +/- 0.24  99.995% * 99.3039% (0.95   5.69 126.71) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  14.99 +/- 0.31   0.004% *  0.0500% (0.14   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  23.13 +/- 0.66   0.000% *  0.3492% (0.95   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  19.54 +/- 0.44   0.001% *  0.1026% (0.28   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  21.81 +/- 0.42   0.000% *  0.1942% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 5.35, residual support = 126.7:
      O   HN    LEU   71 - HB3   LEU   71   2.82 +/- 0.54  99.990% * 99.2599% (0.95   5.35 126.71) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  15.29 +/- 0.49   0.008% *  0.0531% (0.14   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  23.78 +/- 0.53   0.000% *  0.3713% (0.95   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  22.30 +/- 0.36   0.001% *  0.2065% (0.53   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  20.08 +/- 0.43   0.001% *  0.1091% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 4.14, residual support = 126.7:
      O   HB2   LEU   71 - HG    LEU   71   2.49 +/- 0.07  98.196% * 97.0365% (0.97   4.14 126.71) =  99.998%  kept
          HB    VAL   41 - HG    LEU   71   6.88 +/- 1.25   0.355% *  0.2365% (0.49   0.02   2.75) =   0.001%
          HB2   LEU   71 - HG13  ILE   19   5.87 +/- 0.71   0.773% *  0.0672% (0.14   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   6.62 +/- 1.22   0.545% *  0.0339% (0.07   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71   9.51 +/- 1.53   0.059% *  0.2365% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  12.76 +/- 0.76   0.006% *  0.4763% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  13.02 +/- 0.68   0.005% *  0.3338% (0.69   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19   9.76 +/- 1.50   0.042% *  0.0339% (0.07   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  15.16 +/- 0.85   0.002% *  0.4859% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.84 +/- 0.62   0.009% *  0.0683% (0.14   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  15.00 +/- 0.48   0.002% *  0.1657% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.51 +/- 0.42   0.004% *  0.0478% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  22.09 +/- 1.15   0.000% *  0.4485% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.40 +/- 0.92   0.001% *  0.0697% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  20.25 +/- 1.09   0.000% *  0.0750% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.50 +/- 0.85   0.001% *  0.0238% (0.05   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  20.73 +/- 0.86   0.000% *  0.0643% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  25.27 +/- 1.12   0.000% *  0.0750% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.14 +/- 0.84   0.000% *  0.0107% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.40 +/- 0.70   0.000% *  0.0107% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.82, residual support = 126.7:
          HN    LEU   71 - QD2   LEU   71   3.80 +/- 0.06  99.891% * 99.6562% (0.87   5.82 126.71) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  12.11 +/- 0.40   0.099% *  0.0984% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.74 +/- 0.53   0.004% *  0.1920% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  19.26 +/- 0.42   0.006% *  0.0534% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.24, residual support = 18.9:
          HN    PHE   72 - QD2   LEU   71   3.16 +/- 0.17  99.975% * 99.5627% (0.73   5.24  18.87) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  12.69 +/- 0.20   0.025% *  0.4373% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 4.0, residual support = 23.1:
      O   HN    LEU   73 - HA    PHE   72   2.24 +/- 0.04  62.041% * 77.6038% (0.61   4.47  26.08) =  85.488%  kept
          HN    VAL   42 - HA    PHE   72   2.49 +/- 0.29  37.193% * 21.9729% (0.61   1.27   5.83) =  14.511%  kept
          HN    ILE   19 - HA    PHE   72   4.70 +/- 0.21   0.765% *  0.0760% (0.13   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HA    PHE   72  13.51 +/- 0.20   0.001% *  0.3473% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 4.78, residual support = 81.1:
      O   HN    PHE   72 - HA    PHE   72   2.91 +/- 0.01  99.965% * 99.9103% (0.71   4.78  81.14) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  11.02 +/- 0.24   0.035% *  0.0897% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.443, support = 0.0178, residual support = 19.7:
          HG    LEU   73 - HA    PHE   72   5.38 +/- 0.63  64.438% *  6.0849% (0.37   0.02  26.08) =  54.702%  kept
          HG12  ILE   19 - HA    PHE   72   7.30 +/- 0.50  11.012% * 12.0644% (0.74   0.02   0.02) =  18.534%  kept
          HB3   LEU   67 - HA    PHE   72   7.44 +/- 0.34  10.266% * 10.8437% (0.66   0.02  35.16) =  15.530%  kept
          HB3   LYS+  74 - HA    PHE   72   7.90 +/- 0.26   6.791% *  5.1393% (0.31   0.02   0.02) =   4.869%
          QB    ALA   61 - HA    PHE   72   9.71 +/- 0.26   1.982% * 12.0644% (0.74   0.02   0.02) =   3.336%
          QB    LEU   98 - HA    PHE   72   8.58 +/- 0.27   4.227% *  2.4739% (0.15   0.02   0.02) =   1.459%
          QG    LYS+  66 - HA    PHE   72  11.49 +/- 0.51   0.745% *  8.5871% (0.52   0.02   0.02) =   0.892%
          QB    ALA  110 - HA    PHE   72  14.14 +/- 0.23   0.208% * 12.3904% (0.76   0.02   0.02) =   0.360%
          HD3   LYS+ 121 - HA    PHE   72  14.94 +/- 1.06   0.159% *  5.6046% (0.34   0.02   0.02) =   0.124%
          HG    LEU   80 - HA    PHE   72  17.72 +/- 0.97   0.058% * 12.4733% (0.76   0.02   0.02) =   0.102%
          HG2   LYS+ 102 - HA    PHE   72  16.76 +/- 0.65   0.075% *  4.6918% (0.29   0.02   0.02) =   0.049%
          HB2   LEU   80 - HA    PHE   72  18.72 +/- 0.62   0.039% *  7.5823% (0.46   0.02   0.02) =   0.042%
    Distance limit 3.96 A violated in 20 structures by 1.14 A, eliminated.
    Peak unassigned.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.777, support = 0.019, residual support = 24.7:
          QD2   LEU   73 - HB2   PHE   72   4.67 +/- 0.18  84.137% * 25.5964% (0.82   0.02  26.08) =  94.888%  kept
          QG1   VAL   43 - HB2   PHE   72   6.61 +/- 0.54  11.918% *  5.1678% (0.17   0.02   0.02) =   2.714%
          QG1   VAL   41 - HB2   PHE   72   8.33 +/- 0.28   2.667% *  8.9075% (0.28   0.02   0.02) =   1.047%
          QD1   ILE   56 - HB2   PHE   72  10.39 +/- 0.67   0.766% * 25.2013% (0.81   0.02   0.02) =   0.850%
          HG    LEU   31 - HB2   PHE   72  11.34 +/- 0.83   0.458% * 23.4194% (0.75   0.02   0.02) =   0.473%
          HG3   LYS+ 121 - HB2   PHE   72  16.03 +/- 0.72   0.054% * 11.7075% (0.37   0.02   0.02) =   0.028%
    Distance limit 4.14 A violated in 20 structures by 0.53 A, eliminated.
    Peak unassigned.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.48, residual support = 39.3:
        T QB    ALA   64 - HB2   PHE   72   3.23 +/- 0.36  99.978% * 99.8591% (0.84   2.48  39.27) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  13.98 +/- 0.84   0.022% *  0.1409% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.618, support = 4.31, residual support = 21.1:
          QD2   LEU   73 - HB3   PHE   72   4.68 +/- 0.18  13.854% * 93.1344% (0.72   5.61  26.08) =  73.321%  kept
          QG2   VAL   18 - HB3   PHE   72   3.16 +/- 0.78  83.817% *  5.5946% (0.33   0.75   7.40) =  26.647%  kept
          QG1   VAL   43 - HB3   PHE   72   6.86 +/- 0.54   1.458% *  0.2411% (0.53   0.02   0.02) =   0.020%
          QG1   VAL   41 - HB3   PHE   72   8.43 +/- 0.26   0.397% *  0.3183% (0.69   0.02   0.02) =   0.007%
          QG2   THR   46 - HB3   PHE   72   8.81 +/- 0.55   0.296% *  0.1105% (0.24   0.02   0.02) =   0.002%
          HG    LEU   31 - HB3   PHE   72  11.48 +/- 0.96   0.072% *  0.3760% (0.82   0.02   0.02) =   0.002%
          QD1   ILE   56 - HB3   PHE   72  10.59 +/- 0.54   0.105% *  0.2250% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.48, residual support = 39.3:
        T QB    ALA   64 - HB3   PHE   72   3.04 +/- 0.32  99.973% * 99.7537% (0.63   2.48  39.27) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  12.60 +/- 0.82   0.027% *  0.2463% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 1.5, residual support = 7.4:
        T HA    VAL   18 - HB2   PHE   72   2.92 +/- 0.65  99.312% * 89.6965% (0.47   1.50   7.40) =  99.989%  kept
          HA    VAL   70 - HB2   PHE   72   7.86 +/- 0.50   0.354% *  2.0706% (0.82   0.02  41.80) =   0.008%
          HA1   GLY   16 - HB2   PHE   72   8.12 +/- 0.94   0.285% *  0.5873% (0.23   0.02   0.02) =   0.002%
          HA    LYS+  33 - HB2   PHE   72  13.99 +/- 0.58   0.012% *  1.6144% (0.64   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   PHE   72  14.05 +/- 0.93   0.012% *  1.2812% (0.51   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  16.79 +/- 0.64   0.006% *  2.0706% (0.82   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.02 +/- 0.42   0.009% *  1.2812% (0.51   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  15.32 +/- 0.97   0.010% *  0.3699% (0.15   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  23.97 +/- 0.65   0.001% *  1.0282% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.152, support = 2.79, residual support = 7.4:
          HA    VAL   18 - HB3   PHE   72   2.57 +/- 0.53  99.618% * 87.2800% (0.15   2.79   7.40) =  99.990%  kept
          HA1   GLY   16 - HB3   PHE   72   7.75 +/- 0.92   0.175% *  2.5936% (0.63   0.02   0.02) =   0.005%
          HA    VAL   70 - HB3   PHE   72   7.69 +/- 0.48   0.185% *  2.1664% (0.53   0.02  41.80) =   0.005%
          HB2   SER   37 - HB3   PHE   72  13.90 +/- 0.79   0.007% *  3.5010% (0.85   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PHE   72  13.91 +/- 0.40   0.007% *  1.1024% (0.27   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   PHE   72  16.94 +/- 0.50   0.003% *  2.1664% (0.53   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PHE   72  15.03 +/- 0.36   0.005% *  0.7068% (0.17   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  24.25 +/- 0.86   0.000% *  0.4834% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.49, residual support = 81.1:
      O T QD    PHE   72 - HB3   PHE   72   2.57 +/- 0.21  99.200% * 99.4535% (0.87   4.49  81.14) =  99.999%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.780% *  0.1369% (0.27   0.02  81.14) =   0.001%
        T QE    PHE   45 - HB3   PHE   72  10.60 +/- 0.60   0.020% *  0.4096% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.833, support = 3.71, residual support = 81.1:
      O T QD    PHE   72 - HB2   PHE   72   2.53 +/- 0.18  99.283% * 99.3385% (0.83   3.71  81.14) =  99.999%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.695% *  0.1658% (0.26   0.02  81.14) =   0.001%
          QE    PHE   45 - HB2   PHE   72  10.29 +/- 0.78   0.022% *  0.4958% (0.77   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 4.32, residual support = 81.1:
      O   HN    PHE   72 - HB2   PHE   72   2.95 +/- 0.63  99.975% * 99.7234% (0.79   4.32  81.14) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  13.17 +/- 0.54   0.025% *  0.2766% (0.47   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.832, support = 0.019, residual support = 8.53:
          HB2   GLN   30 - HA    LEU   73   6.10 +/- 0.23  58.915% * 10.7462% (0.80   0.02   8.99) =  56.560%  kept
          HG3   GLN   30 - HA    LEU   73   6.81 +/- 0.72  32.209% * 13.3017% (0.99   0.02   8.99) =  38.275%  kept
          HB2   GLN   17 - HA    LEU   73   9.39 +/- 0.42   4.772% *  6.5324% (0.49   0.02   0.02) =   2.785%
          QB    GLU-  15 - HA    LEU   73  10.73 +/- 0.76   2.296% *  6.5324% (0.49   0.02   0.02) =   1.340%
          HB3   PRO   68 - HA    LEU   73  14.10 +/- 0.44   0.401% * 11.6413% (0.87   0.02   0.02) =   0.417%
          HB3   GLU-  25 - HA    LEU   73  13.24 +/- 0.20   0.571% *  4.1422% (0.31   0.02   0.02) =   0.211%
          HB2   PRO   93 - HA    LEU   73  13.65 +/- 0.67   0.494% *  2.9879% (0.22   0.02   0.02) =   0.132%
          HB3   GLU- 100 - HA    LEU   73  17.96 +/- 1.04   0.098% * 11.6413% (0.87   0.02   0.02) =   0.102%
          HB    ILE  119 - HA    LEU   73  18.82 +/- 0.58   0.071% * 10.7462% (0.80   0.02   0.02) =   0.068%
          HB    VAL  108 - HA    LEU   73  19.12 +/- 0.57   0.066% *  7.5980% (0.57   0.02   0.02) =   0.045%
          HB2   ARG+  54 - HA    LEU   73  19.06 +/- 0.40   0.065% *  6.5324% (0.49   0.02   0.02) =   0.038%
          HB2   LYS+ 111 - HA    LEU   73  20.54 +/- 0.51   0.042% *  7.5980% (0.57   0.02   0.02) =   0.029%
    Distance limit 4.20 A violated in 19 structures by 1.44 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.93, residual support = 45.8:
      O   HN    LYS+  74 - HA    LEU   73   2.25 +/- 0.03  99.981% * 98.8376% (0.69   5.93  45.79) = 100.000%  kept
          HN    THR   46 - HA    LEU   73   9.50 +/- 0.23   0.018% *  0.1349% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  20.77 +/- 0.27   0.000% *  0.4842% (1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  23.05 +/- 2.66   0.000% *  0.4684% (0.97   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  15.85 +/- 1.62   0.001% *  0.0749% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.67, residual support = 161.2:
      O   HN    LEU   73 - HA    LEU   73   2.93 +/- 0.00  73.820% * 99.3398% (0.80   6.68 161.29) =  99.974%  kept
          HN    ILE   19 - HA    LEU   73   3.53 +/- 0.20  25.337% *  0.0651% (0.18   0.02   4.00) =   0.022%
          HN    VAL   42 - HA    LEU   73   6.22 +/- 0.26   0.841% *  0.2976% (0.80   0.02   2.37) =   0.003%
          HN    LYS+ 106 - HA    LEU   73  16.46 +/- 0.23   0.002% *  0.2976% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 6.52, residual support = 161.3:
      O   HN    LEU   73 - HB2   LEU   73   2.79 +/- 0.56  98.395% * 98.8906% (0.38   6.52 161.29) =  99.995%  kept
          HN    VAL   42 - HB2   LEU   73   5.60 +/- 0.81   1.599% *  0.3032% (0.38   0.02   2.37) =   0.005%
          HN    LYS+ 106 - HB2   LEU   73  14.76 +/- 0.66   0.006% *  0.8062% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.801, support = 2.44, residual support = 9.21:
          HA    VAL   43 - HB2   LEU   73   3.28 +/- 0.51  99.618% * 98.0139% (0.80   2.44   9.21) =  99.996%  kept
        T HA    HIS   22 - HB2   LEU   73  10.00 +/- 1.19   0.363% *  1.0030% (1.00   0.02   0.02) =   0.004%
          HA    ASN   69 - HB2   LEU   73  14.14 +/- 0.62   0.019% *  0.9831% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.78, residual support = 45.8:
          HN    LYS+  74 - HB3   LEU   73   3.66 +/- 0.50  99.934% * 97.6389% (0.25   5.78  45.79) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  12.82 +/- 0.65   0.059% *  0.5574% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  20.36 +/- 0.36   0.005% *  1.0361% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  25.09 +/- 2.91   0.003% *  0.7676% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.672, support = 4.51, residual support = 157.9:
          HN    LEU   73 - HG    LEU   73   4.01 +/- 0.51  29.735% * 82.2353% (0.80   4.41 161.29) =  82.915%  kept
          HN    ILE   19 - HG12  ILE   19   3.58 +/- 0.23  52.399% *  8.0094% (0.06   6.01 170.04) =  14.231%  kept
          HN    VAL   42 - HG    LEU   40   5.70 +/- 1.24  10.030% *  8.2291% (0.15   2.37   2.07) =   2.799%
          HN    VAL   42 - HG    LEU   73   6.13 +/- 1.24   3.389% *  0.3729% (0.80   0.02   2.37) =   0.043%
          HN    ILE   19 - HG    LEU   73   5.99 +/- 0.63   3.178% *  0.0816% (0.18   0.02   4.00) =   0.009%
          HN    LEU   73 - HG12  ILE   19   7.50 +/- 0.44   0.629% *  0.1218% (0.26   0.02   4.00) =   0.003%
          HN    VAL   42 - HG12  ILE   19   9.21 +/- 0.72   0.191% *  0.1218% (0.26   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   40   9.33 +/- 1.35   0.244% *  0.0695% (0.15   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  10.48 +/- 0.37   0.088% *  0.0695% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  16.26 +/- 1.19   0.006% *  0.3729% (0.80   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.12 +/- 1.26   0.041% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.91 +/- 0.35   0.039% *  0.0103% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  15.52 +/- 0.98   0.008% *  0.0454% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.76 +/- 0.59   0.001% *  0.1218% (0.26   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  18.29 +/- 1.02   0.003% *  0.0454% (0.10   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  16.47 +/- 0.96   0.006% *  0.0103% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  16.57 +/- 0.89   0.006% *  0.0103% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  22.14 +/- 1.70   0.001% *  0.0454% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  17.67 +/- 0.79   0.004% *  0.0099% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  18.59 +/- 1.04   0.003% *  0.0023% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.412, support = 0.019, residual support = 0.019:
          HN    THR   26 - HG    LEU   73   9.32 +/- 0.97   6.668% * 45.1304% (0.84   0.02   0.02) =  37.851%  kept
          HN    LEU   71 - HG    LEU   73   8.02 +/- 0.87  14.890% * 15.0226% (0.28   0.02   0.02) =  28.135%  kept
          HN    LEU   71 - HG    LEU   40   6.11 +/- 1.02  60.418% *  2.8008% (0.05   0.02   0.02) =  21.284%  kept
          HN    LEU   71 - HG12  ILE   19   8.35 +/- 0.86  12.526% *  4.9061% (0.09   0.02   0.02) =   7.730%  kept
          HN    THR   26 - HG    LEU   80   9.72 +/- 0.37   4.261% *  5.4916% (0.10   0.02   0.02) =   2.943%
          HN    THR   26 - HG12  ILE   19  12.09 +/- 0.26   1.078% * 14.7389% (0.27   0.02   0.02) =   1.999%
          HN    THR   26 - HG    LEU   40  20.26 +/- 1.38   0.042% *  8.4139% (0.16   0.02   0.02) =   0.045%
          HN    LEU   71 - HG    LEU   80  21.39 +/- 0.92   0.039% *  1.8280% (0.03   0.02   0.02) =   0.009%
          HN    LEU   71 - HG    LEU  115  19.35 +/- 0.94   0.070% *  0.4165% (0.01   0.02   0.02) =   0.004%
          HN    THR   26 - HG    LEU  115  27.64 +/- 0.90   0.008% *  1.2512% (0.02   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 17 structures by 1.14 A, eliminated.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.79, residual support = 161.3:
          HN    LEU   73 - QD2   LEU   73   2.90 +/- 0.16  92.246% * 98.6714% (0.38   7.79 161.29) =  99.979%  kept
          HN    VAL   42 - QD2   LEU   73   4.46 +/- 0.26   7.348% *  0.2532% (0.38   0.02   2.37) =   0.020%
          HN    LYS+ 106 - HG3   LYS+ 121   7.42 +/- 0.66   0.386% *  0.2296% (0.34   0.02   0.02) =   0.001%
          HN    LYS+ 106 - QD2   LEU   73  13.93 +/- 0.23   0.008% *  0.6732% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  13.68 +/- 0.59   0.009% *  0.0863% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  16.29 +/- 0.62   0.003% *  0.0863% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 6.06, residual support = 45.8:
          HN    LYS+  74 - QD2   LEU   73   3.76 +/- 0.29  99.877% * 96.8949% (0.25   6.06  45.79) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  13.02 +/- 0.17   0.063% *  0.5274% (0.41   0.02   0.02) =   0.000%
          HN    MET   11 - QD2   LEU   73  18.30 +/- 2.41   0.025% *  0.7263% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.44 +/- 0.83   0.024% *  0.3343% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  18.81 +/- 0.27   0.007% *  0.9804% (0.76   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  20.41 +/- 0.61   0.004% *  0.1091% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  26.08 +/- 0.63   0.001% *  0.1799% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  33.78 +/- 1.97   0.000% *  0.2477% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.76, residual support = 176.3:
      O   HN    LYS+  74 - HB2   LYS+  74   2.96 +/- 0.23  99.960% * 97.6341% (0.20   5.76 176.28) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  11.22 +/- 0.25   0.038% *  0.5585% (0.33   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  18.51 +/- 0.47   0.002% *  1.0382% (0.61   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  24.49 +/- 2.37   0.000% *  0.7691% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.406, support = 0.0198, residual support = 26.6:
          HN    VAL   75 - HB3   LYS+  74   4.42 +/- 0.16  99.417% * 23.3279% (0.41   0.02  26.97) =  98.804%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.48 +/- 0.38   0.565% * 49.2209% (0.87   0.02   0.02) =   1.184%
          HN    LYS+ 112 - HB3   LYS+  74  19.70 +/- 0.34   0.013% * 17.5137% (0.31   0.02   0.02) =   0.010%
          HN    MET   11 - HB3   LYS+  74  24.49 +/- 2.64   0.005% *  9.9375% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.13 A violated in 16 structures by 0.29 A, eliminated.
    Peak unassigned.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.65, residual support = 27.0:
          HN    VAL   75 - HG2   LYS+  74   3.54 +/- 0.28  99.524% * 99.5052% (0.84   5.65  26.97) =  99.998%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.73 +/- 0.92   0.461% *  0.4131% (0.98   0.02   0.02) =   0.002%
          HN    VAL   75 - HG3   LYS+ 111  17.20 +/- 0.60   0.009% *  0.0376% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  18.19 +/- 0.74   0.006% *  0.0441% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.335, residual support = 0.335:
          QG1   VAL   75 - HA    THR   77   3.75 +/- 0.63  99.946% * 95.5857% (0.84   0.34   0.34) =  99.997%  kept
          QD1   LEU  115 - HA    THR   77  14.96 +/- 0.82   0.054% *  4.4143% (0.65   0.02   0.02) =   0.003%
    Distance limit 3.91 A violated in 4 structures by 0.21 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.96, residual support = 35.3:
      O   HN    ASP-  78 - HB3   ASP-  78   2.46 +/- 0.48  99.974% * 99.5229% (0.95   3.96  35.31) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.31 +/- 0.45   0.026% *  0.4771% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 4.59, residual support = 35.3:
      O   HN    ASP-  78 - HB2   ASP-  78   2.80 +/- 0.35  99.956% * 99.5882% (0.95   4.59  35.31) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78  10.29 +/- 0.50   0.044% *  0.4118% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 4.16, residual support = 53.6:
      O T HB3   GLU-  79 - HA    GLU-  79   3.05 +/- 0.00  99.963% * 98.5622% (1.00   4.16  53.62) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  12.37 +/- 1.12   0.026% *  0.2876% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  14.93 +/- 0.45   0.007% *  0.1949% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  17.14 +/- 0.55   0.003% *  0.3797% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  22.63 +/- 0.51   0.001% *  0.4700% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  27.94 +/- 0.91   0.000% *  0.1056% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 3.44, residual support = 53.6:
      O   QG    GLU-  79 - HB3   GLU-  79   2.27 +/- 0.08  99.995% * 97.6797% (0.98   3.44  53.62) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  13.07 +/- 0.93   0.003% *  0.2113% (0.36   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  17.65 +/- 1.16   0.001% *  0.4433% (0.76   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  18.07 +/- 1.05   0.000% *  0.1291% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  20.29 +/- 0.63   0.000% *  0.2385% (0.41   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  25.70 +/- 0.81   0.000% *  0.3984% (0.69   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  18.22 +/- 0.73   0.000% *  0.0480% (0.08   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  26.55 +/- 0.55   0.000% *  0.3284% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  23.88 +/- 0.75   0.000% *  0.1220% (0.21   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  27.60 +/- 1.27   0.000% *  0.1647% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  24.97 +/- 0.51   0.000% *  0.0886% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  32.85 +/- 0.50   0.000% *  0.1480% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.979, support = 2.49, residual support = 6.32:
          HB2   ASP-  76 - HB3   GLU-  79   3.72 +/- 0.13  92.953% * 43.0742% (1.00   2.36   5.64) =  92.126%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.90 +/- 0.27   6.121% * 55.8902% (0.76   4.00  14.35) =   7.872%  kept
          HB2   ASP-  78 - HB2   GLN   90   8.86 +/- 1.15   0.721% *  0.1038% (0.28   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HB2   GLN   90  12.25 +/- 1.28   0.090% *  0.1356% (0.37   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB3   GLU-  79  11.64 +/- 0.34   0.103% *  0.0640% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  18.24 +/- 1.21   0.008% *  0.0912% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.35 +/- 0.44   0.001% *  0.3529% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.67 +/- 0.57   0.001% *  0.0724% (0.20   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  23.37 +/- 0.56   0.002% *  0.0238% (0.07   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  33.94 +/- 0.70   0.000% *  0.1311% (0.36   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  28.00 +/- 1.25   0.001% *  0.0339% (0.09   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  27.16 +/- 0.81   0.001% *  0.0269% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 53.6:
      O T HA    GLU-  79 - HB3   GLU-  79   3.05 +/- 0.00  98.116% * 96.2036% (0.80   4.16  53.62) =  99.998%  kept
          HB    THR   77 - HB3   GLU-  79   6.99 +/- 0.06   0.675% *  0.1784% (0.31   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   GLN   90   7.21 +/- 0.69   0.676% *  0.0663% (0.11   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90   9.96 +/- 1.40   0.123% *  0.2032% (0.35   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   8.23 +/- 0.71   0.304% *  0.0663% (0.11   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  11.44 +/- 0.38   0.036% *  0.1784% (0.31   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  12.37 +/- 1.12   0.025% *  0.1720% (0.30   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.07 +/- 0.45   0.026% *  0.1441% (0.25   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  15.99 +/- 0.53   0.005% *  0.5665% (0.98   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  16.78 +/- 0.74   0.004% *  0.5468% (0.95   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  16.95 +/- 0.74   0.003% *  0.2105% (0.36   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.63 +/- 0.86   0.001% *  0.2376% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  16.10 +/- 0.56   0.005% *  0.0536% (0.09   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  23.91 +/- 0.58   0.000% *  0.5014% (0.87   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.09 +/- 0.61   0.000% *  0.1607% (0.28   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  25.71 +/- 0.60   0.000% *  0.0883% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  31.28 +/- 2.91   0.000% *  0.1287% (0.22   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  32.13 +/- 0.51   0.000% *  0.1863% (0.32   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  27.08 +/- 0.68   0.000% *  0.0597% (0.10   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  41.24 +/- 2.82   0.000% *  0.0478% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 95.3:
      O T HA    GLN   90 - HB2   GLN   90   2.60 +/- 0.21  97.300% * 92.1863% (0.27   3.96  95.33) =  99.990%  kept
          HA    ALA   91 - HB2   GLN   90   5.06 +/- 0.51   2.605% *  0.3120% (0.18   0.02  32.93) =   0.009%
        T HA    GLN   90 - HB3   GLU-  79  10.48 +/- 0.73   0.026% *  1.2526% (0.73   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  10.87 +/- 2.17   0.032% *  0.8397% (0.49   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79  10.28 +/- 0.23   0.028% *  0.4796% (0.28   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.37 +/- 0.61   0.004% *  0.5354% (0.31   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  17.45 +/- 0.44   0.001% *  1.4409% (0.84   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  19.66 +/- 0.93   0.001% *  1.1159% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  17.67 +/- 0.80   0.001% *  0.3372% (0.20   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  20.85 +/- 0.35   0.000% *  0.9076% (0.53   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  19.10 +/- 0.64   0.001% *  0.4146% (0.24   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  21.90 +/- 0.62   0.000% *  0.1782% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.998, support = 2.17, residual support = 5.63:
          HB2   ASP-  76 - HB2   GLU-  79   2.12 +/- 0.24  99.369% * 97.8722% (1.00   2.17   5.64) =  99.996%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.24 +/- 0.41   0.628% *  0.6915% (0.76   0.02  14.35) =   0.004%
          HB2   ASN   28 - HB2   GLU-  79  12.41 +/- 0.41   0.003% *  0.1585% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  18.09 +/- 1.17   0.000% *  0.2256% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  25.81 +/- 0.49   0.000% *  0.8732% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  23.84 +/- 0.68   0.000% *  0.1791% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.44, residual support = 49.4:
          HN    LEU   80 - HB2   GLU-  79   3.69 +/- 0.06  99.754% * 98.5345% (0.61   5.44  49.40) =  99.999%  kept
          HN    SER   85 - HB2   GLU-  79  10.43 +/- 0.27   0.197% *  0.2905% (0.49   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   GLU-  79  14.26 +/- 0.48   0.031% *  0.2240% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  16.86 +/- 0.41   0.011% *  0.5177% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  18.35 +/- 0.31   0.007% *  0.4334% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 1 structures by 0.01 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.6, residual support = 49.4:
          HN    LEU   80 - HB3   GLU-  79   2.39 +/- 0.09  99.916% * 97.9281% (0.61   5.60  49.40) = 100.000%  kept
          HN    SER   85 - HB3   GLU-  79   9.35 +/- 0.34   0.028% *  0.2807% (0.49   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   GLN   90   9.71 +/- 0.78   0.029% *  0.1043% (0.18   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  11.31 +/- 0.87   0.010% *  0.1299% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  10.94 +/- 0.87   0.013% *  0.0804% (0.14   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.45 +/- 0.35   0.001% *  0.5001% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  15.25 +/- 0.41   0.002% *  0.2164% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  18.23 +/- 0.24   0.001% *  0.4187% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  27.55 +/- 0.61   0.000% *  0.1858% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  28.54 +/- 0.57   0.000% *  0.1556% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.67, residual support = 95.3:
      O   HN    GLN   90 - HB2   GLN   90   3.40 +/- 0.50  99.697% * 95.3040% (0.23   5.67  95.33) =  99.998%  kept
          HN    GLN   90 - HB3   GLU-  79  11.67 +/- 0.58   0.080% *  0.9052% (0.61   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB3   GLU-  79  10.62 +/- 0.77   0.164% *  0.2303% (0.15   0.02   0.02) =   0.000%
          HN    GLY  109 - HB2   GLN   90  13.10 +/- 0.60   0.041% *  0.4973% (0.33   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  15.57 +/- 0.93   0.013% *  1.3385% (0.90   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  22.28 +/- 0.99   0.001% *  1.1951% (0.80   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  19.38 +/- 1.74   0.004% *  0.0856% (0.06   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  27.16 +/- 0.73   0.001% *  0.4440% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.21, residual support = 49.4:
          HN    LEU   80 - QG    GLU-  79   3.69 +/- 0.10  99.581% * 98.4702% (0.61   5.21  49.40) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79   9.47 +/- 0.24   0.351% *  0.3032% (0.49   0.02   0.02) =   0.001%
          HN    GLN   32 - QG    GLU-  79  14.26 +/- 0.43   0.030% *  0.5404% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  16.03 +/- 0.37   0.015% *  0.4524% (0.73   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  14.99 +/- 0.42   0.022% *  0.2338% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.57, residual support = 49.4:
      O   HN    LEU   80 - HA    GLU-  79   3.63 +/- 0.01  99.645% * 97.2271% (0.28   5.57  49.40) =  99.996%  kept
          HN    SER   85 - HA    GLU-  79   9.35 +/- 0.19   0.346% *  1.0488% (0.84   0.02   0.02) =   0.004%
          HN    GLN   32 - HA    GLU-  79  18.77 +/- 0.51   0.005% *  1.2529% (1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  20.52 +/- 0.37   0.003% *  0.4713% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.46, support = 4.53, residual support = 83.0:
      O   HG    LEU   80 - QD2   LEU   80   2.12 +/- 0.02  91.598% * 23.4418% (0.34   4.29  83.03) =  77.462%  kept
      O   HB2   LEU   80 - QD2   LEU   80   3.18 +/- 0.14   8.383% * 74.5267% (0.87   5.36  83.03) =  22.537%  kept
          HB3   LYS+  74 - QD2   LEU   80  10.60 +/- 0.83   0.007% *  0.3143% (0.98   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD2   LEU   80  10.41 +/- 0.83   0.007% *  0.0800% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  14.45 +/- 0.85   0.001% *  0.3094% (0.97   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  14.60 +/- 0.62   0.001% *  0.1438% (0.45   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.35 +/- 0.98   0.001% *  0.1203% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  15.67 +/- 0.90   0.001% *  0.0990% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  16.70 +/- 0.71   0.000% *  0.1203% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  20.36 +/- 2.32   0.000% *  0.2450% (0.76   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  15.80 +/- 0.93   0.001% *  0.0635% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  23.57 +/- 1.31   0.000% *  0.3094% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  21.04 +/- 1.38   0.000% *  0.0990% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  21.90 +/- 1.41   0.000% *  0.0714% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  22.58 +/- 1.18   0.000% *  0.0562% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.867, support = 6.14, residual support = 83.0:
          HA    LEU   80 - QD2   LEU   80   2.08 +/- 0.35  96.026% * 98.8986% (0.87   6.14  83.03) =  99.985%  kept
          HA    THR   23 - QD2   LEU   80   4.21 +/- 0.35   3.195% *  0.3680% (0.99   0.02   0.02) =   0.012%
          HA    ASP-  78 - QD2   LEU   80   6.41 +/- 0.52   0.406% *  0.2973% (0.80   0.02   4.96) =   0.001%
          HB    THR   23 - QD2   LEU   80   5.59 +/- 0.38   0.373% *  0.2696% (0.73   0.02   0.02) =   0.001%
          HA    ASP- 105 - QD2   LEU   80  20.29 +/- 1.13   0.000% *  0.1665% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 6.0, residual support = 37.7:
          HN    LYS+  81 - QD2   LEU   80   3.89 +/- 0.12  93.227% * 97.5868% (0.38   6.00  37.73) =  99.969%  kept
          HN    THR   23 - QD2   LEU   80   6.36 +/- 0.44   5.811% *  0.3562% (0.41   0.02   0.02) =   0.023%
          HE3   TRP   27 - QD2   LEU   80   8.68 +/- 0.60   0.914% *  0.7998% (0.92   0.02   0.02) =   0.008%
          QE    PHE   95 - QD2   LEU   80  14.86 +/- 1.17   0.037% *  0.3884% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   80  19.03 +/- 1.02   0.008% *  0.7515% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  21.27 +/- 0.99   0.004% *  0.1173% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 2 structures by 0.02 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 0.75, residual support = 2.25:
          HN    VAL   24 - QD2   LEU   80   3.51 +/- 0.10  99.967% * 98.1128% (0.31   0.75   2.25) =  99.999%  kept
          HN    VAL   43 - QD2   LEU   80  13.65 +/- 0.95   0.033% *  1.8872% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.243, support = 4.7, residual support = 37.7:
          HN    LYS+  81 - QD1   LEU   80   3.44 +/- 0.07  97.942% * 95.0506% (0.24   4.70  37.73) =  99.988%  kept
          HE3   TRP   27 - QD2   LEU   98   7.46 +/- 1.02   1.296% *  0.5697% (0.34   0.02   0.02) =   0.008%
          HE3   TRP   27 - QD1   LEU   80  10.65 +/- 1.14   0.182% *  0.9939% (0.60   0.02   0.02) =   0.002%
          HN    THR   23 - QD1   LEU   80   8.87 +/- 0.63   0.385% *  0.4426% (0.27   0.02   0.02) =   0.002%
          QE    PHE   95 - QD2   LEU   98  11.33 +/- 0.90   0.087% *  0.2767% (0.17   0.02   0.02) =   0.000%
          QE    PHE   95 - QD1   LEU   80  15.40 +/- 2.06   0.021% *  0.4827% (0.29   0.02   0.02) =   0.000%
          HN    THR   23 - QD2   LEU   98  13.03 +/- 0.90   0.036% *  0.2537% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  19.51 +/- 1.85   0.004% *  0.9339% (0.56   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.13 +/- 0.86   0.035% *  0.0835% (0.05   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.89 +/- 1.06   0.005% *  0.5353% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  17.49 +/- 0.97   0.006% *  0.2316% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  23.02 +/- 1.79   0.001% *  0.1457% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.61, residual support = 108.3:
          HN    LYS+  81 - QG    LYS+  81   3.00 +/- 0.27  99.881% * 98.7302% (0.87   5.61 108.32) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33  11.00 +/- 0.98   0.060% *  0.0871% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  14.21 +/- 0.34   0.010% *  0.1819% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  15.90 +/- 0.87   0.006% *  0.2135% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  12.72 +/- 0.43   0.020% *  0.0470% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  15.25 +/- 1.24   0.008% *  0.1022% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.17 +/- 1.11   0.003% *  0.1523% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  16.46 +/- 0.91   0.005% *  0.0400% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  23.72 +/- 0.80   0.000% *  0.1685% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  18.22 +/- 0.67   0.002% *  0.0335% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  18.17 +/- 1.42   0.003% *  0.0263% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  24.86 +/- 1.47   0.000% *  0.0775% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  19.14 +/- 0.58   0.002% *  0.0121% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  25.20 +/- 0.88   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.87 +/- 1.13   0.000% *  0.0729% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.0199, residual support = 0.0199:
          HN    GLU-  79 - QG    LYS+  81   5.19 +/- 0.25  97.837% * 29.1271% (0.65   0.02   0.02) =  99.454%  kept
          HN    VAL   70 - HG2   LYS+  33  11.69 +/- 1.48   1.048% *  8.8625% (0.20   0.02   0.02) =   0.324%
          HN    THR   94 - QG    LYS+  81  13.64 +/- 1.20   0.341% * 11.2272% (0.25   0.02   0.02) =   0.133%
          HN    THR   94 - HG2   LYS+ 106  12.07 +/- 0.34   0.649% *  2.4703% (0.05   0.02   0.02) =   0.056%
          HN    GLU-  79 - HG2   LYS+  33  20.82 +/- 0.82   0.025% * 13.9455% (0.31   0.02   0.02) =   0.012%
          HN    VAL   70 - HG2   LYS+ 106  18.70 +/- 0.39   0.047% *  4.0728% (0.09   0.02   0.02) =   0.007%
          HN    THR   94 - HG2   LYS+  33  20.87 +/- 1.35   0.025% *  5.3754% (0.12   0.02   0.02) =   0.005%
          HN    GLU-  79 - HG2   LYS+ 106  21.61 +/- 0.77   0.020% *  6.4088% (0.14   0.02   0.02) =   0.005%
          HN    VAL   70 - QG    LYS+  81  25.67 +/- 0.62   0.007% * 18.5105% (0.41   0.02   0.02) =   0.004%
    Distance limit 4.28 A violated in 20 structures by 0.91 A, eliminated.
    Peak unassigned.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.38, residual support = 108.3:
      O   HN    LYS+  81 - QB    LYS+  81   2.09 +/- 0.10  99.354% * 96.9759% (0.38   5.38 108.32) =  99.999%  kept
          QD    PHE   55 - HB3   PRO   52   5.04 +/- 0.22   0.578% *  0.0956% (0.10   0.02   1.23) =   0.001%
          QE    PHE   95 - HB3   PRO   52   7.52 +/- 0.67   0.064% *  0.0494% (0.05   0.02   0.02) =   0.000%
          HN    THR   23 - QB    LYS+  81  11.89 +/- 0.41   0.003% *  0.3949% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  14.87 +/- 0.47   0.001% *  0.8868% (0.92   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  17.34 +/- 1.18   0.000% *  0.4307% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  19.98 +/- 1.16   0.000% *  0.8333% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  19.59 +/- 0.74   0.000% *  0.1017% (0.11   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  19.93 +/- 1.27   0.000% *  0.0414% (0.04   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  22.00 +/- 0.83   0.000% *  0.0453% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  26.71 +/- 0.98   0.000% *  0.1300% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  20.93 +/- 0.47   0.000% *  0.0149% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.46, residual support = 108.3:
      O   HN    LYS+  81 - HA    LYS+  81   2.81 +/- 0.04  99.994% * 99.3765% (0.87   5.46 108.32) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  15.44 +/- 0.40   0.004% *  0.1882% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  17.96 +/- 0.72   0.001% *  0.2209% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  20.97 +/- 0.89   0.001% *  0.1576% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  28.60 +/- 0.75   0.000% *  0.0568% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.667, support = 2.53, residual support = 19.6:
          HA    LEU   80 - QG    LYS+  81   4.95 +/- 0.48  13.030% * 85.1824% (0.38   4.66  37.73) =  51.697%  kept
          HA    ASP-  78 - QG    LYS+  81   3.19 +/- 0.69  86.664% * 11.9649% (0.98   0.25   0.18) =  48.297%  kept
          HA    THR   23 - QG    LYS+  81   9.92 +/- 0.59   0.155% *  0.7438% (0.76   0.02   0.02) =   0.005%
          HB    THR   23 - QG    LYS+  81  11.82 +/- 0.91   0.060% *  0.2427% (0.25   0.02   0.02) =   0.001%
          HA    PHE   45 - QG    LYS+  81  11.25 +/- 0.81   0.051% *  0.1502% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  15.69 +/- 0.73   0.008% *  0.3561% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  14.85 +/- 0.89   0.013% *  0.1162% (0.12   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  14.99 +/- 0.33   0.011% *  0.0330% (0.03   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  24.03 +/- 0.81   0.001% *  0.4567% (0.47   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  17.81 +/- 1.18   0.004% *  0.0719% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  22.36 +/- 0.73   0.001% *  0.2099% (0.22   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  21.80 +/- 0.73   0.001% *  0.1749% (0.18   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  23.37 +/- 1.10   0.001% *  0.1636% (0.17   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  23.72 +/- 1.49   0.001% *  0.0804% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  24.80 +/- 1.03   0.001% *  0.0534% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 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 = 3.7, residual support = 34.8:
      O   HN    SER   82 - HB3   SER   82   2.52 +/- 0.36 100.000% * 97.4842% (0.41   3.70  34.85) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  29.39 +/- 0.69   0.000% *  1.2579% (0.98   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  32.20 +/- 1.20   0.000% *  1.2579% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.325, support = 3.67, residual support = 15.7:
      O   HN    TRP   49 - HA    SER   48   3.53 +/- 0.05  31.094% * 52.0288% (0.40   3.83  14.47) =  47.797%  kept
          HN    VAL   83 - HB2   SER   82   3.37 +/- 0.28  43.283% * 33.1380% (0.24   4.10  20.67) =  42.377%  kept
          HN    CYS   50 - HA    SER   48   3.68 +/- 0.21  25.578% * 13.0031% (0.36   1.06   0.10) =   9.826%  kept
          HN    TRP   49 - HB2   SER   82  15.73 +/- 1.34   0.005% *  0.4950% (0.72   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    VAL   70  11.98 +/- 0.99   0.026% *  0.0767% (0.11   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  17.56 +/- 1.18   0.002% *  0.4449% (0.65   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  14.75 +/- 1.11   0.007% *  0.0887% (0.13   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  15.77 +/- 0.86   0.004% *  0.1213% (0.18   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  19.01 +/- 1.00   0.001% *  0.2210% (0.32   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  24.45 +/- 0.56   0.000% *  0.1545% (0.23   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  25.53 +/- 0.45   0.000% *  0.1719% (0.25   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  27.47 +/- 0.56   0.000% *  0.0561% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 4.31, residual support = 34.8:
      O   HN    SER   82 - HB2   SER   82   2.73 +/- 0.59  98.213% * 95.5895% (0.39   4.31  34.85) =  99.993%  kept
          HN    GLY   16 - HA    VAL   70   6.82 +/- 1.06   1.771% *  0.3674% (0.32   0.02   0.02) =   0.007%
          HN    SER   82 - HA    SER   48  13.74 +/- 1.40   0.014% *  0.2437% (0.21   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  19.70 +/- 0.44   0.001% *  0.3674% (0.32   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  21.55 +/- 0.78   0.001% *  0.5810% (0.51   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  23.56 +/- 0.69   0.000% *  0.5810% (0.51   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  30.06 +/- 0.65   0.000% *  1.0581% (0.93   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  32.91 +/- 1.11   0.000% *  1.0581% (0.93   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  28.18 +/- 0.51   0.000% *  0.1541% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.3, residual support = 42.0:
          HN    ALA   84 - HB    VAL   83   2.95 +/- 0.17  99.998% * 98.8068% (0.44   5.30  42.01) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  23.01 +/- 2.15   0.001% *  0.6866% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  20.96 +/- 1.38   0.001% *  0.3726% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  21.70 +/- 0.82   0.001% *  0.1341% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.81, residual support = 87.4:
      O   HN    VAL   83 - HB    VAL   83   2.38 +/- 0.28  99.996% * 99.2728% (0.65   4.81  87.42) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  15.70 +/- 0.64   0.001% *  0.5690% (0.90   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  14.38 +/- 0.67   0.003% *  0.1582% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.913, support = 0.019, residual support = 0.019:
          HZ2   TRP   87 - HA    ALA   84   9.00 +/- 0.44  92.534% * 31.7530% (0.96   0.02   0.02) =  94.824%  kept
          HD21  ASN   28 - HA    ALA   84  16.01 +/- 0.82   3.154% * 30.7120% (0.93   0.02   0.02) =   3.126%
          QE    PHE   60 - HA    ALA   84  15.96 +/- 0.41   3.129% * 16.7431% (0.51   0.02   0.02) =   1.691%
          HN    ILE   56 - HA    ALA   84  19.41 +/- 0.56   0.972% *  8.8482% (0.27   0.02   0.02) =   0.277%
          HN    LEU   63 - HA    ALA   84  24.97 +/- 0.32   0.211% * 11.9438% (0.36   0.02   0.02) =   0.081%
    Distance limit 3.97 A violated in 20 structures by 5.03 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.793, support = 0.0197, residual support = 0.0197:
          QE    PHE   45 - HA    ALA   84   9.57 +/- 0.43  98.420% * 37.7702% (0.81   0.02   0.02) =  98.404%  kept
          QD    PHE   72 - HA    ALA   84  19.91 +/- 0.32   1.235% * 43.6396% (0.93   0.02   0.02) =   1.427%
          HZ    PHE   72 - HA    ALA   84  24.63 +/- 0.41   0.345% * 18.5902% (0.40   0.02   0.02) =   0.170%
    Distance limit 4.57 A violated in 20 structures by 5.00 A, eliminated.
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.35, residual support = 14.0:
          HB    ILE   89 - HA    ALA   84   2.28 +/- 0.29  99.999% * 98.4338% (0.91   1.35  13.96) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  16.35 +/- 0.55   0.001% *  0.6921% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  26.42 +/- 0.51   0.000% *  0.8740% (0.55   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.736, support = 3.35, residual support = 33.1:
          QG2   VAL   83 - HA    ALA   84   3.52 +/- 0.16  70.232% * 47.4522% (0.66   3.56  42.01) =  68.105%  kept
          QD1   ILE   89 - HA    ALA   84   4.10 +/- 0.27  29.757% * 52.4509% (0.89   2.93  13.96) =  31.895%  kept
          QD2   LEU   31 - HA    ALA   84  15.18 +/- 0.66   0.011% *  0.0969% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 2.77, residual support = 14.0:
          HG13  ILE   89 - HA    ALA   84   2.64 +/- 0.31 100.000% *100.0000% (0.55   2.77  13.96) = 100.000%  kept
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.769, support = 3.59, residual support = 28.9:
          QG2   VAL   83 - QB    ALA   84   4.09 +/- 0.32  60.929% * 42.1896% (0.66   3.56  42.01) =  53.316%  kept
          QD1   ILE   89 - QB    ALA   84   4.41 +/- 0.32  38.992% * 57.7243% (0.89   3.62  13.96) =  46.683%  kept
        T QD2   LEU   31 - QB    ALA   84  12.42 +/- 0.43   0.079% *  0.0861% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.84, residual support = 14.0:
          HG13  ILE   89 - QB    ALA   84   3.57 +/- 0.54 100.000% *100.0000% (0.55   3.84  13.96) = 100.000%  kept
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.02, residual support = 0.02:
          QD    PHE   45 - QB    ALA   84   7.30 +/- 0.34  99.809% * 73.1356% (0.87   0.02   0.02) =  99.964%  kept
          HD2   HIS  122 - QB    ALA   84  22.04 +/- 0.54   0.134% * 14.2817% (0.17   0.02   0.02) =   0.026%
          HE22  GLN  116 - QB    ALA   84  25.39 +/- 0.67   0.057% * 12.5826% (0.15   0.02   0.02) =   0.010%
    Distance limit 4.47 A violated in 20 structures by 2.83 A, eliminated.
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.602, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84   8.37 +/- 0.65  96.625% * 28.9138% (0.59   0.02   0.02) =  94.820%  kept
          HE22  GLN   30 - QB    ALA   84  14.91 +/- 0.92   3.249% * 46.0056% (0.93   0.02   0.02) =   5.073%  kept
          HD22  ASN   69 - QB    ALA   84  25.74 +/- 0.57   0.126% * 25.0806% (0.51   0.02   0.02) =   0.107%
    Distance limit 4.71 A violated in 20 structures by 3.61 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 = 16.0:
      O   HN    SER   85 - QB    SER   85   2.18 +/- 0.05  99.986% * 98.6329% (0.99   3.15  16.04) = 100.000%  kept
          HN    SER   85 - QB    SER   48  11.34 +/- 1.37   0.007% *  0.1527% (0.24   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.82 +/- 0.25   0.004% *  0.0343% (0.05   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  16.20 +/- 0.59   0.001% *  0.1407% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  23.07 +/- 0.53   0.000% *  0.5481% (0.87   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  13.76 +/- 0.38   0.002% *  0.0217% (0.03   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  20.50 +/- 0.54   0.000% *  0.1336% (0.21   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  25.22 +/- 0.39   0.000% *  0.1107% (0.18   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  25.18 +/- 0.62   0.000% *  0.0846% (0.13   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  21.17 +/- 0.53   0.000% *  0.0270% (0.04   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  27.40 +/- 0.96   0.000% *  0.0966% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  23.02 +/- 0.62   0.000% *  0.0171% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 13.3:
          HN    ASP-  86 - QB    SER   85   2.90 +/- 0.12  99.933% * 97.6189% (0.87   3.33  13.31) = 100.000%  kept
          HN    ASP-  86 - QB    SER   48  13.45 +/- 1.32   0.012% *  0.1429% (0.21   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   85  19.86 +/- 0.43   0.001% *  0.6621% (0.98   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.76 +/- 0.45   0.040% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  17.25 +/- 0.50   0.002% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  21.18 +/- 0.31   0.001% *  0.5409% (0.80   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  17.31 +/- 0.54   0.002% *  0.1319% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  15.21 +/- 1.01   0.006% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  24.90 +/- 0.65   0.000% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  25.15 +/- 0.49   0.000% *  0.0835% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  26.66 +/- 0.54   0.000% *  0.1022% (0.15   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  23.49 +/- 1.97   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  21.48 +/- 0.65   0.001% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.81 +/- 0.41   0.001% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  27.85 +/- 1.17   0.000% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  27.86 +/- 1.03   0.000% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  31.95 +/- 1.92   0.000% *  0.1504% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  27.87 +/- 0.94   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 2.63, residual support = 15.0:
      O   HN    SER  117 - QB    SER  117   2.23 +/- 0.08 100.000% * 90.0985% (0.12   2.63  15.02) = 100.000%  kept
          HN    GLY   16 - QB    SER   48  20.46 +/- 1.00   0.000% *  0.7647% (0.14   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   85  28.33 +/- 0.85   0.000% *  4.4354% (0.80   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  22.86 +/- 0.53   0.000% *  1.0815% (0.20   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  28.94 +/- 0.48   0.000% *  3.1360% (0.57   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  21.52 +/- 0.72   0.000% *  0.4839% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 2.99, residual support = 16.0:
      O   HN    SER   85 - HA    SER   85   2.81 +/- 0.02  99.997% * 99.1530% (0.99   2.99  16.04) = 100.000%  kept
          HN    THR   94 - HA    SER   85  16.67 +/- 0.47   0.002% *  0.1490% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  26.34 +/- 0.60   0.000% *  0.5807% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  28.45 +/- 0.41   0.000% *  0.1172% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 3.56, residual support = 41.0:
      O   HN    ASP-  86 - HB3   ASP-  86   2.88 +/- 0.48  99.999% * 98.1296% (0.95   3.56  40.96) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  23.75 +/- 0.75   0.000% *  0.5715% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  22.14 +/- 0.87   0.001% *  0.3301% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  28.24 +/- 1.44   0.000% *  0.2614% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  31.00 +/- 1.62   0.000% *  0.3068% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  37.15 +/- 2.35   0.000% *  0.4005% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 4.87, residual support = 41.0:
      O   HN    ASP-  86 - HB2   ASP-  86   2.33 +/- 0.26 100.000% * 97.0473% (0.49   4.87  40.96) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  22.85 +/- 0.66   0.000% *  0.4632% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  27.40 +/- 1.22   0.000% *  0.7553% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  21.27 +/- 0.75   0.000% *  0.1262% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  30.11 +/- 1.49   0.000% *  0.7896% (0.97   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  36.23 +/- 2.21   0.000% *  0.8182% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.375, support = 3.6, residual support = 22.4:
          HD1   TRP   87 - HB2   ASP-  86   3.01 +/- 0.31  99.268% * 94.6419% (0.38   3.60  22.37) =  99.993%  kept
          HE3   TRP   87 - HB2   ASP-  86   6.97 +/- 0.40   0.706% *  0.8495% (0.61   0.02  22.37) =   0.006%
          HN    ALA   91 - HB2   ASP-  86  12.46 +/- 0.18   0.023% *  1.3249% (0.95   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   ASP-  86  18.51 +/- 0.72   0.002% *  1.3517% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASP-  86  27.60 +/- 0.47   0.000% *  1.2561% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  31.30 +/- 0.75   0.000% *  0.5758% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.83 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   2.63 +/- 0.36  99.486% * 86.2245% (0.22   2.25  10.83) =  99.991%  kept
          HB3   SER   82 - HB2   ASP-  86   6.45 +/- 0.61   0.513% *  1.4153% (0.41   0.02   0.02) =   0.008%
          HD3   PRO   52 - HB2   ASP-  86  20.89 +/- 1.12   0.001% *  3.1779% (0.92   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  21.14 +/- 0.47   0.000% *  3.0874% (0.90   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   ASP-  86  25.56 +/- 0.66   0.000% *  3.3223% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  27.58 +/- 0.53   0.000% *  0.9572% (0.28   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  30.10 +/- 1.42   0.000% *  0.6813% (0.20   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  30.89 +/- 1.33   0.000% *  0.5312% (0.15   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  33.90 +/- 2.53   0.000% *  0.6029% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 4.05, residual support = 41.0:
      O   HN    ASP-  86 - HA    ASP-  86   2.84 +/- 0.01  99.999% * 96.4712% (0.49   4.05  40.96) = 100.000%  kept
          HN    GLN   30 - HA    ASP-  86  25.47 +/- 0.59   0.000% *  0.5536% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    ASP-  86  29.82 +/- 0.90   0.000% *  0.9027% (0.92   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  32.01 +/- 1.20   0.000% *  0.9437% (0.97   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  23.94 +/- 0.70   0.000% *  0.1509% (0.15   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  38.47 +/- 2.12   0.000% *  0.9779% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 3.31, residual support = 69.2:
          HE3   TRP   87 - HA    TRP   87   3.02 +/- 0.06  99.908% * 98.4747% (0.99   3.31  69.21) = 100.000%  kept
          HN    ALA   91 - HA    TRP   87   9.86 +/- 0.49   0.091% *  0.5210% (0.87   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    TRP   87  20.73 +/- 1.20   0.001% *  0.3160% (0.53   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    TRP   87  26.54 +/- 0.39   0.000% *  0.5545% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  31.70 +/- 0.69   0.000% *  0.1337% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.02, residual support = 69.2:
      O   HE3   TRP   87 - HB2   TRP   87   2.56 +/- 0.02  99.905% * 98.3317% (0.99   3.02  69.21) =  99.999%  kept
          HN    ALA   91 - HB2   TRP   87   8.32 +/- 0.52   0.094% *  0.5699% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   TRP   87  19.01 +/- 1.42   0.001% *  0.3457% (0.53   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   87  24.20 +/- 0.40   0.000% *  0.6065% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  29.40 +/- 0.76   0.000% *  0.1463% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.981, support = 0.0198, residual support = 68.5:
      O   HE3   TRP   87 - HB3   TRP   87   4.09 +/- 0.01  98.769% * 28.0743% (0.99   0.02  69.21) =  98.926%  kept
          HN    ALA   91 - HB3   TRP   87   8.53 +/- 0.25   1.213% * 24.5699% (0.87   0.02   0.02) =   1.063%
          HN    TRP   27 - HB3   TRP   87  17.86 +/- 1.18   0.016% * 14.9024% (0.53   0.02   0.02) =   0.008%
          HN    ALA   61 - HB3   TRP   87  24.05 +/- 0.36   0.002% * 26.1473% (0.92   0.02   0.02) =   0.002%
          HN    GLN   17 - HB3   TRP   87  28.79 +/- 0.64   0.001% *  6.3061% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 20 structures by 0.44 A, eliminated.
    Peak unassigned.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.25, residual support = 13.8:
          QD1   ILE   89 - HB2   TRP   87   2.30 +/- 0.33  97.630% * 98.3179% (0.90   2.25  13.80) =  99.976%  kept
          QG2   VAL   83 - HB2   TRP   87   4.75 +/- 0.34   2.369% *  0.9745% (1.00   0.02  18.65) =   0.024%
          QD2   LEU   31 - HB2   TRP   87  16.61 +/- 1.11   0.001% *  0.7076% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.426, support = 3.4, residual support = 14.3:
        T QD1   ILE   89 - HB3   TRP   87   3.16 +/- 0.35  64.703% * 82.6554% (0.45   3.61  13.80) =  89.981%  kept
          QG2   VAL   83 - HB3   TRP   87   3.55 +/- 0.30  35.275% * 16.8819% (0.22   1.49  18.65) =  10.019%  kept
          QG2   VAL   75 - HB3   TRP   87  12.04 +/- 0.68   0.021% *  0.2839% (0.28   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  19.44 +/- 0.56   0.001% *  0.1788% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.223, support = 0.75, residual support = 13.8:
          HG12  ILE   89 - HB3   TRP   87   2.11 +/- 0.15  99.974% * 54.8868% (0.22   0.75  13.80) =  99.997%  kept
          QB    ALA   91 - HB3   TRP   87   9.12 +/- 0.85   0.024% *  5.7027% (0.87   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HB3   TRP   87  17.44 +/- 0.75   0.000% *  5.8960% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB3   TRP   87  15.25 +/- 0.55   0.001% *  2.7027% (0.41   0.02   0.02) =   0.000%
          QG2   THR   39 - HB3   TRP   87  24.01 +/- 0.90   0.000% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  25.06 +/- 0.75   0.000% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  18.92 +/- 1.65   0.000% *  1.1513% (0.18   0.02   0.02) =   0.000%
          QB    ALA   34 - HB3   TRP   87  20.53 +/- 0.66   0.000% *  1.6393% (0.25   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  26.28 +/- 1.36   0.000% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  28.64 +/- 0.70   0.000% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  30.84 +/- 1.32   0.000% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 10.8:
      O   HN    ALA   88 - HA    ALA   88   2.25 +/- 0.02 100.000% * 91.1240% (0.38   1.63  10.75) = 100.000%  kept
          HN    PHE   55 - HA    ALA   88  20.68 +/- 0.60   0.000% *  2.5803% (0.87   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  19.32 +/- 0.55   0.000% *  1.3336% (0.45   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ALA   88  25.32 +/- 0.83   0.000% *  2.5803% (0.87   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  27.81 +/- 0.27   0.000% *  2.3819% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 1.82, residual support = 10.8:
      O   HN    ALA   88 - QB    ALA   88   2.66 +/- 0.10  99.997% * 91.9806% (0.38   1.82  10.75) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  17.64 +/- 0.63   0.001% *  2.3312% (0.87   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  16.70 +/- 0.57   0.002% *  1.2049% (0.45   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  22.40 +/- 0.74   0.000% *  2.3312% (0.87   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  23.90 +/- 0.27   0.000% *  2.1520% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 213.0:
          QD1   ILE   89 - HA    ILE   89   2.32 +/- 0.26  99.834% * 99.6619% (0.92   5.98 213.00) = 100.000%  kept
          QG2   VAL   83 - HA    ILE   89   7.00 +/- 0.35   0.165% *  0.2481% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   31 - HA    ILE   89  16.82 +/- 1.00   0.001% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.16, residual support = 37.5:
      O   HN    GLN   90 - HA    ILE   89   2.20 +/- 0.02  99.987% * 99.4710% (0.99   6.16  37.48) = 100.000%  kept
          HN    SER   82 - HA    ILE   89  10.68 +/- 0.09   0.008% *  0.1461% (0.45   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    ILE   89  11.41 +/- 0.79   0.006% *  0.0906% (0.28   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  23.83 +/- 0.65   0.000% *  0.2923% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.93, residual support = 213.0:
      O   HN    ILE   89 - HA    ILE   89   2.84 +/- 0.03  99.998% * 98.8633% (0.76   5.93 213.00) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  18.15 +/- 0.73   0.002% *  0.3911% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  24.13 +/- 0.56   0.000% *  0.4125% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  30.14 +/- 1.05   0.000% *  0.2469% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  26.52 +/- 1.13   0.000% *  0.0863% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.946, support = 2.49, residual support = 7.94:
          HN    ALA   91 - HA    ILE   89   3.91 +/- 0.28  93.732% * 97.3085% (0.95   2.49   7.95) =  99.970%  kept
          HE3   TRP   87 - HA    ILE   89   6.56 +/- 0.36   4.310% *  0.5016% (0.61   0.02  13.80) =   0.024%
          HD1   TRP   87 - HA    ILE   89   7.55 +/- 0.14   1.946% *  0.3104% (0.38   0.02  13.80) =   0.007%
          HN    TRP   27 - HA    ILE   89  19.09 +/- 1.03   0.007% *  0.7980% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  21.35 +/- 0.36   0.004% *  0.7416% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  29.85 +/- 0.89   0.000% *  0.3400% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 213.0:
      O T QD1   ILE   89 - HB    ILE   89   3.16 +/- 0.03  91.884% * 99.4557% (0.74   5.31 213.00) =  99.980%  kept
          QG2   VAL   83 - HB    ILE   89   5.04 +/- 0.51   6.516% *  0.2785% (0.55   0.02   0.02) =   0.020%
        T QD2   LEU   31 - HB    VAL   43   6.30 +/- 0.26   1.529% *  0.0221% (0.04   0.02   0.02) =   0.000%
        T QD1   ILE   89 - HB    VAL   43  11.84 +/- 0.84   0.037% *  0.0817% (0.16   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB    VAL   43  12.43 +/- 0.93   0.027% *  0.0608% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  15.24 +/- 0.64   0.008% *  0.1011% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 213.0:
      O T HG13  ILE   89 - HB    ILE   89   2.34 +/- 0.09  99.998% * 99.9123% (0.78   4.97 213.00) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43  14.35 +/- 0.55   0.002% *  0.0877% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 5.5, residual support = 213.0:
      O   HN    ILE   89 - HB    ILE   89   2.46 +/- 0.18  99.969% * 98.4354% (0.61   5.50 213.00) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43  10.35 +/- 0.35   0.020% *  0.0917% (0.16   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  16.23 +/- 0.62   0.001% *  0.4197% (0.72   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.64 +/- 0.47   0.002% *  0.0967% (0.17   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.50 +/- 0.62   0.002% *  0.0579% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  13.53 +/- 0.43   0.004% *  0.0202% (0.03   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43  17.06 +/- 0.47   0.001% *  0.0781% (0.13   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  24.58 +/- 0.92   0.000% *  0.4427% (0.76   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  28.42 +/- 0.64   0.000% *  0.2650% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  24.49 +/- 0.76   0.000% *  0.0926% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 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  13.40 +/- 0.80 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.95 A violated in 20 structures by 9.44 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.94, support = 0.0199, residual support = 13.7:
          HD1   TRP   87 - QG2   ILE   89   6.37 +/- 0.36  98.626% * 23.9067% (0.95   0.02  13.80) =  99.385%  kept
          HN    TRP   27 - QG2   ILE   89  13.86 +/- 0.96   1.169% *  8.6206% (0.34   0.02   0.02) =   0.425%
          HN    LYS+ 102 - QG2   ILE   89  20.47 +/- 0.58   0.092% * 20.2366% (0.80   0.02   0.02) =   0.078%
          HN    GLU-  36 - QG2   ILE   89  22.13 +/- 0.80   0.061% * 23.9067% (0.95   0.02   0.02) =   0.061%
          HN    THR   39 - QG2   ILE   89  22.70 +/- 0.56   0.051% * 23.3294% (0.92   0.02   0.02) =   0.051%
    Distance limit 4.01 A violated in 20 structures by 2.36 A, eliminated.
    Peak unassigned.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.01, residual support = 37.5:
          HN    GLN   90 - QG2   ILE   89   3.04 +/- 0.28  99.716% * 99.1615% (0.61   7.01  37.48) =  99.999%  kept
          HN    SER   82 - QG2   ILE   89   8.29 +/- 0.46   0.279% *  0.4307% (0.92   0.02   0.02) =   0.001%
          HN    ILE  103 - QG2   ILE   89  18.17 +/- 0.64   0.003% *  0.1918% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  18.57 +/- 0.95   0.002% *  0.0720% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  22.13 +/- 0.71   0.001% *  0.1440% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.91, support = 0.0189, residual support = 0.0189:
        T HB2   PHE   45 - QG2   ILE   89   6.97 +/- 0.39  93.071% * 38.7738% (0.97   0.02   0.02) =  94.326%  kept
          QE    LYS+ 111 - QG2   ILE   89  12.18 +/- 0.94   3.726% * 40.0881% (1.00   0.02   0.02) =   3.905%
          HB2   CYS   21 - QG2   ILE   89  12.45 +/- 0.94   3.202% * 21.1381% (0.53   0.02   0.02) =   1.769%
    Distance limit 4.50 A violated in 20 structures by 2.47 A, eliminated.
    Peak unassigned.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.264, support = 4.48, residual support = 30.3:
          QG    GLN   90 - QG2   ILE   89   4.42 +/- 0.74  45.320% * 76.9210% (0.15   5.49  37.48) =  80.759%  kept
          HG2   MET   92 - QG2   ILE   89   5.02 +/- 2.22  53.017% * 15.6376% (0.73   0.24   0.02) =  19.206%  kept
          HB2   GLU-  79 - QG2   ILE   89   7.98 +/- 1.19   1.285% *  1.0281% (0.57   0.02   0.02) =   0.031%
          HG2   PRO   52 - QG2   ILE   89  10.08 +/- 1.08   0.229% *  0.4043% (0.22   0.02   0.02) =   0.002%
          QG    GLU- 114 - QG2   ILE   89  12.96 +/- 0.98   0.040% *  1.1748% (0.65   0.02   0.02) =   0.001%
          HB2   ASP-  44 - QG2   ILE   89  11.45 +/- 0.58   0.092% *  0.5049% (0.28   0.02   0.02) =   0.001%
          HB3   PHE   72 - QG2   ILE   89  16.03 +/- 0.84   0.013% *  0.3594% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE   89  20.94 +/- 0.95   0.003% *  0.6816% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  24.63 +/- 0.92   0.001% *  1.3187% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  22.56 +/- 1.43   0.002% *  0.4528% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  28.47 +/- 2.21   0.000% *  1.5168% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.568, support = 0.0197, residual support = 0.0197:
        T HB3   PHE   45 - QG2   ILE   89   5.82 +/- 0.42  88.239% * 11.1300% (0.49   0.02   0.02) =  81.107%  kept
          HB3   ASP-  86 - QG2   ILE   89   8.56 +/- 0.37   9.161% * 22.8658% (1.00   0.02   0.02) =  17.299%  kept
          QE    LYS+ 112 - QG2   ILE   89  13.66 +/- 1.00   0.608% * 11.1300% (0.49   0.02   0.02) =   0.558%
          HG3   MET   96 - QG2   ILE   89  13.07 +/- 0.57   0.722% *  7.7997% (0.34   0.02   0.02) =   0.465%
          HB    VAL  107 - QG2   ILE   89  12.40 +/- 0.92   1.106% *  3.5281% (0.15   0.02   0.02) =   0.322%
          HG2   GLU-  29 - QG2   ILE   89  18.90 +/- 0.92   0.080% * 22.0671% (0.97   0.02   0.02) =   0.145%
          HB3   ASP-  62 - QG2   ILE   89  19.40 +/- 0.28   0.067% * 17.4747% (0.76   0.02   0.02) =   0.097%
          HG2   GLU-  36 - QG2   ILE   89  24.25 +/- 0.79   0.018% *  4.0045% (0.18   0.02   0.02) =   0.006%
    Distance limit 4.32 A violated in 20 structures by 1.40 A, eliminated.
    Peak unassigned.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 2.07, residual support = 14.0:
          QB    ALA   84 - QG2   ILE   89   3.06 +/- 0.41  94.996% * 85.9143% (0.49   2.07  13.96) =  99.954%  kept
          QB    ALA   88 - QG2   ILE   89   5.44 +/- 0.15   3.817% *  0.5262% (0.31   0.02   5.53) =   0.025%
          HB3   LEU   80 - QG2   ILE   89   6.98 +/- 0.73   0.880% *  1.6899% (0.99   0.02   0.02) =   0.018%
          HB3   PRO   93 - QG2   ILE   89   8.81 +/- 0.32   0.218% *  0.7644% (0.45   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QG2   ILE   89  11.73 +/- 0.59   0.038% *  1.4789% (0.87   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QG2   ILE   89  12.61 +/- 1.16   0.032% *  1.6454% (0.97   0.02   0.02) =   0.001%
          HB2   LEU   31 - QG2   ILE   89  16.35 +/- 0.92   0.005% *  1.6899% (0.99   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   ILE   89  15.66 +/- 1.15   0.007% *  1.0341% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   ILE   89  16.85 +/- 0.25   0.004% *  1.6128% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  21.92 +/- 0.48   0.001% *  1.3030% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  22.18 +/- 0.88   0.001% *  1.2381% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  24.40 +/- 0.75   0.000% *  1.1030% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.66, residual support = 213.0:
      O T HG13  ILE   89 - QG2   ILE   89   2.58 +/- 0.13 100.000% *100.0000% (0.98   5.66 213.00) = 100.000%  kept
    Distance limit 3.58 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 = 0.923, support = 6.28, residual support = 213.0:
        T QD1   ILE   89 - QG2   ILE   89   1.86 +/- 0.07  99.767% * 99.6782% (0.92   6.28 213.00) =  99.999%  kept
        T QG2   VAL   83 - QG2   ILE   89   5.19 +/- 0.50   0.231% *  0.2361% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   31 - QG2   ILE   89  12.20 +/- 0.73   0.001% *  0.0857% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.43, residual support = 213.0:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.01  99.202% * 99.3301% (0.92   5.43 213.00) =  99.998%  kept
          QG2   VAL   83 - HG12  ILE   89   4.86 +/- 0.35   0.791% *  0.2722% (0.69   0.02   0.02) =   0.002%
          QD2   LEU   31 - HG3   LYS+  99  10.83 +/- 0.77   0.007% *  0.0401% (0.10   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  16.18 +/- 1.18   0.001% *  0.0988% (0.25   0.02   0.02) =   0.000%
        T QD1   ILE   89 - HG3   LYS+  99  22.39 +/- 0.80   0.000% *  0.1484% (0.37   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  22.17 +/- 0.95   0.000% *  0.1104% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 5.1, residual support = 213.0:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.8413% (0.98   5.10 213.00) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  27.05 +/- 0.70   0.000% *  0.1587% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 5.27, residual support = 213.0:
      O T QD1   ILE   89 - HG13  ILE   89   2.14 +/- 0.01  97.186% * 99.2755% (0.90   5.27 213.00) =  99.988%  kept
          QG2   VAL   83 - HG13  ILE   89   4.07 +/- 0.58   2.813% *  0.4197% (1.00   0.02   0.02) =   0.012%
          QD2   LEU   31 - HG13  ILE   89  14.82 +/- 1.17   0.001% *  0.3048% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.66, residual support = 213.0:
      O T QG2   ILE   89 - HG13  ILE   89   2.58 +/- 0.13  99.564% * 99.9060% (0.84   5.66 213.00) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   6.55 +/- 0.47   0.436% *  0.0940% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 213.0:
      O T HB    ILE   89 - HG13  ILE   89   2.34 +/- 0.09  99.959% * 98.8347% (0.49   4.97 213.00) = 100.000%  kept
          QD    LYS+  81 - HG13  ILE   89   9.28 +/- 0.93   0.039% *  0.3356% (0.41   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG13  ILE   89  14.35 +/- 0.55   0.002% *  0.3973% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  25.44 +/- 0.48   0.000% *  0.3064% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  25.04 +/- 0.60   0.000% *  0.1260% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 5.46, residual support = 213.0:
          HN    ILE   89 - HG13  ILE   89   3.30 +/- 0.34  99.987% * 98.7654% (0.76   5.46 213.00) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  16.78 +/- 1.40   0.010% *  0.4247% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  24.46 +/- 0.63   0.001% *  0.4480% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  27.75 +/- 1.18   0.000% *  0.2681% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  23.99 +/- 1.39   0.001% *  0.0937% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 213.0:
          HN    ILE   89 - HG12  ILE   89   2.12 +/- 0.28  99.970% * 98.1904% (0.76   5.64 213.00) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99   9.17 +/- 1.10   0.027% *  0.1046% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  18.19 +/- 1.18   0.000% *  0.4084% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  12.92 +/- 0.92   0.003% *  0.0365% (0.08   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  17.53 +/- 0.52   0.000% *  0.1747% (0.38   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  19.69 +/- 0.88   0.000% *  0.1656% (0.36   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  25.39 +/- 0.64   0.000% *  0.4308% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  29.37 +/- 1.24   0.000% *  0.2578% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  25.61 +/- 1.41   0.000% *  0.0901% (0.20   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  30.03 +/- 0.66   0.000% *  0.1411% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 50.60 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 213.0:
      O T HG13  ILE   89 - QD1   ILE   89   2.14 +/- 0.01 100.000% *100.0000% (0.98   5.27 213.00) = 100.000%  kept
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.28, residual support = 213.0:
        T QG2   ILE   89 - QD1   ILE   89   1.86 +/- 0.07  99.961% * 99.9152% (0.84   6.28 213.00) = 100.000%  kept
        T QG1   VAL   83 - QD1   ILE   89   6.95 +/- 0.43   0.039% *  0.0848% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 50.60 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.43, residual support = 213.0:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.01  99.994% * 98.7826% (1.00   5.43 213.00) = 100.000%  kept
          HG3   LYS+ 111 - QD1   ILE   89  12.61 +/- 1.12   0.003% *  0.3574% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   89  13.23 +/- 1.06   0.002% *  0.1775% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  17.37 +/- 1.19   0.000% *  0.1014% (0.28   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  20.90 +/- 1.51   0.000% *  0.1918% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  20.53 +/- 1.19   0.000% *  0.1244% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  19.97 +/- 1.15   0.000% *  0.1014% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  22.39 +/- 0.80   0.000% *  0.1635% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 213.0:
      O T HB    ILE   89 - QD1   ILE   89   3.16 +/- 0.03  99.729% * 98.9083% (0.49   5.31 213.00) =  99.999%  kept
          QD    LYS+  81 - QD1   ILE   89   9.05 +/- 0.82   0.229% *  0.3144% (0.41   0.02   0.02) =   0.001%
        T HB    VAL   43 - QD1   ILE   89  11.84 +/- 0.84   0.040% *  0.3723% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  20.92 +/- 0.63   0.001% *  0.2870% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  20.65 +/- 0.87   0.001% *  0.1180% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 50.60 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 0.0183, residual support = 0.0183:
        T HB3   MET   96 - QD1   ILE   89  11.26 +/- 0.63  81.553% * 15.0865% (0.53   0.02   0.02) =  75.774%  kept
          HB3   ARG+  54 - QD1   ILE   89  15.99 +/- 0.62  10.356% * 24.8734% (0.87   0.02   0.02) =  15.864%  kept
          HB    VAL   18 - QD1   ILE   89  18.63 +/- 1.01   4.121% * 17.3922% (0.61   0.02   0.02) =   4.414%
          HB2   LEU   40 - QD1   ILE   89  21.52 +/- 0.85   1.673% * 25.7165% (0.90   0.02   0.02) =   2.650%
          HB2   LEU   67 - QD1   ILE   89  21.33 +/- 0.65   1.770% *  9.7812% (0.34   0.02   0.02) =   1.066%
          HB3   GLU-  14 - QD1   ILE   89  26.55 +/- 2.21   0.526% *  7.1501% (0.25   0.02   0.02) =   0.232%
    Distance limit 4.04 A violated in 20 structures by 6.99 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.61, residual support = 13.8:
        T HB3   TRP   87 - QD1   ILE   89   3.16 +/- 0.35  99.975% * 99.1032% (0.76   3.61  13.80) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89  13.23 +/- 0.71   0.022% *  0.0972% (0.14   0.02   0.02) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  20.35 +/- 0.95   0.002% *  0.5999% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  24.77 +/- 1.20   0.001% *  0.1997% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  16.92 +/- 0.52  52.572% * 62.4025% (0.57   0.02   0.02) =  64.786%  kept
          HB    THR  118 - QD1   ILE   89  17.22 +/- 0.56  47.428% * 37.5975% (0.34   0.02   0.02) =  35.214%  kept
    Distance limit 3.28 A violated in 20 structures by 11.90 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.444, support = 0.0198, residual support = 0.0198:
          QD    PHE   45 - QD1   ILE   89   7.17 +/- 0.94  99.537% * 16.2393% (0.45   0.02   0.02) =  99.085%  kept
          HD2   HIS  122 - QD1   ILE   89  20.04 +/- 0.40   0.263% * 35.9010% (0.99   0.02   0.02) =   0.578%
          HE22  GLN  116 - QD1   ILE   89  22.90 +/- 0.80   0.130% * 35.5043% (0.98   0.02   0.02) =   0.284%
          HE22  GLN   17 - QD1   ILE   89  24.92 +/- 1.51   0.070% * 12.3555% (0.34   0.02   0.02) =   0.053%
    Distance limit 4.30 A violated in 20 structures by 2.87 A, eliminated.
    Peak unassigned.
 
    Peak 2988 (7.69, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 1.98, residual support = 13.8:
          HE3   TRP   87 - QD1   ILE   89   3.68 +/- 0.26  83.882% * 17.0104% (0.28   1.68  13.80) =  52.050%  kept
          HN    TRP   87 - QD1   ILE   89   4.88 +/- 0.16  16.115% * 81.5691% (0.97   2.32  13.80) =  47.950%  kept
          HN    GLN   17 - QD1   ILE   89  22.61 +/- 0.99   0.002% *  0.7300% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  25.23 +/- 1.08   0.001% *  0.6906% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2989 (7.92, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.83, residual support = 213.0:
          HN    ILE   89 - QD1   ILE   89   3.53 +/- 0.12  99.970% * 98.8425% (0.76   5.83 213.00) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  14.85 +/- 1.22   0.022% *  0.3982% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  19.34 +/- 0.52   0.004% *  0.4200% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  23.60 +/- 1.28   0.001% *  0.2514% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  20.77 +/- 1.40   0.003% *  0.0879% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 6.1, residual support = 95.3:
          HN    GLN   90 - QG    GLN   90   2.87 +/- 0.80  99.970% * 99.2817% (0.69   6.10  95.33) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90  12.06 +/- 1.13   0.030% *  0.3253% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  24.43 +/- 0.88   0.001% *  0.3930% (0.83   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.67, residual support = 95.3:
      O   HN    GLN   90 - HB3   GLN   90   2.93 +/- 0.49  99.959% * 99.4254% (0.83   5.67  95.33) = 100.000%  kept
          HN    SER   82 - HB3   GLN   90  12.65 +/- 0.60   0.022% *  0.1587% (0.37   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  12.82 +/- 0.54   0.019% *  0.0984% (0.23   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  26.83 +/- 0.65   0.000% *  0.3175% (0.75   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.79, residual support = 53.6:
      O   HN    GLU-  79 - HB3   GLU-  79   2.82 +/- 0.10  99.774% * 91.7455% (0.16   3.79  53.62) =  99.997%  kept
          HN    SER   85 - HB2   GLN   90   9.71 +/- 0.78   0.066% *  1.8412% (0.61   0.02   0.02) =   0.001%
          HN    SER   85 - HB3   GLU-  79   9.35 +/- 0.34   0.080% *  1.3324% (0.44   0.02   0.02) =   0.001%
          HN    GLU-  79 - HB2   GLN   90  10.51 +/- 1.02   0.045% *  0.6698% (0.22   0.02   0.02) =   0.000%
          HN    THR   94 - HB2   GLN   90  12.57 +/- 0.52   0.013% *  1.6549% (0.55   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  11.96 +/- 0.51   0.018% *  1.1976% (0.40   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.45 +/- 0.35   0.003% *  0.6544% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  27.55 +/- 0.61   0.000% *  0.9042% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.16, residual support = 53.6:
      O T HA    GLU-  79 - HB3   GLU-  79   3.05 +/- 0.00  98.116% * 92.5765% (0.57   4.16  53.62) =  99.991%  kept
          HB    THR   77 - HB2   GLN   90   7.21 +/- 0.69   0.676% *  0.5027% (0.64   0.02   0.02) =   0.004%
          HB    THR   77 - HB3   GLU-  79   6.99 +/- 0.06   0.675% *  0.3638% (0.46   0.02   0.02) =   0.003%
          HA    SER   85 - HB2   GLN   90   8.23 +/- 0.71   0.304% *  0.5027% (0.64   0.02   0.02) =   0.002%
          HA1   GLY   51 - HB2   GLN   90   9.96 +/- 1.40   0.123% *  0.5446% (0.69   0.02   0.02) =   0.001%
        T HA    GLU-  79 - HB2   GLN   90  12.37 +/- 1.12   0.025% *  0.6154% (0.78   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  11.44 +/- 0.38   0.036% *  0.3638% (0.46   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.07 +/- 0.45   0.026% *  0.3299% (0.42   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  16.10 +/- 0.56   0.005% *  0.4559% (0.58   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  16.78 +/- 0.74   0.004% *  0.3941% (0.50   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  15.99 +/- 0.53   0.005% *  0.2572% (0.33   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  16.95 +/- 0.74   0.003% *  0.3555% (0.45   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.63 +/- 0.86   0.001% *  0.4075% (0.52   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  23.91 +/- 0.58   0.000% *  0.4298% (0.55   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  25.71 +/- 0.60   0.000% *  0.5631% (0.72   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  32.13 +/- 0.51   0.000% *  0.5939% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  31.28 +/- 2.91   0.000% *  0.3121% (0.40   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  41.24 +/- 2.82   0.000% *  0.4313% (0.55   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.664, support = 0.02, residual support = 0.02:
          QB    ALA   88 - QG    GLN   90   4.67 +/- 0.61  86.217% * 26.0896% (0.62   0.02   0.02) =  81.511%  kept
          QG2   THR   77 - QG    GLN   90   6.71 +/- 0.60  13.657% * 37.2292% (0.88   0.02   0.02) =  18.425%  kept
          QG2   THR   23 - QG    GLN   90  14.41 +/- 0.60   0.123% * 14.2548% (0.34   0.02   0.02) =   0.063%
          HG2   LYS+  99 - QG    GLN   90  28.19 +/- 0.95   0.002% *  9.4707% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QG    GLN   90  31.02 +/- 0.87   0.001% * 12.9557% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 17 structures by 0.68 A, eliminated.
    Peak unassigned.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.239, support = 0.0188, residual support = 0.0188:
          QG    LYS+  81 - QG    GLN   90   6.74 +/- 1.25  96.059% *  3.4351% (0.18   0.02   0.02) =  84.081%  kept
          HD3   LYS+  74 - QG    GLN   90  13.92 +/- 0.88   2.283% * 17.3194% (0.89   0.02   0.02) =  10.077%  kept
          HB3   LYS+ 111 - QG    GLN   90  16.05 +/- 1.12   1.088% * 17.3580% (0.90   0.02   0.02) =   4.812%
          HB3   LYS+ 121 - QG    GLN   90  24.98 +/- 1.07   0.065% * 17.0143% (0.88   0.02   0.02) =   0.283%
          HG    LEU  104 - QG    GLN   90  25.71 +/- 0.94   0.053% * 17.0143% (0.88   0.02   0.02) =   0.228%
          QD    LYS+  66 - QG    GLN   90  24.65 +/- 1.37   0.074% *  9.8273% (0.51   0.02   0.02) =   0.186%
          HG2   LYS+ 106 - QG    GLN   90  20.59 +/- 0.92   0.211% *  2.6782% (0.14   0.02   0.02) =   0.144%
          HG2   LYS+  33 - QG    GLN   90  26.75 +/- 0.90   0.035% *  8.4490% (0.44   0.02   0.02) =   0.075%
          HG2   LYS+  65 - QG    GLN   90  24.04 +/- 0.90   0.076% *  3.0399% (0.16   0.02   0.02) =   0.059%
          HD2   LYS+ 121 - QG    GLN   90  25.43 +/- 1.00   0.056% *  3.8645% (0.20   0.02   0.02) =   0.055%
    Distance limit 4.20 A violated in 20 structures by 2.51 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 63.5:
      O   HG3   MET   92 - HB2   MET   92   2.40 +/- 0.18  99.830% * 94.9153% (0.73   2.96  63.50) =  99.999%  kept
        T QG    GLN   90 - HB2   MET   92   7.77 +/- 1.15   0.145% *  0.7079% (0.80   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   MET   92  11.86 +/- 1.02   0.008% *  0.5362% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  11.31 +/- 2.00   0.014% *  0.1548% (0.18   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  17.04 +/- 1.01   0.001% *  0.8821% (1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  17.53 +/- 0.98   0.001% *  0.6419% (0.73   0.02   0.02) =   0.000%
        T HB2   ASP- 105 - HB2   MET   92  16.56 +/- 0.43   0.001% *  0.3016% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  22.72 +/- 2.03   0.000% *  0.7384% (0.84   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  24.05 +/- 1.26   0.000% *  0.4303% (0.49   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  26.49 +/- 2.23   0.000% *  0.5719% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  26.76 +/- 0.95   0.000% *  0.1196% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.94, residual support = 63.5:
      O   HN    MET   92 - HB2   MET   92   2.43 +/- 0.25  99.831% * 98.6296% (0.92   3.94  63.50) =  99.999%  kept
          HN    THR   46 - HB2   MET   92   8.11 +/- 1.40   0.160% *  0.5415% (1.00   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB2   MET   92  15.21 +/- 1.59   0.003% *  0.4346% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  12.59 +/- 2.01   0.006% *  0.1509% (0.28   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  38.42 +/- 3.33   0.000% *  0.2433% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 63.5:
      O T HA    MET   92 - HB2   MET   92   3.01 +/- 0.03  99.998% * 98.9770% (0.61   3.87  63.50) = 100.000%  kept
          HA    VAL   41 - HB2   MET   92  19.06 +/- 0.99   0.002% *  0.3471% (0.41   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  23.20 +/- 0.55   0.000% *  0.6760% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 3.22, residual support = 63.5:
      O   HG3   MET   92 - HB3   MET   92   2.95 +/- 0.11  99.488% * 95.3164% (0.73   3.22  63.50) =  99.997%  kept
          QG    GLN   90 - HB3   MET   92   8.59 +/- 1.41   0.441% *  0.6520% (0.80   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HB3   MET   92  11.47 +/- 0.49   0.030% *  0.4939% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  15.89 +/- 1.31   0.005% *  0.8125% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  12.00 +/- 1.13   0.027% *  0.1426% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  17.11 +/- 0.88   0.003% *  0.5913% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.48 +/- 0.60   0.005% *  0.2778% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  22.97 +/- 1.39   0.000% *  0.6802% (0.84   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  23.72 +/- 1.11   0.000% *  0.3964% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.32 +/- 1.58   0.000% *  0.5268% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.16 +/- 0.99   0.000% *  0.1102% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 4.15, residual support = 63.5:
      O T HA    MET   92 - HB3   MET   92   2.72 +/- 0.11  99.999% * 99.0466% (0.61   4.15  63.50) = 100.000%  kept
          HA    VAL   41 - HB3   MET   92  18.59 +/- 0.77   0.001% *  0.3234% (0.41   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   MET   92  22.14 +/- 0.82   0.000% *  0.6300% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 63.5:
      O T HA    MET   92 - HG2   MET   92   2.29 +/- 0.23 100.000% * 98.4188% (0.61   2.49  63.50) = 100.000%  kept
          HA    VAL   41 - HG2   MET   92  20.69 +/- 0.86   0.000% *  0.5364% (0.41   0.02   0.02) =   0.000%
          HA    HIS  122 - HG2   MET   92  23.77 +/- 0.95   0.000% *  1.0448% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.338, support = 0.0197, residual support = 2.87:
          HB2   SER   37 - QG2   THR   39   4.63 +/- 1.22  90.554% * 10.7941% (0.30   0.02   3.45) =  83.219%  kept
          HA1   GLY   16 - QG2   THR   39   7.82 +/- 1.63   8.280% * 21.7367% (0.60   0.02   0.02) =  15.323%  kept
          HA    LYS+  66 - QG2   THR   39  10.99 +/- 0.73   0.887% * 16.6488% (0.46   0.02   0.02) =   1.258%
          HA1   GLY   16 - QG2   THR   23  18.67 +/- 0.68   0.065% * 12.1974% (0.33   0.02   0.02) =   0.067%
          HB2   SER   37 - QG2   THR   23  18.98 +/- 0.83   0.110% *  6.0571% (0.17   0.02   0.02) =   0.057%
          HA1   GLY   16 - QB    ALA   91  21.52 +/- 0.86   0.035% * 10.2645% (0.28   0.02   0.02) =   0.031%
          HA    LYS+  66 - QB    ALA   91  21.49 +/- 0.65   0.035% *  7.8619% (0.22   0.02   0.02) =   0.024%
          HA    LYS+  66 - QG2   THR   23  22.99 +/- 0.60   0.020% *  9.3424% (0.26   0.02   0.02) =   0.016%
          HB2   SER   37 - QB    ALA   91  25.03 +/- 0.84   0.014% *  5.0972% (0.14   0.02   0.02) =   0.006%
    Distance limit 3.82 A violated in 18 structures by 0.82 A, eliminated.
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.22, residual support = 63.5:
      O   HN    MET   92 - HB3   MET   92   3.51 +/- 0.15  99.231% * 99.3099% (0.92   4.22  63.50) =  99.997%  kept
          HN    THR   46 - HB3   MET   92   8.32 +/- 0.67   0.703% *  0.3893% (0.76   0.02   0.02) =   0.003%
          HN    ASP- 113 - HB3   MET   92  13.24 +/- 1.86   0.049% *  0.1270% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  15.23 +/- 0.88   0.017% *  0.1738% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.753, support = 0.0196, residual support = 0.0196:
          HA    THR   46 - HB3   MET   92   6.75 +/- 0.28  77.344% * 16.4223% (0.80   0.02   0.02) =  92.875%  kept
          HA    GLN   90 - HB3   MET   92   8.58 +/- 0.48  19.938% *  3.5917% (0.18   0.02   0.02) =   5.236%  kept
          HA    VAL   42 - HB3   MET   92  14.84 +/- 0.65   0.701% * 18.3930% (0.90   0.02   0.02) =   0.943%
          HA    PHE   55 - HB3   MET   92  14.19 +/- 1.78   1.455% *  6.3300% (0.31   0.02   0.02) =   0.674%
          HA    PRO   58 - HB3   MET   92  16.88 +/- 1.16   0.364% *  5.1139% (0.25   0.02   0.02) =   0.136%
          HA    GLN   17 - HB3   MET   92  22.02 +/- 0.65   0.066% * 17.7900% (0.87   0.02   0.02) =   0.086%
          HA    LEU   40 - HB3   MET   92  21.05 +/- 0.69   0.085% *  3.1644% (0.15   0.02   0.02) =   0.020%
          HA    SER   37 - HB3   MET   92  28.94 +/- 0.87   0.013% * 17.7900% (0.87   0.02   0.02) =   0.016%
          HA    GLU-  15 - HB3   MET   92  25.63 +/- 0.77   0.026% *  5.7022% (0.28   0.02   0.02) =   0.011%
          HA    SER   13 - HB3   MET   92  31.56 +/- 1.69   0.008% *  5.7022% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.71 A violated in 20 structures by 1.78 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 63.5:
      O T HA    MET   92 - HG3   MET   92   3.12 +/- 0.36  99.981% * 99.5972% (0.99   3.97  63.50) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  14.20 +/- 1.30   0.018% *  0.2465% (0.49   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  24.33 +/- 1.34   0.001% *  0.1563% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.04, residual support = 63.5:
          HN    MET   92 - HG3   MET   92   3.83 +/- 0.33  99.208% * 99.2793% (0.92   4.04  63.50) =  99.997%  kept
          HN    THR   46 - HG3   MET   92   9.57 +/- 1.06   0.727% *  0.4066% (0.76   0.02   0.02) =   0.003%
          HN    ASP- 113 - HG3   MET   92  14.46 +/- 1.92   0.044% *  0.1327% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  16.80 +/- 1.41   0.021% *  0.1815% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.409, support = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HB2   PRO   93   6.99 +/- 0.51  96.201% * 67.4545% (0.41   0.02   0.02) =  99.446%  kept
          HN    LYS+  65 - HB2   PRO   93  15.33 +/- 0.36   0.913% * 25.3164% (0.15   0.02   0.02) =   0.354%
          QD    PHE   45 - HG3   GLN   30  13.39 +/- 0.62   2.241% *  5.2564% (0.03   0.02   0.02) =   0.181%
          HN    LYS+  65 - HG3   GLN   30  16.46 +/- 1.16   0.644% *  1.9728% (0.01   0.02   0.02) =   0.019%
    Distance limit 4.81 A violated in 20 structures by 2.18 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.4, residual support = 15.8:
      O   HN    THR   94 - HB2   PRO   93   4.07 +/- 0.19  99.725% * 99.4588% (1.00   4.40  15.84) =  99.999%  kept
          HN    GLU-  79 - HB2   PRO   93  11.42 +/- 0.79   0.210% *  0.3293% (0.73   0.02   0.02) =   0.001%
          HN    SER   85 - HB2   PRO   93  16.61 +/- 0.59   0.022% *  0.1400% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  16.31 +/- 0.73   0.026% *  0.0257% (0.06   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.16 +/- 0.65   0.014% *  0.0353% (0.08   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  23.27 +/- 0.69   0.003% *  0.0109% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 0.409, support = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HG2   PRO   93   8.49 +/- 0.23  98.404% * 72.7108% (0.41   0.02   0.02) =  99.395%  kept
          HN    LYS+  65 - HG2   PRO   93  16.96 +/- 0.95   1.596% * 27.2892% (0.15   0.02   0.02) =   0.605%
    Distance limit 4.63 A violated in 20 structures by 3.86 A, eliminated.
    Peak unassigned.
 
    Peak 3010 (2.05, 1.68, 24.81 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 5.3, residual support = 132.2:
      O   HB2   PRO   93 - HG3   PRO   93   2.31 +/- 0.00  99.966% * 97.5185% (0.84   5.30 132.17) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   9.56 +/- 0.72   0.022% *  0.4394% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93  10.87 +/- 0.64   0.010% *  0.4394% (1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  15.06 +/- 0.53   0.001% *  0.3950% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  21.72 +/- 0.83   0.000% *  0.3950% (0.90   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  22.25 +/- 1.01   0.000% *  0.2671% (0.61   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  27.77 +/- 0.60   0.000% *  0.3679% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  23.88 +/- 0.94   0.000% *  0.1098% (0.25   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  35.69 +/- 2.40   0.000% *  0.0680% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.2:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  99.220% * 97.1713% (0.99   3.97 132.17) =  99.998%  kept
          HB3   PRO   52 - HG3   PRO   93   4.49 +/- 0.76   0.779% *  0.1854% (0.38   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG3   PRO   93  17.06 +/- 0.59   0.000% *  0.4674% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HG3   PRO   93  16.69 +/- 0.65   0.000% *  0.3776% (0.76   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.71 +/- 0.44   0.000% *  0.3196% (0.65   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  19.62 +/- 0.93   0.000% *  0.3957% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  20.78 +/- 0.78   0.000% *  0.3588% (0.73   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  21.89 +/- 0.29   0.000% *  0.4286% (0.87   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  20.07 +/- 0.58   0.000% *  0.1854% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  20.99 +/- 1.20   0.000% *  0.1100% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 3.97, residual support = 132.2:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.781% * 96.5274% (0.95   3.97 132.17) =  99.999%  kept
          HB3   MET   92 - HG2   PRO   93   5.57 +/- 0.96   0.213% *  0.4748% (0.92   0.02   1.36) =   0.001%
        T HD2   LYS+ 111 - HG2   PRO   93   9.48 +/- 0.69   0.004% *  0.5041% (0.98   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  13.60 +/- 0.68   0.000% *  0.3119% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  15.49 +/- 0.69   0.000% *  0.4118% (0.80   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  20.27 +/- 0.49   0.000% *  0.4963% (0.97   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  17.32 +/- 1.04   0.000% *  0.1430% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.67 +/- 0.37   0.000% *  0.1018% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.69 +/- 0.57   0.000% *  0.2912% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  22.01 +/- 0.75   0.000% *  0.4118% (0.80   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  17.98 +/- 1.02   0.000% *  0.1145% (0.22   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  26.13 +/- 1.18   0.000% *  0.2114% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.1:
      O   HD3   PRO   93 - HG3   PRO   93   2.30 +/- 0.00  95.501% * 97.7036% (0.97   3.97 132.17) =  99.979%  kept
          HB3   CYS   53 - HG3   PRO   93   4.74 +/- 0.98   4.161% *  0.4262% (0.84   0.02   0.02) =   0.019%
          QB    PHE   55 - HG3   PRO   93   6.13 +/- 0.52   0.316% *  0.5091% (1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HG3   PRO   93   9.89 +/- 0.35   0.015% *  0.4710% (0.92   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  11.36 +/- 0.76   0.007% *  0.3899% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  23.01 +/- 1.06   0.000% *  0.5001% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.2:
      O   HD2   PRO   93 - HG3   PRO   93   2.87 +/- 0.00  99.943% * 97.2575% (0.25   3.97 132.17) =  99.999%  kept
          HA    THR   77 - HG3   PRO   93  10.05 +/- 0.28   0.055% *  1.8147% (0.92   0.02   0.02) =   0.001%
          HB2   TRP   27 - HG3   PRO   93  18.00 +/- 0.69   0.002% *  0.4902% (0.25   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  21.29 +/- 0.81   0.001% *  0.4377% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.20 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  16.97 +/- 0.73 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.68 A violated in 20 structures by 12.29 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.712, support = 2.96, residual support = 6.62:
          HN    ALA  110 - HD2   PRO   93   2.91 +/- 0.37  99.712% * 99.2027% (0.71   2.96   6.62) =  99.998%  kept
          HN    PHE   45 - HD2   PRO   93   8.08 +/- 0.14   0.262% *  0.5718% (0.61   0.02   0.02) =   0.002%
          HN    ASP-  44 - HD2   PRO   93  11.91 +/- 0.28   0.025% *  0.1056% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - HD2   PRO   93  20.84 +/- 0.46   0.001% *  0.1199% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 0.987, residual support = 0.987:
          HA1   GLY  109 - HD2   PRO   93   3.00 +/- 0.55  99.006% * 88.9847% (0.38   0.99   0.99) =  99.981%  kept
          HA    CYS   50 - HD2   PRO   93   7.92 +/- 0.68   0.943% *  1.6682% (0.35   0.02   0.02) =   0.018%
          HA    TRP   49 - HD2   PRO   93  12.60 +/- 0.66   0.042% *  2.3542% (0.50   0.02   0.02) =   0.001%
          HA    CYS   21 - HD2   PRO   93  19.13 +/- 0.23   0.002% *  2.9729% (0.63   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   PRO   93  16.87 +/- 0.39   0.006% *  0.6002% (0.13   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   PRO   93  22.47 +/- 0.25   0.001% *  3.4197% (0.72   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 6.62:
          QB    ALA  110 - HD2   PRO   93   3.29 +/- 0.68  99.771% * 93.8304% (0.69   2.31   6.62) =  99.999%  kept
          QB    ALA   61 - HD2   PRO   93  13.04 +/- 0.64   0.033% *  0.8566% (0.72   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   PRO   93  10.50 +/- 0.51   0.127% *  0.1504% (0.13   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   PRO   93  16.67 +/- 1.52   0.012% *  0.8285% (0.70   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   PRO   93  15.57 +/- 1.23   0.018% *  0.4179% (0.35   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   PRO   93  14.99 +/- 0.41   0.016% *  0.2650% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   PRO   93  17.86 +/- 0.18   0.006% *  0.5207% (0.44   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   PRO   93  18.68 +/- 0.95   0.004% *  0.6874% (0.58   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   PRO   93  20.88 +/- 0.89   0.002% *  0.8121% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD2   PRO   93  18.69 +/- 1.01   0.005% *  0.2928% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  21.54 +/- 0.41   0.002% *  0.7699% (0.65   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  20.30 +/- 0.72   0.003% *  0.1504% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  25.22 +/- 0.80   0.001% *  0.4179% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.652, support = 1.23, residual support = 8.72:
          QB    ALA  110 - HD3   PRO   93   3.97 +/- 0.29  61.961% * 58.7121% (0.78   0.75   6.62) =  82.005%  kept
          HB3   LEU   67 - HD3   PRO   68   4.55 +/- 0.17  29.761% * 26.7886% (0.08   3.43  18.27) =  17.972%  kept
          QG    LYS+  66 - HD3   PRO   68   5.92 +/- 0.81   7.775% *  0.0991% (0.05   0.02   0.02) =   0.017%
          QB    ALA   61 - HD3   PRO   93  12.74 +/- 0.44   0.057% *  1.1676% (0.58   0.02   0.02) =   0.001%
          HB2   LEU   80 - HD3   PRO   93  14.77 +/- 0.91   0.027% *  1.7074% (0.85   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HD3   PRO   93  14.16 +/- 0.41   0.031% *  1.4453% (0.72   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68  10.50 +/- 0.65   0.186% *  0.2078% (0.10   0.02   0.02) =   0.001%
          HG    LEU   80 - HD3   PRO   93  15.94 +/- 1.36   0.018% *  1.5076% (0.75   0.02   0.02) =   0.001%
          HG12  ILE   19 - HD3   PRO   68  13.30 +/- 0.35   0.044% *  0.2965% (0.15   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.52 +/- 0.37   0.009% *  0.9496% (0.47   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   68  15.06 +/- 1.23   0.024% *  0.2683% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   93  19.88 +/- 0.97   0.004% *  1.5076% (0.75   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  21.01 +/- 0.36   0.003% *  1.6662% (0.83   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  15.09 +/- 0.52   0.022% *  0.1690% (0.08   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  18.95 +/- 0.83   0.005% *  0.5571% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  16.78 +/- 0.57   0.011% *  0.2572% (0.13   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  17.57 +/- 0.20   0.008% *  0.3161% (0.16   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  14.55 +/- 1.13   0.028% *  0.0893% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  21.18 +/- 0.81   0.003% *  0.8786% (0.44   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  18.83 +/- 0.62   0.005% *  0.2786% (0.14   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  15.85 +/- 0.46   0.016% *  0.0563% (0.03   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  28.09 +/- 2.05   0.001% *  0.5018% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  28.69 +/- 1.07   0.000% *  0.2683% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  29.60 +/- 0.57   0.000% *  0.3039% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - HB    THR   94   7.30 +/- 0.77 100.000% *100.0000% (0.28   0.02   0.02) = 100.000%  kept
    Distance limit 3.71 A violated in 20 structures by 3.59 A, eliminated.
    Peak unassigned.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 0.0194, residual support = 0.0194:
          QD1   ILE   89 - HB    THR   94   7.92 +/- 0.57  77.079% * 49.6466% (0.77   0.02   0.02) =  86.024%  kept
          QG2   VAL   83 - HB    THR   94  10.89 +/- 1.43  13.358% * 36.9429% (0.57   0.02   0.02) =  11.093%  kept
          QD2   LEU   31 - HB    THR   94  11.36 +/- 0.30   9.563% * 13.4105% (0.21   0.02   0.02) =   2.883%
    Distance limit 4.11 A violated in 20 structures by 3.60 A, eliminated.
    Peak unassigned.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.2:
        T HB2   PHE   45 - HB    THR   94   2.91 +/- 0.27  99.935% * 98.9433% (0.81   2.96  27.23) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  10.66 +/- 0.72   0.055% *  0.6919% (0.83   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  13.53 +/- 0.64   0.011% *  0.3648% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3025 (5.59, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.146, support = 0.02, residual support = 0.02:
          HA    LEU   73 - HB    THR   94  12.82 +/- 0.32 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.33 A violated in 20 structures by 9.49 A, eliminated.
    Peak unassigned.
 
    Peak 3026 (8.03, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 3.08, residual support = 25.3:
      O   HN    THR   94 - HB    THR   94   2.61 +/- 0.10  99.986% * 99.3309% (0.83   3.08  25.31) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  11.97 +/- 0.68   0.012% *  0.4695% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94  15.57 +/- 0.98   0.002% *  0.1996% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.806, support = 3.3, residual support = 27.2:
          HN    PHE   45 - HB    THR   94   4.31 +/- 0.15  94.794% * 99.4994% (0.81   3.30  27.23) =  99.972%  kept
          HN    ALA  110 - HB    THR   94   7.11 +/- 0.43   5.206% *  0.5006% (0.67   0.02   0.02) =   0.028%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   THR   94   4.45 +/- 0.15 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.89 A violated in 20 structures by 0.56 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.14, residual support = 14.3:
          HN    PHE   95 - QG2   THR   94   2.46 +/- 0.22 100.000% *100.0000% (0.97   4.14  14.32) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.517, support = 0.0192, residual support = 0.0192:
          HA    PHE   59 - HA    PHE   95   9.93 +/- 0.19  75.334% *  8.2742% (0.25   0.02   0.02) =  48.583%  kept
          HA    LEU  104 - HA    PHE   95  12.20 +/- 0.15  21.942% * 27.7167% (0.84   0.02   0.02) =  47.400%  kept
          HA    TRP   87 - HA    PHE   95  19.74 +/- 0.53   1.238% * 25.3593% (0.76   0.02   0.02) =   2.448%
          HA    GLU-  14 - HA    PHE   95  21.75 +/- 1.42   0.769% * 14.8769% (0.45   0.02   0.02) =   0.891%
          HA    ASP-  86 - HA    PHE   95  22.80 +/- 0.61   0.521% * 12.4539% (0.38   0.02   0.02) =   0.506%
          HA    ALA   12 - HA    PHE   95  27.46 +/- 1.95   0.197% * 11.3190% (0.34   0.02   0.02) =   0.173%
    Distance limit 3.96 A violated in 20 structures by 5.55 A, eliminated.
    Peak unassigned.
 
    Peak 3032 (7.03, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 73.5:
          QD    PHE   95 - HA    PHE   95   2.62 +/- 0.13  99.981% * 99.8140% (0.87   3.44  73.50) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.99 +/- 0.20   0.019% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 4.0, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.20 +/- 0.00  99.994% * 99.8765% (0.80   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.26 +/- 0.28   0.006% *  0.1235% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.00 100.000% *100.0000% (0.53   4.33  73.50) = 100.000%  kept
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.34 +/- 0.03  99.997% * 99.7868% (0.87   3.00  73.50) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  13.15 +/- 0.25   0.003% *  0.2132% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.5:
      O   QD    PHE   95 - HB3   PHE   95   2.76 +/- 0.01  99.986% * 99.8068% (0.87   3.31  73.50) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.20 +/- 0.33   0.014% *  0.1932% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.19, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.55 +/- 0.03 100.000% *100.0000% (0.53   4.19  73.50) = 100.000%  kept
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.89 +/- 0.10 100.000% *100.0000% (0.53   3.86  73.50) = 100.000%  kept
    Distance limit 3.96 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 = 0.81, support = 0.0194, residual support = 39.9:
          QG2   VAL  107 - HB3   PHE   95   4.53 +/- 0.45  94.658% * 21.5607% (0.84   0.02  41.09) =  97.001%  kept
          HG13  ILE  119 - HB3   PHE   95   7.87 +/- 0.38   3.950% * 10.6120% (0.41   0.02   0.02) =   1.992%
          HG2   LYS+ 121 - HB3   PHE   95  11.81 +/- 0.45   0.336% * 25.3018% (0.98   0.02   0.02) =   0.403%
          HG13  ILE  103 - HB3   PHE   95  10.22 +/- 0.36   0.826% *  9.6879% (0.38   0.02   0.02) =   0.380%
          QB    ALA   20 - HB3   PHE   95  13.16 +/- 0.42   0.182% * 23.1498% (0.90   0.02   0.02) =   0.201%
          HB3   LEU   31 - HB3   PHE   95  16.28 +/- 0.28   0.049% *  9.6879% (0.38   0.02   0.02) =   0.023%
    Distance limit 4.41 A violated in 17 structures by 0.24 A, eliminated.
    Peak unassigned.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.589, support = 0.75, residual support = 1.64:
          QD1   LEU   63 - HB3   PHE   95   3.91 +/- 0.07  94.952% * 36.5259% (0.57   0.75   1.25) =  93.110%  kept
          QD2   LEU  115 - HB3   PHE   95   6.68 +/- 0.49   4.436% * 57.6768% (0.90   0.75   6.81) =   6.869%  kept
          QD1   LEU  104 - HB3   PHE   95  10.26 +/- 0.44   0.307% *  1.7204% (1.00   0.02   0.02) =   0.014%
          QD1   LEU   73 - HB3   PHE   95  11.03 +/- 0.29   0.191% *  0.9740% (0.57   0.02   0.02) =   0.005%
          QD2   LEU   80 - HB3   PHE   95  16.11 +/- 1.16   0.023% *  1.5881% (0.92   0.02   0.02) =   0.001%
          QG2   ILE   89 - HB3   PHE   95  12.76 +/- 0.46   0.080% *  0.2655% (0.15   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   PHE   95  17.85 +/- 1.06   0.011% *  1.2493% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 0.75, residual support = 1.48:
          QG1   VAL   42 - HB3   PHE   95   4.04 +/- 0.41  97.626% * 93.8162% (0.65   0.75   1.48) =  99.949%  kept
          QB    ALA   64 - HB3   PHE   95   8.02 +/- 0.29   1.806% *  2.0347% (0.53   0.02   0.02) =   0.040%
          HG2   LYS+ 112 - HB3   PHE   95  10.53 +/- 0.74   0.411% *  1.1936% (0.31   0.02   0.02) =   0.005%
          QB    ALA   47 - HB3   PHE   95  12.17 +/- 0.30   0.158% *  2.9555% (0.76   0.02   0.02) =   0.005%
    Distance limit 4.15 A violated in 5 structures by 0.13 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 2.63, residual support = 41.1:
          QG2   VAL  107 - HB2   PHE   95   3.56 +/- 0.54  98.899% * 92.3293% (0.34   2.63  41.09) =  99.981%  kept
          HG13  ILE  119 - HB2   PHE   95   8.33 +/- 0.44   0.791% *  1.8446% (0.90   0.02   0.02) =   0.016%
          HG2   LYS+ 121 - HB2   PHE   95  10.94 +/- 0.36   0.147% *  1.1645% (0.57   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HB2   PHE   95  11.98 +/- 0.84   0.097% *  0.5719% (0.28   0.02   0.02) =   0.001%
          QB    ALA   20 - HB2   PHE   95  14.50 +/- 0.38   0.027% *  1.8986% (0.92   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   PHE   95  16.70 +/- 0.32   0.011% *  1.7841% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  14.83 +/- 1.35   0.027% *  0.4070% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 4.31, residual support = 41.1:
        T HB    VAL  107 - HB2   PHE   95   2.52 +/- 0.52  99.872% * 98.5513% (0.80   4.31  41.09) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   9.64 +/- 0.24   0.069% *  0.2142% (0.38   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95   9.81 +/- 0.38   0.054% *  0.2142% (0.38   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  16.96 +/- 0.58   0.002% *  0.3921% (0.69   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  19.64 +/- 0.64   0.001% *  0.5400% (0.95   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.28 +/- 0.68   0.002% *  0.0881% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 2 structures by 0.05 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - QG2   THR   94   7.68 +/- 0.54  64.562% * 49.6466% (0.92   0.02   0.02) =  79.200%  kept
          QG2   VAL   83 - QG2   THR   94   9.96 +/- 1.44  15.575% * 36.9429% (0.69   0.02   0.02) =  14.218%  kept
          QD2   LEU   31 - QG2   THR   94   9.40 +/- 0.40  19.863% * 13.4105% (0.25   0.02   0.02) =   6.582%  kept
    Distance limit 3.47 A violated in 20 structures by 3.66 A, eliminated.
    Peak unassigned.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.14, residual support = 2.27:
        T HA    LYS+ 106 - HA    MET   96   2.34 +/- 0.20 100.000% *100.0000% (0.97   1.14   2.27) = 100.000%  kept
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 45.6:
      O   HN    PHE   97 - HA    MET   96   2.27 +/- 0.02  99.990% * 99.5705% (0.88   6.07  45.59) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  11.13 +/- 0.65   0.008% *  0.3278% (0.88   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  14.28 +/- 0.61   0.002% *  0.1016% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 115.5:
      O   HN    MET   96 - HA    MET   96   2.92 +/- 0.00 100.000% *100.0000% (0.63   4.09 115.51) = 100.000%  kept
    Distance limit 4.17 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 = 1.98, residual support = 9.85:
        T QE    PHE   45 - HB2   MET   96   3.74 +/- 0.11  99.055% * 97.0732% (0.49   1.98   9.85) =  99.986%  kept
          QD    PHE   72 - HB2   MET   96   8.56 +/- 0.22   0.710% *  1.3854% (0.69   0.02   0.02) =   0.010%
        T HZ    PHE   72 - HB2   MET   96  10.28 +/- 0.30   0.235% *  1.5414% (0.76   0.02   0.02) =   0.004%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 45.6:
          HN    PHE   97 - HB2   MET   96   4.01 +/- 0.09  99.837% * 99.4519% (0.92   6.07  45.59) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  13.51 +/- 0.65   0.072% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  12.99 +/- 0.49   0.090% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  27.89 +/- 2.30   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.06, residual support = 115.5:
      O   HN    MET   96 - HB2   MET   96   2.61 +/- 0.08 100.000% *100.0000% (0.65   4.06 115.51) = 100.000%  kept
    Distance limit 4.15 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 = 0.71, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  11.36 +/- 0.33  28.025% * 81.6578% (0.99   0.02   0.02) =  63.416%  kept
          QD    PHE   72 - HB3   MET   96   9.69 +/- 0.22  71.975% * 18.3422% (0.22   0.02   0.02) =  36.584%  kept
    Distance limit 4.08 A violated in 20 structures by 5.09 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 = 115.5:
      O   HN    MET   96 - HB3   MET   96   2.77 +/- 0.08 100.000% *100.0000% (0.65   3.97 115.51) = 100.000%  kept
    Distance limit 4.07 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 = 0.726, support = 2.0, residual support = 16.4:
          QG1   VAL   43 - HB2   MET   96   2.84 +/- 0.50  99.027% * 94.5898% (0.73   2.00  16.41) =  99.991%  kept
          QG1   VAL   41 - HB2   MET   96   6.83 +/- 0.39   0.684% *  0.6853% (0.53   0.02   0.02) =   0.005%
          QD2   LEU  104 - HB2   MET   96   9.11 +/- 0.59   0.130% *  1.0431% (0.80   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   MET   96  10.02 +/- 0.37   0.074% *  1.2768% (0.98   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB2   MET   96  10.44 +/- 0.92   0.067% *  1.2025% (0.92   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB2   MET   96  12.42 +/- 0.21   0.019% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.862, support = 0.0187, residual support = 0.0187:
          QD2   LEU   31 - HB2   MET   96   7.30 +/- 0.25  92.297% * 36.4416% (0.92   0.02   0.02) =  93.408%  kept
          QD1   ILE   89 - HB2   MET   96  12.21 +/- 0.72   4.647% * 27.1168% (0.69   0.02   0.02) =   3.500%
          QG2   VAL   83 - HB2   MET   96  13.09 +/- 1.09   3.056% * 36.4416% (0.92   0.02   0.02) =   3.092%
    Distance limit 4.42 A violated in 20 structures by 2.88 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.619, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - HB3   MET   96  11.26 +/- 0.63  64.602% * 62.5588% (0.69   0.02   0.02) =  75.304%  kept
          QG2   VAL   83 - HB3   MET   96  12.62 +/- 1.24  35.398% * 37.4412% (0.41   0.02   0.02) =  24.696%  kept
    Distance limit 4.36 A violated in 20 structures by 6.07 A, eliminated.
    Peak unassigned.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 45.6:
          HN    PHE   97 - HG2   MET   96   3.03 +/- 0.49  99.926% * 99.1286% (0.92   5.60  45.59) = 100.000%  kept
          HN    LEU  115 - HG2   MET   96  13.49 +/- 0.81   0.018% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    LEU  115 - HB2   PRO   52  12.43 +/- 0.77   0.036% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  13.75 +/- 0.91   0.018% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  20.12 +/- 0.82   0.002% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  29.90 +/- 2.29   0.000% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  37.02 +/- 2.06   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.40 +/- 0.84   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.07, residual support = 45.6:
          HN    PHE   97 - HG3   MET   96   2.79 +/- 0.53  99.986% * 99.5703% (0.54   6.07  45.59) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.00 +/- 0.72   0.011% *  0.3280% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.10 +/- 0.79   0.003% *  0.1017% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.422, support = 2.01, residual support = 7.43:
          HG13  ILE  103 - HG2   MET   96   3.44 +/- 0.39  82.966% * 35.9924% (0.25   2.33   9.12) =  76.716%  kept
          QG2   THR   94 - HG2   MET   96   4.83 +/- 0.56  15.337% * 59.0617% (0.99   0.96   1.87) =  23.271%  kept
          HD2   LYS+ 112 - HB2   PRO   52   8.35 +/- 1.20   1.255% *  0.3158% (0.25   0.02   0.02) =   0.010%
          HB3   LYS+ 112 - HB2   PRO   52   9.86 +/- 0.63   0.186% *  0.3569% (0.29   0.02   0.02) =   0.002%
          HB3   LEU   71 - HG2   MET   96  13.82 +/- 0.66   0.023% *  0.9925% (0.80   0.02   0.02) =   0.001%
          QG2   THR   94 - HB2   PRO   52  12.23 +/- 0.78   0.050% *  0.3609% (0.29   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   PRO   52  10.27 +/- 0.93   0.154% *  0.0562% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG2   MET   96  18.33 +/- 0.66   0.004% *  1.2149% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  14.07 +/- 0.95   0.021% *  0.1912% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  19.01 +/- 1.18   0.004% *  1.0751% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  26.24 +/- 0.93   0.000% *  0.2915% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  22.85 +/- 0.99   0.001% *  0.0908% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.9, support = 2.72, residual support = 9.12:
          QG2   ILE  103 - HG2   MET   96   3.91 +/- 0.51  55.108% * 74.5991% (1.00   2.94   9.12) =  80.970%  kept
          QD1   ILE  103 - HG2   MET   96   4.00 +/- 0.84  43.064% * 22.4173% (0.49   1.81   9.12) =  19.014%  kept
          QD2   LEU   40 - HG2   MET   96   6.81 +/- 0.59   1.500% *  0.4816% (0.95   0.02   0.02) =   0.014%
          QD1   LEU   67 - HG2   MET   96  10.20 +/- 0.52   0.130% *  0.4913% (0.97   0.02   0.02) =   0.001%
          HB    VAL   75 - HG2   MET   96  10.96 +/- 0.47   0.097% *  0.1911% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG2   MET   96  13.32 +/- 0.56   0.026% *  0.3088% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG2   MET   96  15.23 +/- 0.39   0.013% *  0.5046% (0.99   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  14.14 +/- 0.50   0.019% *  0.1571% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  16.10 +/- 0.62   0.009% *  0.1482% (0.29   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  14.86 +/- 0.56   0.015% *  0.0462% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  18.13 +/- 0.57   0.005% *  0.1443% (0.28   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  19.00 +/- 0.77   0.004% *  0.1492% (0.29   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  19.79 +/- 0.61   0.003% *  0.1415% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  17.60 +/- 0.66   0.005% *  0.0561% (0.11   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  20.26 +/- 1.07   0.002% *  0.0728% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  21.98 +/- 0.56   0.001% *  0.0907% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.238, support = 0.722, residual support = 0.484:
          HG    LEU   98 - HG3   MET   96   4.18 +/- 1.34  59.308% * 58.6116% (0.25   0.77   0.49) =  90.798%  kept
          QB    LEU   98 - HG3   MET   96   4.48 +/- 0.63  33.576% *  9.7422% (0.14   0.24   0.49) =   8.544%  kept
          HG3   LYS+ 106 - HG3   MET   96   5.96 +/- 0.56   5.802% *  3.6819% (0.61   0.02   2.27) =   0.558%
          HB    VAL   42 - HG3   MET   96   8.34 +/- 0.52   0.600% *  3.3094% (0.54   0.02   0.02) =   0.052%
          HB3   LEU   73 - HG3   MET   96   9.45 +/- 0.84   0.325% *  3.4907% (0.57   0.02   0.02) =   0.030%
          HG3   LYS+ 102 - HG3   MET   96  11.28 +/- 0.78   0.097% *  3.5612% (0.59   0.02   0.02) =   0.009%
          HB3   ASP-  44 - HG3   MET   96  10.13 +/- 0.44   0.187% *  0.7303% (0.12   0.02   0.02) =   0.004%
          HB3   PRO   93 - HG3   MET   96  12.51 +/- 0.48   0.057% *  2.0891% (0.34   0.02   0.02) =   0.003%
          QB    ALA   84 - HG3   MET   96  15.34 +/- 0.67   0.017% *  1.9414% (0.32   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HG3   MET   96  16.67 +/- 1.39   0.010% *  3.0822% (0.51   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HG3   MET   96  18.61 +/- 0.61   0.005% *  3.6574% (0.60   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   MET   96  18.98 +/- 0.46   0.004% *  3.3094% (0.54   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   MET   96  17.21 +/- 0.68   0.008% *  1.1389% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   MET   96  23.20 +/- 2.39   0.002% *  1.6544% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.207, support = 2.19, residual support = 8.22:
          HG13  ILE  103 - HG3   MET   96   3.34 +/- 0.37  92.913% * 33.7778% (0.15   2.34   9.12) =  87.636%  kept
          QG2   THR   94 - HG3   MET   96   5.40 +/- 0.30   7.030% * 62.9792% (0.60   1.10   1.87) =  12.363%  kept
          HB3   LEU   71 - HG3   MET   96  12.85 +/- 0.84   0.036% *  0.9266% (0.49   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG3   MET   96  18.80 +/- 0.63   0.003% *  1.1342% (0.59   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HG3   MET   96  19.41 +/- 1.15   0.003% *  1.0037% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  14.84 +/- 0.97   0.015% *  0.1785% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.535, support = 2.7, residual support = 9.11:
          QG2   ILE  103 - HG3   MET   96   4.06 +/- 0.43  48.003% * 75.4919% (0.61   2.97   9.12) =  77.540%  kept
          QD1   ILE  103 - HG3   MET   96   4.04 +/- 0.68  46.815% * 22.3699% (0.30   1.80   9.12) =  22.408%  kept
          QD2   LEU   40 - HG3   MET   96   6.11 +/- 0.53   4.677% *  0.4824% (0.57   0.02   0.02) =   0.048%
          QD1   LEU   67 - HG3   MET   96   9.71 +/- 0.52   0.255% *  0.4922% (0.59   0.02   0.02) =   0.003%
          HB    VAL   75 - HG3   MET   96  10.74 +/- 0.58   0.148% *  0.1914% (0.23   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  12.54 +/- 0.51   0.057% *  0.3093% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG3   MET   96  14.89 +/- 0.56   0.020% *  0.5055% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  14.12 +/- 0.36   0.025% *  0.1574% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.42, residual support = 10.9:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.00 100.000% *100.0000% (0.80   3.42  10.86) = 100.000%  kept
    Distance limit 3.06 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 = 4.73, residual support = 62.6:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.00  99.987% * 99.4489% (0.90   4.73  62.58) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  13.66 +/- 0.65   0.010% *  0.4207% (0.90   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.20 +/- 0.56   0.003% *  0.1304% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 62.6:
      O T QD    PHE   97 - HB2   PHE   97   2.50 +/- 0.05 100.000% * 99.3176% (0.45   2.44  62.58) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  22.91 +/- 0.83   0.000% *  0.6824% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 7.73, residual support = 60.3:
          HN    ASP- 105 - HB2   PHE   97   2.01 +/- 0.09 100.000% * 99.8975% (0.95   7.73  60.31) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  25.71 +/- 0.54   0.000% *  0.1025% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 4.84, residual support = 62.6:
      O   HN    PHE   97 - HB2   PHE   97   2.44 +/- 0.04  99.991% * 99.4611% (0.90   4.84  62.58) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  11.94 +/- 0.55   0.008% *  0.4113% (0.90   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.48 +/- 0.56   0.002% *  0.1275% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 3.8, residual support = 60.3:
        T HB3   ASP- 105 - HB2   PHE   97   2.14 +/- 0.22  98.996% * 95.8694% (0.99   3.80  60.31) =  99.996%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.18 +/- 0.22   0.597% *  0.4074% (0.80   0.02  12.36) =   0.003%
          HB    ILE  103 - HB2   PHE   97   6.60 +/- 0.23   0.136% *  0.5087% (1.00   0.02   2.32) =   0.001%
          HG12  ILE  103 - HB2   PHE   97   5.95 +/- 0.57   0.264% *  0.1007% (0.20   0.02   2.32) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  15.02 +/- 0.46   0.001% *  0.4813% (0.95   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  13.98 +/- 0.36   0.002% *  0.2092% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PHE   97  16.59 +/- 0.42   0.001% *  0.5076% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  13.54 +/- 0.79   0.002% *  0.1269% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  14.34 +/- 0.25   0.001% *  0.1909% (0.38   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.67 +/- 0.43   0.000% *  0.5076% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  19.17 +/- 0.73   0.000% *  0.2092% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  23.78 +/- 0.98   0.000% *  0.4249% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  23.61 +/- 0.30   0.000% *  0.4563% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.301, support = 4.12, residual support = 12.9:
        T HB2   LEU  104 - HB2   PHE   97   3.28 +/- 0.27  51.672% * 55.0718% (0.31   4.74  17.18) =  72.040%  kept
          QG2   ILE  103 - HB2   PHE   97   3.63 +/- 0.29  30.095% * 27.8869% (0.25   2.97   2.32) =  21.246%  kept
          QD2   LEU   40 - HB2   PHE   97   3.98 +/- 0.29  17.280% * 15.3345% (0.38   1.09   0.94) =   6.708%  kept
          QD1   LEU   67 - HB2   PHE   97   6.68 +/- 0.41   0.790% *  0.2569% (0.34   0.02   0.02) =   0.005%
          QD1   ILE  119 - HB2   PHE   97  10.95 +/- 0.28   0.038% *  0.4567% (0.61   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   PHE   97   9.44 +/- 1.03   0.114% *  0.1490% (0.20   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  14.22 +/- 0.41   0.008% *  0.7123% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  16.30 +/- 0.50   0.003% *  0.1319% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.301, support = 2.93, residual support = 14.8:
          HB2   LEU  104 - HB3   PHE   97   2.27 +/- 0.17  61.202% * 75.4121% (0.29   3.30  17.18) =  85.554%  kept
        T QD2   LEU   40 - HB3   PHE   97   2.49 +/- 0.33  37.335% * 20.8590% (0.36   0.75   0.94) =  14.436%  kept
          QG2   ILE  103 - HB3   PHE   97   4.55 +/- 0.32   1.177% *  0.3696% (0.24   0.02   2.32) =   0.008%
          QD1   LEU   67 - HB3   PHE   97   5.75 +/- 0.40   0.274% *  0.5055% (0.32   0.02   0.02) =   0.003%
          QD1   ILE  119 - HB3   PHE   97  11.28 +/- 0.27   0.004% *  0.8989% (0.57   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   PHE   97  10.85 +/- 1.00   0.007% *  0.2933% (0.19   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   PHE   97  14.49 +/- 0.48   0.001% *  1.4020% (0.89   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.23 +/- 0.51   0.000% *  0.2596% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.6:
      O T QD    PHE   97 - HB3   PHE   97   2.33 +/- 0.03 100.000% * 99.1444% (0.87   2.74  62.58) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  24.20 +/- 0.84   0.000% *  0.6809% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  26.16 +/- 0.75   0.000% *  0.1748% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 5.4, residual support = 60.3:
          HN    ASP- 105 - HB3   PHE   97   2.90 +/- 0.23  99.999% * 99.0636% (0.46   5.40  60.31) = 100.000%  kept
          HN    PHE   55 - HB3   PHE   97  19.70 +/- 0.31   0.001% *  0.2828% (0.36   0.02   0.02) =   0.000%
          HN    ALA   88 - HB3   PHE   97  26.82 +/- 0.46   0.000% *  0.6536% (0.82   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 5.19, residual support = 62.6:
      O   HN    PHE   97 - HB3   PHE   97   3.61 +/- 0.04  99.945% * 99.4974% (0.85   5.19  62.58) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  13.17 +/- 0.59   0.045% *  0.3836% (0.85   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.80 +/- 0.55   0.010% *  0.1189% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.723, support = 2.27, residual support = 60.3:
          HB3   ASP- 105 - HB3   PHE   97   3.43 +/- 0.19  96.787% * 91.0497% (0.72   2.27  60.31) =  99.967%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.62 +/- 0.25   1.970% *  1.0305% (0.93   0.02  12.36) =   0.023%
          HB    ILE  103 - HB3   PHE   97   7.27 +/- 0.24   1.102% *  0.7222% (0.65   0.02   2.32) =   0.009%
          HB3   LYS+  38 - HB3   PHE   97  12.10 +/- 0.72   0.057% *  0.7634% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   PHE   97  13.91 +/- 0.48   0.023% *  0.9119% (0.82   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   PHE   97  15.27 +/- 0.31   0.013% *  0.9119% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   PHE   97  14.27 +/- 0.32   0.020% *  0.5531% (0.50   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   PHE   97  15.17 +/- 0.39   0.014% *  0.6801% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  17.68 +/- 0.31   0.005% *  0.3946% (0.36   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB3   PHE   97  17.13 +/- 0.24   0.007% *  0.2341% (0.21   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  22.18 +/- 0.44   0.001% *  0.7634% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  24.34 +/- 0.93   0.001% *  1.0146% (0.91   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  24.74 +/- 0.29   0.001% *  0.9705% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.256, support = 4.68, residual support = 27.4:
          HG12  ILE  103 - HA    LEU   98   3.34 +/- 0.58  82.417% * 63.5533% (0.25   4.87  27.46) =  94.082%  kept
          HB    VAL   41 - HA    LEU   98   6.41 +/- 1.44  10.310% * 31.2311% (0.38   1.59  27.91) =   5.784%  kept
          QB    LYS+ 102 - HA    LEU   98   5.18 +/- 0.32   7.146% *  1.0253% (0.98   0.02   0.90) =   0.132%
          HB2   LEU   71 - HA    LEU   98  10.56 +/- 0.31   0.101% *  1.0437% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HA    LEU   98  14.21 +/- 0.34   0.016% *  0.5922% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.03 +/- 0.21   0.005% *  1.0461% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.75 +/- 0.27   0.003% *  0.8737% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  19.53 +/- 0.80   0.002% *  0.6345% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 3.05, residual support = 27.5:
          HA    ILE  103 - HA    LEU   98   1.88 +/- 0.11  99.644% * 94.2773% (0.73   3.05  27.46) =  99.999%  kept
          HA    LEU  104 - HA    LEU   98   4.91 +/- 0.17   0.347% *  0.2367% (0.28   0.02   6.99) =   0.001%
          HA    THR   39 - HA    LEU   98   9.31 +/- 0.27   0.007% *  0.2367% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    LEU   98  12.18 +/- 0.21   0.001% *  0.7634% (0.90   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  19.78 +/- 0.38   0.000% *  0.7110% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  21.92 +/- 1.63   0.000% *  0.5507% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  22.88 +/- 0.72   0.000% *  0.2904% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  26.92 +/- 2.36   0.000% *  0.6505% (0.76   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  27.43 +/- 0.45   0.000% *  0.7110% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  29.10 +/- 2.61   0.000% *  0.7858% (0.92   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  28.01 +/- 0.88   0.000% *  0.6181% (0.73   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.75 +/- 0.64   0.000% *  0.1685% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.78, residual support = 4.76:
          HN    ASP- 105 - HA    LEU   98   4.17 +/- 0.10  99.998% * 99.7907% (0.95   3.78   4.76) = 100.000%  kept
          HN    ALA   88 - HA    LEU   98  26.49 +/- 0.52   0.002% *  0.2093% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.04, residual support = 16.3:
      O   HN    LYS+  99 - HA    LEU   98   2.27 +/- 0.05  99.956% * 99.0012% (0.80   4.04  16.31) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98   9.59 +/- 2.65   0.033% *  0.4440% (0.73   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  10.45 +/- 0.52   0.011% *  0.2086% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.54 +/- 1.58   0.000% *  0.3462% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 3.16, residual support = 6.99:
          HN    LEU  104 - HA    LEU   98   2.29 +/- 0.16  99.996% * 99.5861% (0.92   3.16   6.99) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  12.36 +/- 0.16   0.004% *  0.4139% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.14, residual support = 78.9:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.98   5.14  78.90) = 100.000%  kept
    Distance limit 4.02 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 = 0.532, support = 3.62, residual support = 27.5:
          HG12  ILE  103 - QB    LEU   98   2.63 +/- 0.54  71.116% * 57.0937% (0.56   3.67  27.46) =  79.098%  kept
        T HB    VAL   41 - QB    LEU   98   4.33 +/- 1.44  26.896% * 39.8701% (0.42   3.41  27.91) =  20.890%  kept
          HB    ILE  103 - QB    LEU   98   4.76 +/- 0.25   1.640% *  0.3302% (0.60   0.02  27.46) =   0.011%
        T QB    LYS+ 106 - QB    LEU   98   6.54 +/- 0.39   0.233% *  0.1484% (0.27   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QB    LEU   98   7.71 +/- 0.30   0.087% *  0.2916% (0.53   0.02   4.76) =   0.000%
        T QB    LYS+  33 - QB    LEU   98  10.00 +/- 0.54   0.023% *  0.2340% (0.42   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.68 +/- 0.31   0.003% *  0.1484% (0.27   0.02   0.02) =   0.000%
          HG3   PRO   68 - QB    LEU   98  16.47 +/- 0.32   0.001% *  0.3490% (0.63   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  17.65 +/- 0.31   0.001% *  0.4311% (0.78   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  20.79 +/- 0.69   0.000% *  0.4311% (0.78   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.50 +/- 0.45   0.000% *  0.3110% (0.56   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  20.29 +/- 0.83   0.000% *  0.1640% (0.30   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  22.20 +/- 0.44   0.000% *  0.1976% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.7, residual support = 16.3:
          HN    LYS+  99 - QB    LEU   98   3.13 +/- 0.26  99.331% * 97.2517% (0.27   3.70  16.31) =  99.992%  kept
          HN    ASN   35 - QB    LEU   98   7.74 +/- 0.65   0.504% *  1.4221% (0.72   0.02   0.02) =   0.007%
          HE1   HIS  122 - QB    LEU   98  10.01 +/- 2.28   0.163% *  0.4245% (0.22   0.02   0.02) =   0.001%
          HN    GLU-  14 - QB    LEU   98  19.57 +/- 1.57   0.002% *  0.2627% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  23.94 +/- 2.38   0.001% *  0.6390% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.99, residual support = 27.9:
          HN    VAL   41 - QB    LEU   98   3.95 +/- 0.16 100.000% *100.0000% (0.85   2.99  27.91) = 100.000%  kept
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.02, residual support = 78.9:
      O   HN    LEU   98 - QB    LEU   98   2.93 +/- 0.24 100.000% *100.0000% (0.85   5.02  78.90) = 100.000%  kept
    Distance limit 3.71 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 = 78.9:
      O   HA    LEU   98 - HG    LEU   98   3.32 +/- 0.37 100.000% *100.0000% (0.69   4.04  78.90) = 100.000%  kept
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.89, residual support = 78.9:
          HN    LEU   98 - HG    LEU   98   2.95 +/- 0.81 100.000% *100.0000% (0.98   3.89  78.90) = 100.000%  kept
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 3.54, residual support = 27.5:
        T HA    ILE  103 - QD1   LEU   98   2.94 +/- 0.36  98.722% * 89.2889% (0.25   3.54  27.46) =  99.979%  kept
        T HA    LEU  104 - QD1   LEU   98   6.33 +/- 0.44   1.041% *  1.5466% (0.76   0.02   6.99) =   0.018%
          HA    ASP-  44 - QD1   LEU   98   9.07 +/- 1.62   0.221% *  0.8320% (0.41   0.02   0.02) =   0.002%
          HB    THR   77 - QD1   LEU   98  14.38 +/- 1.56   0.011% *  0.6903% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  18.87 +/- 1.76   0.002% *  2.0193% (1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   98  20.80 +/- 1.06   0.001% *  2.0193% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  23.11 +/- 2.35   0.001% *  2.0059% (0.99   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  20.43 +/- 1.23   0.001% *  0.6903% (0.34   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  25.10 +/- 2.47   0.000% *  0.9073% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.766, support = 0.0199, residual support = 0.0199:
          HD1   TRP   27 - QD1   LEU   98  10.25 +/- 0.93  45.096% * 33.8723% (0.84   0.02   0.02) =  51.551%  kept
          QD    PHE   59 - QD1   LEU   98  11.37 +/- 1.31  25.300% * 33.8723% (0.84   0.02   0.02) =  28.921%  kept
          HE21  GLN   30 - QD1   LEU   98  11.04 +/- 1.06  28.811% * 19.7390% (0.49   0.02   0.02) =  19.193%  kept
          HH2   TRP   49 - QD1   LEU   98  20.33 +/- 1.94   0.793% * 12.5164% (0.31   0.02   0.02) =   0.335%
    Distance limit 3.99 A violated in 20 structures by 4.96 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.43, residual support = 19.2:
        T QD1   LEU  104 - HB2   LYS+  99   2.08 +/- 0.22  99.988% * 97.7312% (0.69   3.43  19.19) = 100.000%  kept
        T QD1   LEU   63 - HB2   LYS+  99  10.91 +/- 0.64   0.006% *  0.1281% (0.15   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LYS+  99  11.86 +/- 0.64   0.004% *  0.1281% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  15.29 +/- 0.62   0.001% *  0.3414% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  22.05 +/- 1.29   0.000% *  0.8286% (1.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  20.65 +/- 0.57   0.000% *  0.4702% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  20.62 +/- 1.04   0.000% *  0.3723% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 1.83, residual support = 15.5:
        T QD2   LEU   40 - HB2   LYS+  99   3.46 +/- 0.42  95.622% * 94.8308% (0.95   1.84  15.55) =  99.957%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.76 +/- 0.22   2.115% *  1.0901% (1.00   0.02   0.02) =   0.025%
          QD1   LEU   67 - HB2   LYS+  99   7.89 +/- 0.72   0.789% *  1.0544% (0.97   0.02   0.02) =   0.009%
          QD1   ILE  103 - HB2   LYS+  99   7.48 +/- 0.68   1.354% *  0.5318% (0.49   0.02   0.02) =   0.008%
          QD2   LEU   71 - HB2   LYS+  99  11.25 +/- 0.43   0.090% *  0.6627% (0.61   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  99  14.44 +/- 0.55   0.021% *  0.3372% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  19.92 +/- 0.73   0.003% *  1.0829% (0.99   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  17.82 +/- 0.53   0.006% *  0.4101% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.75, residual support = 169.8:
      O   HN    LYS+  99 - HB2   LYS+  99   2.91 +/- 0.15  99.682% * 97.8448% (0.31   4.75 169.85) =  99.998%  kept
          HE1   HIS  122 - HB2   LYS+  99   9.10 +/- 2.87   0.262% *  0.3329% (0.25   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   LYS+  99  10.44 +/- 0.41   0.055% *  1.1152% (0.84   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   LYS+  99  21.11 +/- 1.39   0.001% *  0.2060% (0.15   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  25.63 +/- 2.23   0.000% *  0.5011% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 5.05, residual support = 169.8:
      O   HN    LYS+  99 - HA    LYS+  99   2.89 +/- 0.02  99.599% * 99.1985% (0.80   5.05 169.85) =  99.999%  kept
          HN    ASN   35 - HA    LYS+  99   7.57 +/- 0.34   0.322% *  0.1674% (0.34   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  99  10.44 +/- 2.64   0.078% *  0.3563% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  19.59 +/- 1.63   0.001% *  0.2778% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 6.72, residual support = 40.1:
      O   HN    GLU- 100 - HA    LYS+  99   2.20 +/- 0.02 100.000% *100.0000% (0.84   6.72  40.05) = 100.000%  kept
    Distance limit 3.31 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 = 0.87, support = 5.34, residual support = 177.2:
      O   QE    LYS+  99 - HG2   LYS+  99   2.45 +/- 0.50  52.204% * 81.4230% (0.99   5.49 169.85) =  83.477%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.49 +/- 0.47  47.667% * 17.6498% (0.26   4.58 214.56) =  16.522%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.65 +/- 0.84   0.054% *  0.2829% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   7.60 +/- 0.74   0.047% *  0.0808% (0.27   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   9.52 +/- 0.70   0.012% *  0.2286% (0.76   0.02   0.43) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.42 +/- 0.21   0.012% *  0.1020% (0.34   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  12.28 +/- 1.86   0.004% *  0.0623% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  16.91 +/- 0.80   0.000% *  0.1122% (0.38   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  15.47 +/- 0.53   0.001% *  0.0278% (0.09   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.53 +/- 0.90   0.000% *  0.0306% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 7.08, residual support = 169.8:
      O T HA    LYS+  99 - HG2   LYS+  99   2.67 +/- 0.31  76.508% * 97.7686% (0.84   7.08 169.85) =  99.947%  kept
          HA    LEU   40 - HG2   LYS+  99   3.42 +/- 0.55  18.801% *  0.1872% (0.57   0.02  15.55) =   0.047%
          HA    ASN   35 - HG2   LYS+  38   4.66 +/- 0.73   4.137% *  0.0853% (0.26   0.02   0.02) =   0.005%
          HA    ASN   35 - HG2   LYS+  99   7.05 +/- 0.49   0.249% *  0.3128% (0.95   0.02   0.02) =   0.001%
        T HA    LYS+  99 - HG2   LYS+  38   7.51 +/- 0.78   0.212% *  0.0753% (0.23   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.76 +/- 0.29   0.072% *  0.0510% (0.15   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  16.37 +/- 0.50   0.002% *  0.3300% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  16.46 +/- 2.38   0.013% *  0.0338% (0.10   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  15.75 +/- 1.32   0.002% *  0.1241% (0.38   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  22.35 +/- 0.41   0.000% *  0.3192% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  20.43 +/- 1.83   0.001% *  0.1241% (0.38   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  19.91 +/- 3.25   0.002% *  0.0338% (0.10   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.29 +/- 0.40   0.000% *  0.1360% (0.41   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  22.47 +/- 0.98   0.000% *  0.0899% (0.27   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  24.74 +/- 0.76   0.000% *  0.1610% (0.49   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.72 +/- 1.09   0.000% *  0.0870% (0.26   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  27.20 +/- 1.45   0.000% *  0.0371% (0.11   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  31.12 +/- 0.95   0.000% *  0.0439% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.638, support = 0.0188, residual support = 1.22:
          HA    LEU   40 - HA    GLU- 100   6.62 +/- 0.32  14.001% * 11.5542% (0.80   0.02   0.02) =  58.132%  kept
          HA    SER   37 - HA    GLU- 100   8.21 +/- 1.45   5.478% * 11.0274% (0.76   0.02   0.02) =  21.710%  kept
          HA    SER   37 - HA    LYS+  38   5.17 +/- 0.15  59.932% *  0.6663% (0.05   0.02   8.40) =  14.351%  kept
          HA    LEU   40 - HA    LYS+  38   6.28 +/- 0.30  19.440% *  0.6982% (0.05   0.02   0.02) =   4.878%
          HA    VAL   42 - HA    GLU- 100  11.94 +/- 0.41   0.406% *  3.2125% (0.22   0.02   0.02) =   0.469%
          HA    GLU-  15 - HA    GLU- 100  18.03 +/- 1.48   0.038% * 13.6497% (0.95   0.02   0.02) =   0.188%
          HA    GLN   17 - HA    GLU- 100  20.17 +/- 0.73   0.017% * 11.0274% (0.76   0.02   0.02) =   0.069%
          HA    SER   13 - HA    GLU- 100  22.39 +/- 2.19   0.011% * 13.6497% (0.95   0.02   0.02) =   0.055%
          HA    GLU-  15 - HA    LYS+  38  15.23 +/- 1.76   0.122% *  0.8248% (0.06   0.02   0.02) =   0.036%
          HA    VAL   42 - HA    LYS+  38  11.83 +/- 0.33   0.426% *  0.1941% (0.01   0.02   0.02) =   0.030%
          HA    THR   46 - HA    GLU- 100  24.45 +/- 0.59   0.005% * 12.0525% (0.84   0.02   0.02) =   0.024%
        T HA    PRO   58 - HA    GLU- 100  25.72 +/- 0.35   0.004% * 13.3201% (0.92   0.02   0.02) =   0.019%
          HA    LEU  123 - HA    GLU- 100  20.71 +/- 0.56   0.015% *  2.8556% (0.20   0.02   0.02) =   0.015%
          HA    SER   13 - HA    LYS+  38  19.31 +/- 2.72   0.033% *  0.8248% (0.06   0.02   0.02) =   0.010%
          HA    GLN   17 - HA    LYS+  38  18.05 +/- 1.24   0.036% *  0.6663% (0.05   0.02   0.02) =   0.009%
          HA    ILE   56 - HA    GLU- 100  25.38 +/- 0.41   0.004% *  1.9528% (0.14   0.02   0.02) =   0.003%
          HA    THR   46 - HA    LYS+  38  24.23 +/- 0.38   0.006% *  0.7283% (0.05   0.02   0.02) =   0.001%
        T HA    PRO   58 - HA    LYS+  38  24.88 +/- 0.69   0.005% *  0.8049% (0.06   0.02   0.02) =   0.001%
          HA    LEU  123 - HA    LYS+  38  20.56 +/- 0.68   0.015% *  0.1726% (0.01   0.02   0.02) =   0.001%
          HA    ILE   56 - HA    LYS+  38  25.25 +/- 0.46   0.004% *  0.1180% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 20 structures by 0.85 A, eliminated.
    Peak unassigned.
 
    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   3.05 +/- 0.28  91.446% * 99.9687% (1.00   3.86  14.95) =  99.997%  kept
          HN    GLY  101 - HA    LYS+  38   5.44 +/- 1.78   8.554% *  0.0313% (0.06   0.02   0.02) =   0.003%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.9:
      O   HN    GLU- 100 - HA    GLU- 100   2.21 +/- 0.08  85.292% * 99.9811% (0.84   6.39  75.86) =  99.997%  kept
          HN    GLU- 100 - HA    LYS+  38   3.46 +/- 1.40  14.708% *  0.0189% (0.05   0.02   0.02) =   0.003%
    Distance limit 3.28 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 = 0.629, support = 0.0185, residual support = 0.0185:
          HA    VAL   70 - HB2   GLU- 100  11.96 +/- 0.26  21.751% * 11.7220% (0.84   0.02   0.02) =  37.737%  kept
        T HA    LYS+  33 - HB2   GLU- 100  13.28 +/- 1.06  11.392% * 14.0027% (1.00   0.02   0.02) =  23.610%  kept
          HB2   SER   37 - HB2   GLU- 100  10.90 +/- 1.23  39.598% *  2.7773% (0.20   0.02   0.02) =  16.277%  kept
        T HA    GLN   32 - HB2   GLU- 100  11.90 +/- 1.12  23.448% *  4.3315% (0.31   0.02   0.02) =  15.032%  kept
        T HA    GLU-  29 - HB2   GLU- 100  17.90 +/- 0.92   1.877% * 13.7559% (0.98   0.02   0.02) =   3.821%
          HA    VAL   18 - HB2   GLU- 100  19.19 +/- 0.44   1.295% * 13.5436% (0.97   0.02   0.02) =   2.596%
        T HA    GLN  116 - HB2   GLU- 100  23.89 +/- 1.08   0.369% * 11.7220% (0.84   0.02   0.02) =   0.640%
          HB2   SER   82 - HB2   GLU- 100  31.42 +/- 1.46   0.067% * 12.9548% (0.92   0.02   0.02) =   0.128%
          HA    SER   48 - HB2   GLU- 100  30.10 +/- 0.39   0.086% *  7.9453% (0.57   0.02   0.02) =   0.101%
          HA    ALA   88 - HB2   GLU- 100  33.47 +/- 0.56   0.045% *  4.7871% (0.34   0.02   0.02) =   0.032%
          HD2   PRO   52 - HB2   GLU- 100  31.05 +/- 0.68   0.073% *  2.4578% (0.18   0.02   0.02) =   0.026%
    Distance limit 3.85 A violated in 20 structures by 5.41 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.3, residual support = 40.0:
          HG2   LYS+  99 - HG2   GLU- 100   3.39 +/- 0.10  89.109% * 97.5088% (0.45   5.31  40.05) =  99.942%  kept
          HG2   LYS+  38 - HG2   GLU- 100   5.21 +/- 1.62  10.864% *  0.4641% (0.57   0.02   0.02) =   0.058%
          HB2   LEU   31 - HG2   GLU- 100  13.99 +/- 1.38   0.023% *  0.1436% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  21.06 +/- 0.89   0.002% *  0.8036% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  22.18 +/- 1.19   0.001% *  0.1622% (0.20   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  29.42 +/- 1.08   0.000% *  0.7352% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  25.57 +/- 1.03   0.001% *  0.1825% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.11, residual support = 40.1:
          HG2   LYS+  99 - HG3   GLU- 100   2.36 +/- 0.52  99.235% * 96.8103% (0.45   4.11  40.05) =  99.995%  kept
          HG2   LYS+  38 - HG3   GLU- 100   6.08 +/- 1.34   0.760% *  0.5943% (0.57   0.02   0.02) =   0.005%
          HB2   LEU   31 - HG3   GLU- 100  13.88 +/- 0.83   0.004% *  0.1838% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  20.28 +/- 0.34   0.000% *  1.0288% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  21.93 +/- 0.73   0.000% *  0.2077% (0.20   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  28.67 +/- 0.62   0.000% *  0.9413% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  24.28 +/- 0.88   0.000% *  0.2337% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.47, residual support = 75.8:
      O   HA    GLU- 100 - HG3   GLU- 100   3.10 +/- 0.38  84.823% * 98.8311% (1.00   4.47  75.86) =  99.984%  kept
          HA    LYS+  38 - HG3   GLU- 100   4.58 +/- 1.29  15.176% *  0.0877% (0.20   0.02   0.02) =   0.016%
          HD2   PRO   58 - HG3   GLU- 100  26.46 +/- 0.41   0.000% *  0.4393% (0.99   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   GLU- 100  29.94 +/- 1.30   0.000% *  0.4432% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.43 +/- 0.83   0.000% *  0.1987% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.33, residual support = 75.9:
          HN    GLU- 100 - HG3   GLU- 100   2.76 +/- 0.37 100.000% *100.0000% (0.97   4.33  75.86) = 100.000%  kept
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.52, residual support = 75.9:
          HN    GLU- 100 - HG2   GLU- 100   3.29 +/- 0.65 100.000% *100.0000% (0.84   6.52  75.86) = 100.000%  kept
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.66, residual support = 159.5:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.46 +/- 0.16  99.553% * 98.4486% (1.00   4.66 159.45) =  99.999%  kept
          HN    THR   39 - HB    VAL   41   7.11 +/- 0.76   0.267% *  0.1154% (0.27   0.02   0.18) =   0.000%
          HN    LYS+ 102 - HB    VAL   41   8.84 +/- 1.23   0.083% *  0.1899% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    VAL   41   8.53 +/- 0.89   0.072% *  0.1836% (0.43   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  10.50 +/- 0.98   0.019% *  0.2568% (0.61   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  12.65 +/- 0.98   0.006% *  0.4087% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  23.67 +/- 1.07   0.000% *  0.2739% (0.65   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  22.69 +/- 0.76   0.000% *  0.1231% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.47, residual support = 22.4:
          HN    ILE  103 - QB    LYS+ 102   3.15 +/- 0.25  99.842% * 98.9489% (1.00   5.47  22.37) = 100.000%  kept
          HN    ILE  103 - HB    VAL   41  10.21 +/- 1.37   0.148% *  0.1626% (0.45   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  17.25 +/- 0.50   0.004% *  0.1903% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  17.18 +/- 1.08   0.005% *  0.0855% (0.24   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  25.05 +/- 0.86   0.000% *  0.3422% (0.95   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  23.43 +/- 1.07   0.001% *  0.1538% (0.43   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  23.12 +/- 0.65   0.001% *  0.0362% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  26.65 +/- 1.14   0.000% *  0.0805% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.726, support = 4.4, residual support = 159.5:
          HN    LYS+ 102 - HG2   LYS+ 102   3.34 +/- 0.37  99.228% * 99.2078% (0.73   4.40 159.45) =  99.998%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.45 +/- 1.02   0.689% *  0.2333% (0.38   0.02   0.02) =   0.002%
          HN    GLU-  36 - HG2   LYS+ 102  13.76 +/- 1.32   0.024% *  0.3270% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  11.98 +/- 0.98   0.058% *  0.1089% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  27.16 +/- 1.13   0.000% *  0.1230% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.53, support = 0.0163, residual support = 0.0163:
          HB    THR   94 - HA    ILE  103  12.99 +/- 0.28  21.021% *  8.0503% (0.76   0.02   0.02) =  31.726%  kept
          HA    LYS+ 121 - HA    ILE  103  13.59 +/- 0.33  15.826% *  7.2359% (0.69   0.02   0.02) =  21.469%  kept
          HA2   GLY   16 - HA    THR   39  13.28 +/- 1.64  21.792% *  3.1212% (0.30   0.02   0.02) =  12.752%  kept
        T QB    SER  117 - HA    ILE  103  14.20 +/- 0.58  12.280% *  3.5932% (0.34   0.02   0.02) =   8.273%  kept
          HA    ALA  120 - HA    ILE  103  17.22 +/- 0.27   3.822% * 10.4407% (0.99   0.02   0.02) =   7.481%  kept
          HA    LYS+  65 - HA    THR   39  15.00 +/- 0.66   8.754% *  2.9069% (0.28   0.02   0.02) =   4.771%
          HA    LYS+  65 - HA    ILE  103  19.24 +/- 0.34   1.964% *  8.7987% (0.84   0.02   0.02) =   3.240%
          HA2   GLY   16 - HA    ILE  103  20.20 +/- 1.12   1.478% *  9.4472% (0.90   0.02   0.02) =   2.618%
          HA    LYS+ 121 - HA    THR   39  16.50 +/- 0.80   5.057% *  2.3906% (0.23   0.02   0.02) =   2.266%
          HA    ALA  120 - HA    THR   39  18.89 +/- 0.74   2.221% *  3.4494% (0.33   0.02   0.02) =   1.436%
        T QB    SER   48 - HA    ILE  103  22.74 +/- 0.38   0.719% *  9.1375% (0.87   0.02   0.02) =   1.232%
        T QB    SER   85 - HA    ILE  103  25.03 +/- 0.78   0.407% *  9.4472% (0.90   0.02   0.02) =   0.722%
          HB    THR   94 - HA    THR   39  20.38 +/- 0.21   1.397% *  2.6597% (0.25   0.02   0.02) =   0.697%
        T QB    SER  117 - HA    THR   39  19.80 +/- 0.74   1.663% *  1.1871% (0.11   0.02   0.02) =   0.370%
        T HA2   GLY   51 - HA    ILE  103  26.97 +/- 0.35   0.260% *  6.3892% (0.61   0.02   0.02) =   0.312%
        T HD2   PRO   52 - HA    ILE  103  23.96 +/- 0.57   0.535% *  2.6267% (0.25   0.02   0.02) =   0.264%
        T QB    SER   48 - HA    THR   39  25.14 +/- 0.68   0.394% *  3.0188% (0.29   0.02   0.02) =   0.223%
        T QB    SER   85 - HA    THR   39  30.16 +/- 0.52   0.132% *  3.1212% (0.30   0.02   0.02) =   0.077%
        T HA2   GLY   51 - HA    THR   39  31.01 +/- 0.34   0.112% *  2.1109% (0.20   0.02   0.02) =   0.044%
        T HD2   PRO   52 - HA    THR   39  29.12 +/- 0.54   0.164% *  0.8678% (0.08   0.02   0.02) =   0.027%
    Distance limit 3.62 A violated in 20 structures by 6.84 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.97, residual support = 39.2:
      O   HN    LEU  104 - HA    ILE  103   2.18 +/- 0.00  99.979% * 99.6557% (0.92   6.97  39.17) = 100.000%  kept
          HN    LEU  104 - HA    THR   39  10.18 +/- 0.27   0.010% *  0.0944% (0.30   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    THR   39  10.31 +/- 0.50   0.009% *  0.0620% (0.20   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  13.96 +/- 0.22   0.001% *  0.1878% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.344, support = 3.89, residual support = 37.6:
      O   HN    THR   39 - HA    THR   39   2.75 +/- 0.04  96.939% * 33.8039% (0.33   3.90  38.48) =  94.863%  kept
          HN    LYS+ 102 - HA    ILE  103   4.98 +/- 0.16   2.786% * 63.6783% (0.65   3.72  22.37) =   5.136%  kept
          HN    GLU-  36 - HA    THR   39   8.45 +/- 0.72   0.170% *  0.1460% (0.28   0.02   0.17) =   0.001%
          HN    LYS+ 102 - HA    THR   39   9.17 +/- 0.75   0.077% *  0.1131% (0.21   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  11.76 +/- 0.46   0.016% *  0.5243% (0.99   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  13.96 +/- 0.59   0.006% *  0.4419% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  18.09 +/- 0.68   0.001% *  0.2575% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  22.60 +/- 1.10   0.000% *  0.5278% (1.00   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.95 +/- 0.69   0.001% *  0.0851% (0.16   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.21 +/- 0.26   0.001% *  0.0816% (0.15   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  22.28 +/- 0.96   0.000% *  0.1047% (0.20   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  18.81 +/- 0.57   0.001% *  0.0270% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  29.68 +/- 0.49   0.000% *  0.1744% (0.33   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  29.01 +/- 0.69   0.000% *  0.0346% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 3.54, residual support = 27.5:
        T QD1   LEU   98 - HA    ILE  103   2.94 +/- 0.36  99.856% * 98.0281% (0.41   3.54  27.46) = 100.000%  kept
          QD1   LEU   98 - HA    THR   39   9.64 +/- 0.76   0.107% *  0.1830% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  14.16 +/- 0.45   0.010% *  1.3446% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    THR   39  11.91 +/- 0.40   0.027% *  0.4442% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.89, residual support = 6.52:
          HN    ASP- 105 - QG2   ILE  103   2.13 +/- 0.26  99.842% * 97.0906% (0.38   2.89   6.52) =  99.998%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.57 +/- 0.14   0.153% *  1.2999% (0.73   0.02  22.37) =   0.002%
          HN    GLU-  36 - QG2   ILE  103  14.26 +/- 0.52   0.001% *  0.9418% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  12.36 +/- 0.39   0.003% *  0.3135% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   ILE  103  18.11 +/- 1.31   0.000% *  0.3543% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.65, residual support = 39.2:
          HN    LEU  104 - QG2   ILE  103   2.99 +/- 0.12  99.985% * 99.9413% (0.90   6.65  39.17) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.01 +/- 0.38   0.015% *  0.0587% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.76, residual support = 137.7:
      O   HN    ILE  103 - HB    ILE  103   2.10 +/- 0.05  99.999% * 99.5008% (1.00   6.76 137.73) = 100.000%  kept
          HN    GLY  109 - HB    ILE  103  14.18 +/- 0.46   0.001% *  0.1550% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    ILE  103  22.97 +/- 0.85   0.000% *  0.2787% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  25.78 +/- 1.43   0.000% *  0.0656% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.2, support = 5.98, residual support = 137.7:
      O T HA    ILE  103 - HG12  ILE  103   2.27 +/- 0.37  99.752% * 93.3707% (0.20   5.98 137.73) =  99.997%  kept
          HA    LEU  104 - HG12  ILE  103   6.43 +/- 0.26   0.241% *  0.9572% (0.61   0.02  39.17) =   0.002%
          HA    ASP-  44 - HG12  ILE  103  12.12 +/- 0.56   0.007% *  0.5149% (0.33   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  18.28 +/- 0.52   0.001% *  0.4273% (0.27   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG12  ILE  103  25.59 +/- 1.06   0.000% *  1.2498% (0.80   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  24.37 +/- 2.02   0.000% *  1.2498% (0.80   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  29.46 +/- 2.79   0.000% *  1.2415% (0.79   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  25.34 +/- 0.65   0.000% *  0.4273% (0.27   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  31.74 +/- 3.00   0.000% *  0.5616% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 6.94, residual support = 137.7:
          HN    ILE  103 - HG12  ILE  103   3.31 +/- 0.24  99.974% * 99.5142% (0.80   6.94 137.73) = 100.000%  kept
          HN    GLY  109 - HG12  ILE  103  13.61 +/- 0.49   0.024% *  0.1508% (0.42   0.02   0.02) =   0.000%
          HN    GLN   90 - HG12  ILE  103  21.72 +/- 0.86   0.001% *  0.2711% (0.76   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  23.81 +/- 1.33   0.001% *  0.0638% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 137.7:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.988% * 98.4089% (0.58   4.30 137.73) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.21 +/- 0.29   0.010% *  0.4812% (0.61   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  10.64 +/- 0.40   0.002% *  0.1751% (0.22   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.87 +/- 0.46   0.000% *  0.1943% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.58 +/- 0.66   0.000% *  0.5042% (0.64   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.47 +/- 1.00   0.000% *  0.2363% (0.30   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.499, support = 4.8, residual support = 137.7:
      O T QD1   ILE  103 - HG12  ILE  103   2.14 +/- 0.02  86.443% * 29.4876% (0.39   4.62 137.73) =  73.289%  kept
      O T QG2   ILE  103 - HG12  ILE  103   2.97 +/- 0.20  13.383% * 69.4128% (0.80   5.31 137.73) =  26.709%  kept
          QD2   LEU   40 - HG12  ILE  103   6.25 +/- 0.58   0.165% *  0.2481% (0.76   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG12  ILE  103  10.83 +/- 0.62   0.006% *  0.2531% (0.77   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  13.68 +/- 0.41   0.001% *  0.1591% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  14.06 +/- 0.67   0.001% *  0.0984% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  18.40 +/- 0.77   0.000% *  0.2599% (0.79   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.70 +/- 0.51   0.001% *  0.0809% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 5.12, residual support = 27.5:
          QD1   LEU   98 - HG12  ILE  103   2.19 +/- 0.62  99.995% * 99.7192% (0.72   5.12  27.46) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  13.90 +/- 0.74   0.005% *  0.2808% (0.52   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.722, support = 4.08, residual support = 137.7:
      O   QD1   ILE  103 - HG13  ILE  103   2.14 +/- 0.02  54.329% * 79.5488% (0.84   3.97 137.73) =  82.900%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.22 +/- 0.18  45.670% * 19.5197% (0.18   4.64 137.73) =  17.100%  kept
          QD2   LEU   71 - HG13  ILE  103  14.24 +/- 0.42   0.001% *  0.3485% (0.73   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  15.27 +/- 0.31   0.000% *  0.4632% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  18.12 +/- 0.44   0.000% *  0.1197% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 2.11, residual support = 27.5:
          QD1   LEU   98 - HG13  ILE  103   2.68 +/- 0.62  99.991% * 99.3218% (0.90   2.11  27.46) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  14.18 +/- 0.45   0.009% *  0.6782% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.536, support = 0.0194, residual support = 0.0194:
          HD1   TRP   27 - QD1   ILE  103  12.10 +/- 0.88  42.011% * 17.5479% (0.45   0.02   0.02) =  36.017%  kept
          HE21  GLN   30 - QD1   ILE  103  13.59 +/- 1.04  20.953% * 30.1124% (0.77   0.02   0.02) =  30.825%  kept
          QD    PHE   59 - QD1   ILE  103  12.49 +/- 0.84  35.367% * 17.5479% (0.45   0.02   0.02) =  30.321%  kept
          HH2   TRP   49 - QD1   ILE  103  20.89 +/- 1.46   1.669% * 34.7918% (0.89   0.02   0.02) =   2.837%
    Distance limit 4.52 A violated in 20 structures by 5.89 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.59, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - QD1   ILE  103  15.58 +/- 1.58  26.857% * 20.5212% (0.63   0.02   0.02) =  33.557%  kept
          HE3   TRP   87 - QD1   ILE  103  16.36 +/- 0.97  19.501% * 16.9137% (0.52   0.02   0.02) =  20.083%  kept
          HN    GLN   17 - QD1   ILE  103  17.52 +/- 0.91  12.404% * 25.9142% (0.80   0.02   0.02) =  19.572%  kept
          HN    TRP   87 - QD1   ILE  103  18.52 +/- 0.77   9.075% * 21.6935% (0.67   0.02   0.02) =  11.988%  kept
          HN    ALA   61 - QD1   ILE  103  16.49 +/- 0.88  17.604% *  8.3063% (0.26   0.02   0.02) =   8.904%  kept
          HN    ALA   91 - QD1   ILE  103  17.17 +/- 1.27  14.558% *  6.6512% (0.21   0.02   0.02) =   5.896%  kept
    Distance limit 4.11 A violated in 20 structures by 8.17 A, eliminated.
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.62, residual support = 137.7:
          HN    ILE  103 - QD1   ILE  103   2.82 +/- 0.72  99.866% * 99.4002% (0.92   5.62 137.73) = 100.000%  kept
          HN    GLY  109 - QD1   ILE  103  11.24 +/- 0.91   0.127% *  0.1862% (0.49   0.02   0.02) =   0.000%
          HN    GLN   90 - QD1   ILE  103  17.82 +/- 1.03   0.005% *  0.3348% (0.87   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  19.57 +/- 1.14   0.002% *  0.0788% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 137.7:
      O   HA    ILE  103 - HG13  ILE  103   3.10 +/- 0.38  98.924% * 96.6837% (0.73   5.40 137.73) =  99.998%  kept
          HA    LEU  104 - HG13  ILE  103   6.74 +/- 0.28   1.008% *  0.1372% (0.28   0.02  39.17) =   0.001%
          HA    ASP-  44 - HG13  ILE  103  11.49 +/- 0.38   0.045% *  0.4424% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  13.56 +/- 0.47   0.016% *  0.1372% (0.28   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  17.40 +/- 0.53   0.004% *  0.4120% (0.84   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  24.49 +/- 0.71   0.001% *  0.4120% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  21.55 +/- 0.95   0.001% *  0.1683% (0.34   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  24.78 +/- 1.14   0.000% *  0.3582% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.99 +/- 1.70   0.000% *  0.3191% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  30.17 +/- 2.53   0.000% *  0.3770% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  32.52 +/- 2.64   0.000% *  0.4554% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.94 +/- 0.81   0.000% *  0.0976% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 137.7:
          HN    ILE  103 - HG13  ILE  103   4.12 +/- 0.10  99.842% * 99.4606% (1.00   6.25 137.73) = 100.000%  kept
          HN    GLY  109 - HG13  ILE  103  12.26 +/- 0.40   0.148% *  0.1674% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HG13  ILE  103  20.65 +/- 0.87   0.007% *  0.3011% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  23.30 +/- 1.40   0.003% *  0.0709% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.4, residual support = 137.7:
          HN    ILE  103 - QG2   ILE  103   3.52 +/- 0.08  99.830% * 99.2438% (0.69   6.40 137.73) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  10.32 +/- 0.33   0.163% *  0.4359% (0.97   0.02   0.02) =   0.001%
          HN    GLN   90 - QG2   ILE  103  18.21 +/- 0.58   0.005% *  0.2198% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  21.38 +/- 0.64   0.002% *  0.1005% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.76, residual support = 22.4:
          HA    LYS+ 102 - HB    ILE  103   4.30 +/- 0.11  99.964% * 98.7594% (0.38   4.76  22.37) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  21.08 +/- 0.42   0.007% *  1.0216% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  16.80 +/- 0.16   0.029% *  0.2190% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.74, residual support = 17.2:
        T HB2   PHE   97 - HB2   LEU  104   3.28 +/- 0.27  95.453% * 98.7682% (0.82   4.74  17.18) =  99.993%  kept
          QE    LYS+  99 - HB2   LEU  104   5.94 +/- 0.65   4.040% *  0.1099% (0.22   0.02  19.19) =   0.005%
          QE    LYS+ 106 - HB2   LEU  104   8.60 +/- 1.04   0.487% *  0.3952% (0.78   0.02   0.02) =   0.002%
          HB3   PHE   60 - HB2   LEU  104  14.52 +/- 0.42   0.014% *  0.3200% (0.63   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  16.88 +/- 0.59   0.006% *  0.4068% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.69, residual support = 34.3:
          HN    ASP- 105 - HB2   LEU  104   3.04 +/- 0.10 100.000% * 99.8815% (0.82   6.69  34.31) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  28.57 +/- 0.52   0.000% *  0.1185% (0.33   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 219.1:
      O   HN    LEU  104 - HB2   LEU  104   2.40 +/- 0.11  99.994% * 99.3470% (0.36   7.38 219.07) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  12.34 +/- 0.32   0.006% *  0.6530% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.86, residual support = 219.1:
      O   HN    LEU  104 - HB3   LEU  104   3.56 +/- 0.02  99.968% * 99.8088% (0.71   6.86 219.07) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  13.62 +/- 0.41   0.032% *  0.1912% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.43, residual support = 219.1:
          HN    LEU  104 - HG    LEU  104   2.82 +/- 0.36  99.986% * 99.8233% (0.92   7.43 219.07) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  12.71 +/- 0.75   0.014% *  0.1767% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.5, residual support = 19.2:
          HN    LYS+  99 - HG    LEU  104   3.14 +/- 0.48  98.835% * 96.3289% (0.98   1.50  19.19) =  99.984%  kept
          HE1   HIS  122 - HG    LEU  104   8.02 +/- 2.67   1.159% *  1.3074% (1.00   0.02   0.02) =   0.016%
          HN    GLN   30 - HG    LEU  104  16.98 +/- 0.65   0.005% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  22.13 +/- 1.53   0.001% *  1.2844% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  29.38 +/- 0.88   0.000% *  0.4918% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.397, support = 6.86, residual support = 219.1:
          HN    LEU  104 - QD1   LEU  104   3.84 +/- 0.58  93.326% * 98.9360% (0.40   6.86 219.07) =  99.990%  kept
          HN    PHE   72 - QD1   LEU   73   6.50 +/- 0.16   4.883% *  0.1289% (0.18   0.02  26.08) =   0.007%
          HN    PHE   72 - QD1   LEU  104  10.61 +/- 0.47   0.257% *  0.6999% (0.96   0.02   0.02) =   0.002%
          HN    PHE   72 - QD1   LEU   63   8.74 +/- 0.40   0.847% *  0.1289% (0.18   0.02  18.86) =   0.001%
          HN    LEU  104 - QD1   LEU   63   9.37 +/- 0.34   0.535% *  0.0531% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  11.62 +/- 0.46   0.151% *  0.0531% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 3.43, residual support = 19.2:
        T HB2   LYS+  99 - QD1   LEU  104   2.08 +/- 0.22  99.792% * 97.1071% (0.40   3.43  19.19) = 100.000%  kept
          HB    VAL   43 - QD1   LEU   73   6.33 +/- 0.22   0.159% *  0.1336% (0.09   0.02   9.21) =   0.000%
        T HB    VAL   43 - QD1   LEU  104  10.32 +/- 0.65   0.009% *  0.7254% (0.51   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.42 +/- 0.32   0.027% *  0.1336% (0.09   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  10.91 +/- 0.64   0.006% *  0.1044% (0.07   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  11.86 +/- 0.64   0.004% *  0.1044% (0.07   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  14.65 +/- 0.54   0.001% *  0.1138% (0.08   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  14.88 +/- 0.46   0.001% *  0.1138% (0.08   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  22.34 +/- 0.87   0.000% *  0.6181% (0.43   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  17.98 +/- 0.54   0.000% *  0.1138% (0.08   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  24.05 +/- 0.87   0.000% *  0.6181% (0.43   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  19.41 +/- 1.01   0.000% *  0.1138% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.1, residual support = 19.2:
          HB2   LYS+  99 - QD2   LEU  104   2.17 +/- 0.34  98.236% * 97.1462% (0.90   2.10  19.19) =  99.999%  kept
          HB2   LYS+  99 - QG1   VAL   41   5.26 +/- 0.40   0.886% *  0.0497% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   18   5.52 +/- 0.60   0.686% *  0.0395% (0.04   0.02  50.94) =   0.000%
        T HB    VAL   43 - QD2   LEU  104  10.39 +/- 0.58   0.011% *  0.9954% (0.97   0.02   0.02) =   0.000%
        T HB    VAL   43 - QG1   VAL   41   6.97 +/- 0.29   0.144% *  0.0535% (0.05   0.02   3.09) =   0.000%
        T HB    VAL   43 - QG2   VAL   18   9.21 +/- 0.94   0.031% *  0.1530% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   18  14.23 +/- 0.87   0.002% *  0.1421% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  17.67 +/- 0.91   0.001% *  0.2572% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  16.36 +/- 1.14   0.001% *  0.1463% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  24.04 +/- 1.06   0.000% *  0.9522% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  13.22 +/- 0.77   0.003% *  0.0138% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  19.92 +/- 0.67   0.000% *  0.0511% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.0, residual support = 39.3:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.879% * 93.0868% (0.72   3.00  39.27) =  99.999%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.47 +/- 0.15   0.110% *  0.7960% (0.93   0.02  20.35) =   0.001%
          HB    ILE  103 - HB2   ASP- 105   8.13 +/- 0.21   0.010% *  0.5578% (0.65   0.02   6.52) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  13.34 +/- 0.33   0.001% *  0.7044% (0.82   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  16.38 +/- 0.74   0.000% *  0.5897% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  18.04 +/- 0.53   0.000% *  0.7044% (0.82   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  17.90 +/- 0.56   0.000% *  0.5253% (0.61   0.02   0.02) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  16.56 +/- 0.43   0.000% *  0.3048% (0.36   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.40 +/- 0.38   0.000% *  0.4272% (0.50   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  16.04 +/- 0.24   0.000% *  0.1808% (0.21   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.50 +/- 0.52   0.000% *  0.5897% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  23.85 +/- 0.53   0.000% *  0.7496% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  25.15 +/- 1.24   0.000% *  0.7837% (0.91   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 1.5, residual support = 5.41:
        T QG2   THR  118 - HB2   ASP- 105   2.82 +/- 0.20 100.000% *100.0000% (0.54   1.50   5.41) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.5, residual support = 5.41:
        T QG2   THR  118 - HB3   ASP- 105   3.29 +/- 0.24 100.000% *100.0000% (0.57   1.50   5.41) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.892, support = 4.65, residual support = 58.0:
          HB2   PHE   97 - HB2   ASP- 105   3.54 +/- 0.33  91.774% * 58.2275% (0.89   4.72  60.31) =  94.168%  kept
          QE    LYS+ 106 - HB2   ASP- 105   6.34 +/- 1.13   8.018% * 41.2770% (0.85   3.53  20.35) =   5.832%  kept
          QE    LYS+  99 - HB2   ASP- 105  10.47 +/- 0.77   0.157% *  0.0651% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  12.66 +/- 0.43   0.047% *  0.1895% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  18.46 +/- 0.58   0.005% *  0.2409% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.8, residual support = 60.3:
        T HB2   PHE   97 - HB3   ASP- 105   2.14 +/- 0.22  99.746% * 98.2245% (0.87   3.80  60.31) =  99.999%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.78 +/- 0.99   0.213% *  0.2449% (0.41   0.02  20.35) =   0.001%
          QE    LYS+  99 - HB3   ASP- 105   9.52 +/- 0.76   0.028% *  0.4325% (0.73   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HB3   ASP- 105  10.88 +/- 0.60   0.008% *  0.1485% (0.25   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  11.87 +/- 0.44   0.004% *  0.1485% (0.25   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  17.01 +/- 0.67   0.000% *  0.5341% (0.90   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  16.95 +/- 0.70   0.001% *  0.2670% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 39.3:
      O T HA    ASP- 105 - HB3   ASP- 105   3.00 +/- 0.09  99.999% * 99.0793% (0.87   3.00  39.27) = 100.000%  kept
          HB    THR   23 - HB3   ASP- 105  23.93 +/- 0.68   0.000% *  0.4619% (0.61   0.02   0.02) =   0.000%
          HA    LEU   80 - HB3   ASP- 105  24.22 +/- 0.79   0.000% *  0.3414% (0.45   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  22.53 +/- 0.82   0.001% *  0.1175% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 4.35, residual support = 39.3:
      O   HN    ASP- 105 - HB3   ASP- 105   3.18 +/- 0.11 100.000% * 99.8181% (0.95   4.35  39.27) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  26.00 +/- 0.58   0.000% *  0.1819% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 3.59, residual support = 20.3:
          HN    LYS+ 106 - HB3   ASP- 105   3.55 +/- 0.19  99.498% * 99.5114% (0.18   3.59  20.35) =  99.998%  kept
          HN    VAL   41 - HB3   ASP- 105   8.67 +/- 0.34   0.502% *  0.4886% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.45, residual support = 60.3:
          QD    PHE   97 - HB2   ASP- 105   3.72 +/- 0.41  99.997% * 99.3205% (0.87   3.45  60.31) = 100.000%  kept
          HZ3   TRP   87 - HB2   ASP- 105  23.44 +/- 1.03   0.002% *  0.5407% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB2   ASP- 105  25.55 +/- 0.94   0.001% *  0.1388% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.56, residual support = 39.3:
      O   HN    ASP- 105 - HB2   ASP- 105   3.95 +/- 0.17  99.999% * 99.8262% (0.89   4.56  39.27) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  26.51 +/- 0.82   0.001% *  0.1738% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 3.61, residual support = 20.3:
          HN    LYS+ 106 - HB2   ASP- 105   2.87 +/- 0.22  99.921% * 99.5140% (0.17   3.61  20.35) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  10.11 +/- 0.58   0.079% *  0.4860% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.14, residual support = 2.27:
        T HA    MET   96 - HA    LYS+ 106   2.34 +/- 0.20  99.993% * 99.2448% (0.87   1.14   2.27) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.76 +/- 0.25   0.007% *  0.7552% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.29, residual support = 12.4:
          QD    PHE   97 - HA    LYS+ 106   3.70 +/- 0.19  99.994% * 99.6108% (0.45   4.29  12.36) = 100.000%  kept
          HZ3   TRP   87 - HA    LYS+ 106  19.08 +/- 0.90   0.006% *  0.3892% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.32, residual support = 12.4:
          HN    PHE   97 - HA    LYS+ 106   3.16 +/- 0.12  99.879% * 99.2169% (0.90   3.32  12.36) =  99.999%  kept
          HN    LEU  115 - HA    LYS+ 106  10.17 +/- 0.52   0.100% *  0.5978% (0.90   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    LYS+ 106  13.20 +/- 0.61   0.021% *  0.1853% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 131.3:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.89 +/- 0.01 100.000% *100.0000% (0.61   5.17 131.31) = 100.000%  kept
    Distance limit 3.98 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 = 4.25, residual support = 21.7:
      O   HN    VAL  107 - HA    LYS+ 106   2.18 +/- 0.01 100.000% * 99.5272% (0.99   4.25  21.66) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.11 +/- 0.50   0.000% *  0.4728% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 5.42, residual support = 131.3:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.31 +/- 0.03  99.852% * 99.6759% (0.18   5.42 131.31) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106   9.87 +/- 0.34   0.148% *  0.3241% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 4.44, residual support = 21.7:
          HN    VAL  107 - QB    LYS+ 106   3.41 +/- 0.09  99.995% * 99.5481% (0.99   4.44  21.66) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  18.08 +/- 0.47   0.005% *  0.4519% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.607, support = 5.83, residual support = 131.3:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.42 +/- 0.08  99.623% * 95.6468% (0.61   5.83 131.31) =  99.999%  kept
        T QB    LEU   98 - QB    LYS+ 106   6.54 +/- 0.39   0.281% *  0.3928% (0.73   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QB    LYS+ 106   9.18 +/- 0.71   0.037% *  0.2224% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106  10.40 +/- 0.52   0.017% *  0.4852% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+ 106  10.65 +/- 0.91   0.018% *  0.4332% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  12.25 +/- 0.64   0.006% *  0.4519% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.95 +/- 0.29   0.012% *  0.0732% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  14.58 +/- 0.38   0.002% *  0.3928% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  15.76 +/- 0.33   0.001% *  0.2425% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  18.90 +/- 1.10   0.000% *  0.5118% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  19.07 +/- 0.44   0.000% *  0.4852% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  17.41 +/- 1.52   0.001% *  0.1504% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.74 +/- 2.01   0.000% *  0.5118% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.992, support = 0.0199, residual support = 0.0199:
          QG2   VAL  108 - QB    LYS+ 106   4.39 +/- 1.07  91.790% * 32.3606% (1.00   0.02   0.02) =  92.081%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.42 +/- 0.13   7.631% * 31.7904% (0.98   0.02   0.02) =   7.521%  kept
          QD1   ILE  119 - QB    LYS+ 106  11.65 +/- 0.25   0.471% * 24.7859% (0.76   0.02   0.02) =   0.362%
          HG3   LYS+ 112 - QB    LYS+ 106  14.84 +/- 0.60   0.108% * 11.0630% (0.34   0.02   0.02) =   0.037%
    Distance limit 3.84 A violated in 8 structures by 0.54 A, eliminated.
    Peak unassigned.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.778, support = 3.71, residual support = 19.7:
          QG2   VAL  107 - QB    LYS+ 106   5.63 +/- 0.10   5.051% * 98.5406% (0.76   4.08  21.66) =  91.020%  kept
          HG13  ILE  103 - QB    LYS+ 106   3.62 +/- 0.16  71.212% *  0.6308% (1.00   0.02   0.11) =   8.214%  kept
          QG2   THR   94 - QB    LYS+ 106   4.38 +/- 0.20  23.615% *  0.1758% (0.28   0.02   0.02) =   0.759%
          HG2   LYS+ 121 - QB    LYS+ 106  10.91 +/- 0.29   0.097% *  0.3326% (0.53   0.02   0.02) =   0.006%
          HB3   LYS+ 112 - QB    LYS+ 106  14.90 +/- 0.35   0.015% *  0.1951% (0.31   0.02   0.02) =   0.001%
          QB    ALA   20 - QB    LYS+ 106  16.05 +/- 0.32   0.009% *  0.1251% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 5.61, residual support = 108.3:
          HN    LYS+  81 - QG    LYS+  81   3.00 +/- 0.27  99.785% * 83.9211% (0.13   5.61 108.32) =  99.997%  kept
          HE3   TRP   27 - HG2   LYS+  33  11.00 +/- 0.98   0.060% *  2.2032% (0.98   0.02   0.02) =   0.002%
          QE    PHE   95 - HG2   LYS+ 106  10.35 +/- 0.64   0.072% *  0.7718% (0.34   0.02   0.02) =   0.001%
          HN    THR   23 - QG    LYS+  81  11.70 +/- 0.50   0.031% *  0.5662% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  13.58 +/- 0.77   0.014% *  1.1826% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  14.21 +/- 0.34   0.010% *  1.0548% (0.47   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  16.46 +/- 0.91   0.005% *  1.3362% (0.59   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  15.73 +/- 1.21   0.007% *  0.6093% (0.27   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  18.22 +/- 0.67   0.002% *  1.2895% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.17 +/- 1.11   0.003% *  1.0180% (0.45   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  16.16 +/- 1.40   0.006% *  0.4448% (0.20   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  20.80 +/- 1.30   0.001% *  1.2725% (0.57   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  18.56 +/- 0.51   0.002% *  0.2698% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.87 +/- 1.13   0.000% *  2.1262% (0.95   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  23.01 +/- 0.97   0.001% *  0.7172% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  23.72 +/- 0.80   0.000% *  0.6249% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  24.86 +/- 1.47   0.000% *  0.3790% (0.17   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  25.31 +/- 0.80   0.000% *  0.2130% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.264, support = 0.0195, residual support = 0.0195:
          HN    GLU-  79 - QG    LYS+  81   5.19 +/- 0.25  97.837% * 10.3925% (0.27   0.02   0.02) =  97.564%  kept
          HN    VAL   70 - HG2   LYS+  33  11.69 +/- 1.48   1.048% * 18.6620% (0.49   0.02   0.02) =   1.877%
          HN    THR   94 - HG2   LYS+ 106  12.07 +/- 0.34   0.649% *  4.6016% (0.12   0.02   0.02) =   0.287%
          HN    THR   94 - QG    LYS+  81  13.64 +/- 1.20   0.341% *  3.6327% (0.09   0.02   0.02) =   0.119%
          HN    GLU-  79 - HG2   LYS+  33  20.82 +/- 0.82   0.025% * 21.7063% (0.57   0.02   0.02) =   0.052%
          HN    VAL   70 - HG2   LYS+ 106  18.70 +/- 0.39   0.047% * 11.3181% (0.30   0.02   0.02) =   0.051%
          HN    GLU-  79 - HG2   LYS+ 106  21.61 +/- 0.77   0.020% * 13.1644% (0.34   0.02   0.02) =   0.026%
          HN    THR   94 - HG2   LYS+  33  20.87 +/- 1.35   0.025% *  7.5874% (0.20   0.02   0.02) =   0.019%
          HN    VAL   70 - QG    LYS+  81  25.67 +/- 0.62   0.007% *  8.9350% (0.23   0.02   0.02) =   0.006%
    Distance limit 4.44 A violated in 20 structures by 0.76 A, eliminated.
    Peak unassigned.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 131.3:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.45 +/- 0.12  99.945% * 99.5647% (0.18   5.66 131.31) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  12.79 +/- 0.99   0.049% *  0.0641% (0.03   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.40 +/- 1.20   0.003% *  0.2235% (0.11   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  19.16 +/- 0.50   0.004% *  0.1476% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 4.31, residual support = 41.1:
        T HB2   PHE   95 - HB    VAL  107   2.52 +/- 0.52 100.000% *100.0000% (0.69   4.31  41.09) = 100.000%  kept
    Distance limit 3.60 A violated in 2 structures by 0.04 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.08, residual support = 54.4:
      O T QG2   VAL  107 - HB    VAL  107   2.11 +/- 0.02  99.971% * 98.3072% (0.72   3.08  54.44) = 100.000%  kept
          HG13  ILE  103 - HB    VAL  107   9.78 +/- 0.42   0.011% *  0.4161% (0.47   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  11.38 +/- 0.37   0.004% *  0.6207% (0.70   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL  107   9.50 +/- 0.51   0.013% *  0.1273% (0.14   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.04 +/- 0.79   0.001% *  0.4161% (0.47   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.28 +/- 0.70   0.000% *  0.1126% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 3.31, residual support = 54.4:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.01  99.980% * 98.5399% (0.71   3.31  54.44) = 100.000%  kept
          HD3   LYS+ 112 - HB    VAL  107  11.26 +/- 0.82   0.005% *  0.5070% (0.61   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL  107   9.50 +/- 0.51   0.013% *  0.1351% (0.16   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  15.57 +/- 1.31   0.001% *  0.5603% (0.67   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL  107  15.65 +/- 0.74   0.001% *  0.1063% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.28 +/- 0.70   0.000% *  0.1514% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.66, support = 0.0196, residual support = 0.876:
          QD1   LEU   63 - HB    VAL  107   6.25 +/- 0.44  55.178% * 18.9779% (0.71   0.02   0.02) =  60.665%  kept
          QD2   LEU  115 - HB    VAL  107   6.96 +/- 0.34  29.941% * 17.8728% (0.67   0.02   2.78) =  31.001%  kept
          QD2   LEU   63 - HB    VAL  107   8.03 +/- 0.48  12.357% *  8.6803% (0.33   0.02   0.02) =   6.214%  kept
          QD1   LEU  104 - HB    VAL  107  11.24 +/- 0.48   1.697% * 13.2994% (0.50   0.02   0.02) =   1.307%
          QD1   LEU   73 - HB    VAL  107  13.34 +/- 0.67   0.589% * 18.9779% (0.71   0.02   0.02) =   0.648%
          QD2   LEU   80 - HB    VAL  107  17.24 +/- 1.21   0.135% * 17.3638% (0.65   0.02   0.02) =   0.136%
          QG1   VAL   83 - HB    VAL  107  18.07 +/- 1.51   0.103% *  4.8278% (0.18   0.02   0.02) =   0.029%
    Distance limit 4.45 A violated in 20 structures by 1.22 A, eliminated.
    Peak unassigned.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.86, residual support = 41.1:
          QD    PHE   95 - HB    VAL  107   2.52 +/- 0.40  99.995% * 99.8343% (0.63   3.86  41.09) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  13.34 +/- 0.70   0.005% *  0.1657% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 0.02, residual support = 2.49:
          QD    PHE   97 - HB    VAL  107   5.31 +/- 0.49  99.953% * 54.4328% (0.33   0.02   2.49) =  99.961%  kept
          HZ3   TRP   87 - HB    VAL  107  19.44 +/- 1.14   0.047% * 45.5672% (0.27   0.02   0.02) =   0.039%
    Distance limit 4.24 A violated in 20 structures by 1.07 A, eliminated.
    Peak unassigned.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 54.4:
      O   HN    VAL  107 - HB    VAL  107   2.72 +/- 0.34  99.997% * 99.3982% (0.72   3.33  54.44) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  15.51 +/- 0.76   0.003% *  0.6018% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 3.25, residual support = 41.1:
          HN    PHE   95 - HB    VAL  107   2.42 +/- 0.71 100.000% *100.0000% (0.47   3.25  41.09) = 100.000%  kept
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3177 (1.15, 1.09, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.4, residual support = 54.4:
      O   QG2   VAL  107 - QG1   VAL  107   2.02 +/- 0.06  99.876% * 98.4626% (0.99   3.40  54.44) = 100.000%  kept
          HG2   LYS+ 121 - QG1   VAL  107   7.65 +/- 0.26   0.035% *  0.5637% (0.97   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   7.88 +/- 0.17   0.029% *  0.3779% (0.65   0.02   0.02) =   0.000%
        T HG13  ILE  119 - QG1   VAL  107   7.06 +/- 0.41   0.058% *  0.1156% (0.20   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.18 +/- 0.32   0.001% *  0.3779% (0.65   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  15.61 +/- 0.39   0.000% *  0.1023% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.31, residual support = 54.4:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.01  99.912% * 97.4920% (0.65   3.31  54.44) = 100.000%  kept
          HB2   GLN  116 - QG1   VAL  107   7.74 +/- 0.42   0.046% *  0.1594% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   8.22 +/- 0.39   0.031% *  0.2269% (0.25   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107   9.95 +/- 0.27   0.010% *  0.2269% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  16.15 +/- 0.45   0.001% *  0.7600% (0.84   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  17.83 +/- 0.52   0.000% *  0.9079% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  14.67 +/- 0.79   0.001% *  0.2269% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 62.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 54.4:
      O T HB    VAL  107 - QG2   VAL  107   2.11 +/- 0.02  99.831% * 97.3114% (0.65   3.08  54.44) = 100.000%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.96 +/- 0.47   0.086% *  0.2432% (0.25   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL  107   7.31 +/- 0.41   0.063% *  0.1708% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   8.91 +/- 0.42   0.019% *  0.2432% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  15.67 +/- 0.50   0.001% *  0.8148% (0.84   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  19.20 +/- 0.67   0.000% *  0.9733% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.03 +/- 0.74   0.000% *  0.2432% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 62.58 ppm):
    12 chemical-shift based assignments, quality = 0.714, support = 1.35, residual support = 3.03:
        T QB    GLU- 114 - QG2   VAL  107   2.99 +/- 0.86  75.420% * 53.1565% (0.65   1.50   3.65) =  80.460%  kept
          HB2   LYS+ 111 - QG2   VAL  107   3.75 +/- 0.55  24.033% * 40.5069% (0.99   0.75   0.47) =  19.538%  kept
        T HB    ILE  119 - QG2   VAL  107   7.70 +/- 0.49   0.520% *  0.1919% (0.18   0.02   0.02) =   0.002%
          HB    ILE   19 - QG2   VAL  107  15.59 +/- 0.40   0.006% *  0.6203% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   VAL  107  17.50 +/- 0.46   0.003% *  1.0956% (1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  17.94 +/- 0.72   0.003% *  1.0956% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  18.05 +/- 0.55   0.003% *  0.8773% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  17.84 +/- 0.43   0.003% *  0.5333% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  21.59 +/- 0.71   0.001% *  1.0364% (0.95   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  18.89 +/- 0.59   0.002% *  0.4504% (0.41   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.13 +/- 0.31   0.003% *  0.2439% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  17.74 +/- 0.47   0.003% *  0.1919% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 3 structures by 0.03 A, kept.
 
    Peak 3181 (0.59, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.907, support = 0.0197, residual support = 0.908:
        T QD1   LEU   63 - QG1   VAL  107   4.75 +/- 0.41  53.127% * 18.9779% (0.98   0.02   0.02) =  59.009%  kept
          QD2   LEU  115 - QG1   VAL  107   5.23 +/- 0.22  30.739% * 17.8728% (0.92   0.02   2.78) =  32.154%  kept
        T QD2   LEU   63 - QG1   VAL  107   5.92 +/- 0.48  14.027% *  8.6803% (0.45   0.02   0.02) =   7.126%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.38 +/- 0.34   1.795% * 13.2994% (0.69   0.02   0.02) =   1.397%
        T QD1   LEU   73 - QG1   VAL  107  11.70 +/- 0.36   0.234% * 18.9779% (0.98   0.02   0.02) =   0.259%
          QD2   LEU   80 - QG1   VAL  107  15.64 +/- 1.03   0.044% * 17.3638% (0.90   0.02   0.02) =   0.044%
        T QG1   VAL   83 - QG1   VAL  107  16.33 +/- 1.17   0.035% *  4.8278% (0.25   0.02   0.02) =   0.010%
    Distance limit 3.22 A violated in 20 structures by 1.04 A, eliminated.
    Peak unassigned.
 
    Peak 3182 (0.46, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.37, support = 0.0197, residual support = 2.75:
          QD1   LEU  115 - QG2   VAL  107   4.68 +/- 0.21  99.146% * 39.8646% (0.38   0.02   2.78) =  98.717%  kept
          QG1   VAL   75 - QG2   VAL  107  10.69 +/- 0.84   0.854% * 60.1354% (0.57   0.02   0.02) =   1.283%
    Distance limit 4.08 A violated in 20 structures by 0.60 A, eliminated.
    Peak unassigned.
 
    Peak 3183 (0.70, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.88, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.07 +/- 1.16  90.797% * 58.0948% (0.90   0.02   0.02) =  93.187%  kept
          QG2   ILE   19 - QG2   VAL  107  13.67 +/- 0.52   9.203% * 41.9052% (0.65   0.02   0.02) =   6.813%  kept
    Distance limit 3.71 A violated in 20 structures by 5.20 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 62.58 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.51, residual support = 54.4:
      O T HA    VAL  107 - QG2   VAL  107   2.39 +/- 0.23  98.011% * 96.7386% (0.45   3.51  54.44) =  99.991%  kept
          HA    LYS+ 111 - QG2   VAL  107   4.86 +/- 0.41   1.965% *  0.4197% (0.34   0.02   0.47) =   0.009%
          HA    PRO   52 - QG2   VAL  107  11.30 +/- 0.50   0.011% *  1.0674% (0.87   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL  107  11.39 +/- 0.51   0.012% *  0.7464% (0.61   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  17.00 +/- 0.50   0.001% *  1.0278% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 63.87 ppm):
    10 chemical-shift based assignments, quality = 0.439, support = 0.019, residual support = 6.35:
          HB    VAL  108 - QG1   VAL  107   6.02 +/- 0.18  64.198% *  8.4743% (0.45   0.02   9.35) =  67.885%  kept
        T HB    ILE  119 - QG1   VAL  107   7.03 +/- 0.36  26.301% *  4.7132% (0.25   0.02   0.02) =  15.468%  kept
          HB2   PRO   93 - QG1   VAL  107   9.01 +/- 0.28   5.824% * 15.7881% (0.84   0.02   0.02) =  11.475%  kept
          HG2   PRO   58 - QG1   VAL  107  10.75 +/- 0.27   1.998% * 12.2276% (0.65   0.02   0.02) =   3.049%
          HG3   PRO   52 - QG1   VAL  107  12.17 +/- 0.48   0.959% * 12.2276% (0.65   0.02   0.02) =   1.463%
          HB2   ARG+  54 - QG1   VAL  107  14.53 +/- 0.20   0.325% *  9.9446% (0.53   0.02   0.02) =   0.403%
          HB3   GLU- 100 - QG1   VAL  107  15.81 +/- 0.34   0.198% *  3.7406% (0.20   0.02   0.02) =   0.092%
          HB2   GLN   30 - QG1   VAL  107  16.50 +/- 0.39   0.154% *  4.7132% (0.25   0.02   0.02) =   0.090%
          HB2   GLU-  14 - QG1   VAL  107  21.62 +/- 1.61   0.037% * 13.7255% (0.73   0.02   0.02) =   0.063%
          HG2   MET   11 - QG1   VAL  107  28.20 +/- 1.70   0.007% * 14.4453% (0.76   0.02   0.02) =   0.012%
    Distance limit 3.74 A violated in 20 structures by 1.88 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 63.87 ppm):
    8 chemical-shift based assignments, quality = 0.901, support = 0.677, residual support = 2.91:
          HA    LEU  115 - QG1   VAL  107   3.29 +/- 0.20  89.981% * 36.5743% (0.90   0.63   2.78) =  85.058%  kept
          HA    GLU- 114 - QG1   VAL  107   5.17 +/- 0.88   9.938% * 58.1686% (0.92   0.97   3.65) =  14.941%  kept
          HA1   GLY  101 - QG1   VAL  107  13.93 +/- 0.63   0.018% *  1.2911% (0.99   0.02   0.02) =   0.001%
          HA    ARG+  54 - QG1   VAL  107  13.22 +/- 0.19   0.023% *  0.4443% (0.34   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  15.81 +/- 0.32   0.008% *  1.2768% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  13.02 +/- 0.42   0.025% *  0.3248% (0.25   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  16.62 +/- 0.38   0.006% *  1.1299% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.24 +/- 0.43   0.002% *  0.7901% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3187 (4.50, 1.09, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 54.4:
      O T HA    VAL  107 - QG1   VAL  107   2.41 +/- 0.15  99.804% * 96.8477% (0.45   3.63  54.44) =  99.999%  kept
          HA    LYS+ 111 - QG1   VAL  107   7.06 +/- 0.50   0.187% *  0.4057% (0.34   0.02   0.47) =   0.001%
          HA    PRO   52 - QG1   VAL  107  13.34 +/- 0.48   0.004% *  1.0317% (0.87   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  13.33 +/- 0.27   0.004% *  0.7214% (0.61   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.32 +/- 0.42   0.001% *  0.9935% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3188 (7.17, 1.09, 63.87 ppm):
    4 chemical-shift based assignments, quality = 0.485, support = 0.0199, residual support = 0.329:
          QD    PHE   59 - QG1   VAL  107   5.16 +/- 0.27  99.700% * 17.5479% (0.49   0.02   0.33) =  99.539%  kept
          HE21  GLN   30 - QG1   VAL  107  16.03 +/- 0.79   0.119% * 30.1124% (0.84   0.02   0.02) =   0.203%
          HH2   TRP   49 - QG1   VAL  107  17.43 +/- 1.16   0.077% * 34.7918% (0.97   0.02   0.02) =   0.153%
          HD1   TRP   27 - QG1   VAL  107  16.33 +/- 0.42   0.104% * 17.5479% (0.49   0.02   0.02) =   0.104%
    Distance limit 3.54 A violated in 20 structures by 1.61 A, eliminated.
    Peak unassigned.
 
    Peak 3189 (7.02, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 41.1:
          QD    PHE   95 - QG2   VAL  107   2.40 +/- 0.17  99.960% * 99.3326% (0.95   2.96  41.09) = 100.000%  kept
          HN    ALA   47 - QG2   VAL  107  11.24 +/- 0.26   0.010% *  0.5430% (0.76   0.02   0.02) =   0.000%
          QE    PHE   72 - QG2   VAL  107   9.37 +/- 0.42   0.030% *  0.1244% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 1.15, residual support = 2.78:
          HN    LEU  115 - QG2   VAL  107   3.62 +/- 0.44  93.159% * 97.7652% (0.90   1.15   2.78) =  99.938%  kept
          HN    PHE   97 - QG2   VAL  107   7.40 +/- 0.29   1.738% *  1.7059% (0.90   0.02   2.49) =   0.033%
          HN    ASP- 113 - QG2   VAL  107   5.92 +/- 0.40   5.103% *  0.5289% (0.28   0.02   0.02) =   0.030%
    Distance limit 4.31 A violated in 1 structures by 0.01 A, kept.
 
    Peak 3191 (9.15, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 2.97, residual support = 9.35:
          HN    VAL  108 - QG2   VAL  107   2.39 +/- 0.33  99.909% * 99.1884% (0.57   2.97   9.35) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  107   8.47 +/- 0.44   0.091% *  0.8116% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3192 (9.57, 1.09, 63.87 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.52, residual support = 54.4:
          HN    VAL  107 - QG1   VAL  107   2.62 +/- 0.27  99.996% * 99.4305% (0.99   3.52  54.44) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.50 +/- 0.45   0.004% *  0.5695% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3193 (9.18, 1.09, 63.87 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   7.18 +/- 0.27 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.89 A violated in 20 structures by 3.29 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 = 6.47:
      O   HN    ALA  110 - HA2   GLY  109   2.75 +/- 0.11  99.941% * 99.1246% (0.99   2.20   6.47) =  99.999%  kept
          HN    PHE   45 - HA2   GLY  109   9.49 +/- 0.26   0.059% *  0.8754% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.90 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 = 9.39:
      O   HN    GLY  109 - HA2   GLY  109   2.78 +/- 0.05  99.974% * 96.3960% (0.53   2.20   9.39) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109  11.20 +/- 0.38   0.024% *  1.5721% (0.95   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  18.50 +/- 0.32   0.001% *  1.6619% (1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  20.39 +/- 1.02   0.001% *  0.3700% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 3.76, residual support = 60.5:
      O   HN    VAL  108 - HB    VAL  108   2.39 +/- 0.07  99.996% * 99.3590% (0.57   3.76  60.48) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  12.76 +/- 0.50   0.004% *  0.6410% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.35:
          HN    GLY  109 - QG1   VAL  108   2.78 +/- 0.34  99.937% * 89.7984% (0.14   3.09   7.35) =  99.998%  kept
          HN    GLN   90 - QG1   VAL  108  10.42 +/- 0.48   0.042% *  3.7235% (0.87   0.02   0.02) =   0.002%
          HN    ILE  103 - QG1   VAL  108  12.93 +/- 0.78   0.018% *  2.9486% (0.69   0.02   0.02) =   0.001%
          HN    SER   82 - QG1   VAL  108  17.00 +/- 1.77   0.003% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  21.74 +/- 0.86   0.001% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 4.2, residual support = 60.5:
          HN    VAL  108 - QG1   VAL  108   3.68 +/- 0.11  99.827% * 99.4251% (0.57   4.20  60.48) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  10.73 +/- 0.77   0.173% *  0.5749% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.60 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 = 3.76, residual support = 60.5:
          HN    VAL  108 - QG2   VAL  108   2.86 +/- 0.21  99.939% * 99.3590% (0.57   3.76  60.48) = 100.000%  kept
          HN    VAL   43 - QG2   VAL  108  10.01 +/- 0.87   0.061% *  0.6410% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.745, support = 0.0186, residual support = 0.0186:
          HN    SER  117 - QG2   VAL  108  10.75 +/- 0.45  92.595% * 32.6470% (0.80   0.02   0.02) =  93.002%  kept
          HN    SER   82 - QG2   VAL  108  17.90 +/- 1.87   5.637% * 28.0060% (0.69   0.02   0.02) =   4.857%
          HN    GLY   16 - QG2   VAL  108  21.10 +/- 0.99   1.769% * 39.3470% (0.97   0.02   0.02) =   2.141%
    Distance limit 4.87 A violated in 20 structures by 5.88 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  15.60 +/- 0.81 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.32 A violated in 20 structures by 11.28 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   VAL  108   5.75 +/- 1.02 100.000% *100.0000% (0.28   0.02   0.02) = 100.000%  kept
    Distance limit 4.49 A violated in 20 structures by 1.25 A, eliminated.
    Peak unassigned.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.2, residual support = 312.3:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.29 +/- 0.01  99.742% * 96.1849% (0.69   6.20 312.26) =  99.999%  kept
          HB3   PRO   93 - HB3   LYS+ 111   7.61 +/- 0.67   0.084% *  0.3618% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB3   LYS+ 111   6.73 +/- 0.10   0.156% *  0.0791% (0.18   0.02  25.73) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  12.84 +/- 0.97   0.004% *  0.4509% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.00 +/- 0.57   0.003% *  0.4361% (0.97   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  11.15 +/- 0.66   0.008% *  0.1127% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  15.50 +/- 0.71   0.001% *  0.4429% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  16.44 +/- 1.68   0.001% *  0.4171% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  16.69 +/- 0.83   0.001% *  0.3774% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  21.59 +/- 1.12   0.000% *  0.4053% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  23.78 +/- 0.81   0.000% *  0.3453% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  21.60 +/- 0.76   0.000% *  0.1858% (0.41   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  21.49 +/- 1.30   0.000% *  0.0612% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  27.42 +/- 0.95   0.000% *  0.1395% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.764, support = 0.332, residual support = 0.475:
          QG2   VAL  107 - HB3   LYS+ 111   2.63 +/- 0.49  99.273% * 84.6057% (0.76   0.33   0.47) =  99.983%  kept
          QG2   THR   94 - HB3   LYS+ 111   6.76 +/- 0.63   0.411% *  1.8541% (0.28   0.02   0.02) =   0.009%
          HB3   LYS+ 112 - HB3   LYS+ 111   7.50 +/- 0.10   0.302% *  2.0582% (0.31   0.02  25.73) =   0.007%
          HG13  ILE  103 - HB3   LYS+ 111  14.22 +/- 0.76   0.005% *  6.6538% (1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HB3   LYS+ 111  13.41 +/- 0.43   0.008% *  3.5085% (0.53   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 111  18.79 +/- 0.43   0.001% *  1.3197% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.62, residual support = 312.3:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.99 +/- 0.01  98.126% * 99.7996% (0.97   6.62 312.26) =  99.999%  kept
          HA    VAL  108 - HB3   LYS+ 111   5.94 +/- 0.53   1.855% *  0.0482% (0.15   0.02   0.02) =   0.001%
          HA    PRO   52 - HB3   LYS+ 111  12.51 +/- 0.66   0.020% *  0.1522% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 5.17, residual support = 312.3:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.25 +/- 0.08  99.987% * 98.7831% (0.73   5.17 312.26) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111  10.28 +/- 0.25   0.011% *  0.1794% (0.34   0.02   1.21) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  13.96 +/- 0.40   0.002% *  0.1311% (0.25   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  21.85 +/- 1.13   0.000% *  0.3818% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  30.63 +/- 1.33   0.000% *  0.5246% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 312.3:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.46 +/- 0.10  99.322% * 98.7846% (1.00   7.06 312.26) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.93 +/- 0.31   0.101% *  0.2344% (0.84   0.02   1.21) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.65 +/- 1.15   0.151% *  0.0410% (0.15   0.02   1.05) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.63 +/- 0.53   0.018% *  0.2037% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.01 +/- 0.92   0.397% *  0.0087% (0.03   0.02   6.85) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  23.35 +/- 1.32   0.001% *  0.2800% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  18.22 +/- 1.07   0.005% *  0.0410% (0.15   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  20.89 +/- 0.67   0.002% *  0.0563% (0.20   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  22.73 +/- 0.82   0.001% *  0.0471% (0.17   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  24.29 +/- 0.64   0.001% *  0.0563% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  32.10 +/- 1.34   0.000% *  0.2037% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  24.86 +/- 0.70   0.001% *  0.0433% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 312.3:
          HN    LYS+ 111 - HG2   LYS+ 111   3.85 +/- 0.19  99.548% * 94.2715% (0.18   6.51 312.26) =  99.997%  kept
          QE    PHE   60 - HG2   LYS+ 111  10.20 +/- 0.49   0.296% *  0.5103% (0.31   0.02   0.02) =   0.002%
          HN    ILE   56 - HG2   LYS+ 111  11.78 +/- 0.29   0.128% *  0.8047% (0.49   0.02   1.21) =   0.001%
          HN    LEU   63 - HG2   LYS+ 111  16.15 +/- 0.33   0.019% *  1.0027% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  21.21 +/- 2.22   0.004% *  1.4827% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  23.93 +/- 0.94   0.002% *  1.6386% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  21.62 +/- 1.30   0.003% *  0.2895% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 1 structures by 0.01 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.53, residual support = 312.3:
          HN    LYS+ 111 - HG3   LYS+ 111   3.37 +/- 0.23  99.704% * 98.0155% (0.65   6.53 312.26) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.65 +/- 0.34   0.113% *  0.4479% (0.97   0.02   1.21) =   0.001%
          HN    LEU   63 - HG3   LYS+ 111  16.05 +/- 0.34   0.010% *  0.4631% (1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  11.95 +/- 0.75   0.058% *  0.0479% (0.10   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  12.47 +/- 1.25   0.054% *  0.0495% (0.11   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  13.32 +/- 0.43   0.029% *  0.0281% (0.06   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  21.48 +/- 1.20   0.002% *  0.3002% (0.65   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  15.25 +/- 0.82   0.013% *  0.0321% (0.07   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  15.44 +/- 0.77   0.012% *  0.0321% (0.07   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  21.67 +/- 2.15   0.002% *  0.1742% (0.38   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  24.52 +/- 0.83   0.001% *  0.2628% (0.57   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  21.84 +/- 0.90   0.002% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  20.96 +/- 0.98   0.002% *  0.0124% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  32.46 +/- 1.36   0.000% *  0.1157% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 5.65, residual support = 27.0:
          HN    VAL   75 - HG2   LYS+  74   3.54 +/- 0.28  99.524% * 92.7257% (0.09   5.65  26.97) =  99.997%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.73 +/- 0.92   0.461% *  0.4060% (0.11   0.02   0.02) =   0.002%
          HN    VAL   75 - HG3   LYS+ 111  17.20 +/- 0.60   0.009% *  3.0692% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  18.19 +/- 0.74   0.006% *  3.7990% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.725, support = 1.18, residual support = 3.7:
        T HB2   LEU  115 - HA    LYS+ 112   2.83 +/- 0.30  95.071% * 29.1935% (0.76   0.75   2.17) =  93.436%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.20 +/- 0.23   2.925% * 66.1551% (0.18   7.42  25.73) =   6.513%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.79 +/- 0.36   1.898% *  0.7397% (0.73   0.02   0.02) =   0.047%
          HG3   PRO   58 - HA    LYS+ 112   9.04 +/- 0.48   0.100% *  0.8157% (0.80   0.02   0.02) =   0.003%
          HB2   LEU   67 - HA    LYS+ 112  16.95 +/- 0.45   0.002% *  0.3823% (0.38   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  21.45 +/- 0.41   0.001% *  0.8157% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  21.67 +/- 0.53   0.001% *  0.8836% (0.87   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  17.49 +/- 0.74   0.002% *  0.1784% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  21.56 +/- 0.65   0.001% *  0.2268% (0.22   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  23.09 +/- 0.71   0.000% *  0.2268% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  30.32 +/- 0.66   0.000% *  0.3823% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.834, support = 0.02, residual support = 0.631:
        T QD1   ILE   56 - HA    LYS+ 112   3.80 +/- 0.27  99.830% * 27.7159% (0.84   0.02   0.63) =  99.901%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  13.70 +/- 0.69   0.051% * 30.6308% (0.92   0.02   0.02) =   0.056%
          QD2   LEU  123 - HA    LYS+ 112  12.03 +/- 0.35   0.107% *  9.2258% (0.28   0.02   0.02) =   0.036%
          QD2   LEU   73 - HA    LYS+ 112  17.82 +/- 0.28   0.010% * 18.7861% (0.57   0.02   0.02) =   0.007%
          HG    LEU   31 - HA    LYS+ 112  24.07 +/- 0.66   0.002% * 13.6415% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 13 structures by 0.21 A, eliminated.
    Peak unassigned.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.743, support = 0.02, residual support = 0.121:
          QE    PHE   95 - HA    LYS+ 112   4.58 +/- 0.34  65.630% * 16.2019% (0.57   0.02   0.02) =  53.350%  kept
          QD    PHE   55 - HA    LYS+ 112   5.17 +/- 0.34  34.331% * 27.0710% (0.95   0.02   0.24) =  46.629%  kept
          HE3   TRP   27 - HA    LYS+ 112  20.68 +/- 0.33   0.008% * 28.0508% (0.98   0.02   0.02) =   0.011%
          HN    LEU   67 - HA    LYS+ 112  16.87 +/- 0.46   0.027% *  5.6634% (0.20   0.02   0.02) =   0.008%
          HN    THR   23 - HA    LYS+ 112  25.26 +/- 0.66   0.002% * 15.0563% (0.53   0.02   0.02) =   0.002%
          HN    LYS+  81 - HA    LYS+ 112  25.84 +/- 1.05   0.002% *  7.9567% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 14 structures by 0.18 A, eliminated.
    Peak unassigned.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.83, residual support = 235.4:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.77 +/- 0.02  99.990% * 99.0453% (0.92   5.83 235.38) = 100.000%  kept
          HN    THR   46 - HA    LYS+ 112  15.18 +/- 0.25   0.004% *  0.1652% (0.45   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LYS+ 112  14.16 +/- 0.58   0.006% *  0.1024% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  19.44 +/- 0.31   0.001% *  0.3195% (0.87   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  37.57 +/- 2.43   0.000% *  0.3676% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 6.35, residual support = 235.4:
          HN    LYS+ 112 - HG2   LYS+ 112   3.27 +/- 0.47  99.991% * 98.9973% (0.41   6.35 235.38) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  18.98 +/- 0.79   0.003% *  0.5796% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  17.20 +/- 0.81   0.006% *  0.2341% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  37.74 +/- 2.68   0.000% *  0.1891% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.695, support = 0.0199, residual support = 0.0199:
          QE    PHE   59 - HG2   LYS+ 112   7.59 +/- 0.80  34.852% * 30.2011% (0.90   0.02   0.02) =  48.302%  kept
          HN    PHE   59 - HG2   LYS+ 112   7.10 +/- 0.96  52.263% * 17.7173% (0.53   0.02   0.02) =  42.491%  kept
          QD    PHE   60 - HG2   LYS+ 112   8.99 +/- 0.79  12.457% * 15.0977% (0.45   0.02   0.02) =   8.630%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.01 +/- 0.93   0.399% * 31.0863% (0.92   0.02   0.02) =   0.569%
          HN    LYS+  81 - HG2   LYS+ 112  25.30 +/- 1.34   0.029% *  5.8976% (0.18   0.02   0.02) =   0.008%
    Distance limit 4.57 A violated in 20 structures by 1.77 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.59, residual support = 235.4:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.31 +/- 0.35  99.987% * 92.1895% (0.20   4.59 235.38) = 100.000%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.40 +/- 0.98   0.010% *  2.0126% (0.99   0.02   0.02) =   0.000%
          HG3   MET   96 - HG2   LYS+ 112  17.58 +/- 0.70   0.001% *  1.3948% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  14.71 +/- 0.73   0.002% *  0.4018% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  28.19 +/- 1.34   0.000% *  1.6961% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  31.48 +/- 1.06   0.000% *  1.3948% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  32.92 +/- 1.87   0.000% *  0.9104% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.198, support = 4.65, residual support = 235.4:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.71 +/- 0.32  99.982% * 92.2793% (0.20   4.65 235.38) = 100.000%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  12.31 +/- 0.94   0.013% *  1.9895% (0.99   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   LYS+ 112  18.35 +/- 0.83   0.001% *  1.3788% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  15.09 +/- 0.72   0.004% *  0.3972% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  28.21 +/- 1.22   0.000% *  1.6766% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  32.18 +/- 1.17   0.000% *  1.3788% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  33.83 +/- 1.57   0.000% *  0.8999% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.273, support = 0.0197, residual support = 0.0197:
          QE    PHE   95 - HG3   LYS+ 112   6.58 +/- 0.65  99.427% *  6.9459% (0.28   0.02   0.02) =  98.316%  kept
          HD1   TRP   49 - HG3   LYS+ 112  18.88 +/- 1.95   0.294% * 24.1093% (0.97   0.02   0.02) =   1.009%
          HN    LEU   67 - HG3   LYS+ 112  18.57 +/- 0.92   0.208% * 17.1603% (0.69   0.02   0.02) =   0.508%
          HD2   HIS   22 - HG3   LYS+ 112  26.13 +/- 1.35   0.028% * 24.9820% (1.00   0.02   0.02) =   0.100%
          HN    THR   23 - HG3   LYS+ 112  25.62 +/- 1.19   0.031% *  7.7106% (0.31   0.02   0.02) =   0.034%
          HD21  ASN   35 - HG3   LYS+ 112  29.95 +/- 1.61   0.012% * 19.0919% (0.76   0.02   0.02) =   0.033%
    Distance limit 4.73 A violated in 20 structures by 1.84 A, eliminated.
    Peak unassigned.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.06, residual support = 235.4:
          HN    LYS+ 112 - HG3   LYS+ 112   3.26 +/- 0.26  99.993% * 98.9505% (0.41   6.06 235.38) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  19.13 +/- 0.89   0.003% *  0.6066% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  17.77 +/- 0.97   0.004% *  0.2450% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  38.60 +/- 2.86   0.000% *  0.1979% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.76, residual support = 235.4:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.38 +/- 0.15  99.991% * 90.6352% (0.20   3.76 235.38) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  11.99 +/- 0.89   0.007% *  2.4131% (0.99   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  19.41 +/- 1.15   0.000% *  1.6724% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  16.26 +/- 1.09   0.001% *  0.4818% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  29.54 +/- 1.43   0.000% *  2.0336% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  33.00 +/- 1.16   0.000% *  1.6724% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  34.51 +/- 1.44   0.000% *  1.0915% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 235.4:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.67 +/- 0.17  99.987% * 99.2484% (0.85   5.70 235.38) = 100.000%  kept
          QG1   VAL   42 - HD3   LYS+ 112  13.17 +/- 0.74   0.008% *  0.3846% (0.94   0.02   0.02) =   0.000%
          QB    ALA   47 - HD3   LYS+ 112  14.18 +/- 1.01   0.005% *  0.3670% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 235.4:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.38 +/- 0.14  99.988% * 89.4571% (0.19   3.30 235.38) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.57 +/- 1.27   0.010% *  2.7167% (0.94   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  18.98 +/- 1.06   0.000% *  1.8828% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  16.43 +/- 1.01   0.001% *  0.5424% (0.19   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  29.87 +/- 1.45   0.000% *  2.2894% (0.79   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  32.94 +/- 1.06   0.000% *  1.8828% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  34.08 +/- 1.78   0.000% *  1.2288% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 4.59, residual support = 235.4:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.31 +/- 0.35  99.898% * 98.7915% (0.75   4.59 235.38) = 100.000%  kept
          QB    ALA   47 - QE    LYS+ 112  11.20 +/- 0.91   0.018% *  0.4542% (0.79   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  10.65 +/- 0.35   0.014% *  0.4759% (0.83   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   8.52 +/- 0.38   0.059% *  0.0974% (0.17   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB3   ASP-  62  11.40 +/- 0.98   0.010% *  0.0881% (0.15   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  16.48 +/- 0.34   0.001% *  0.0929% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 0.632, residual support = 0.632:
          QD1   ILE   56 - QE    LYS+ 112   3.59 +/- 0.20  97.299% * 77.4679% (0.44   0.63   0.63) =  99.976%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.32 +/- 0.20   1.422% *  0.5015% (0.09   0.02   0.02) =   0.009%
          QG2   THR   46 - QE    LYS+ 112   9.99 +/- 0.83   0.256% *  1.4379% (0.26   0.02   0.02) =   0.005%
          QG2   VAL   18 - HB3   ASP-  62   8.47 +/- 0.72   0.721% *  0.3919% (0.07   0.02   0.02) =   0.004%
          QG2   VAL   18 - QE    LYS+ 112  11.67 +/- 0.63   0.089% *  1.9152% (0.34   0.02   0.02) =   0.002%
          QG1   VAL   43 - QE    LYS+ 112  13.86 +/- 0.32   0.031% *  3.0137% (0.54   0.02   0.02) =   0.001%
          QD2   LEU   73 - QE    LYS+ 112  15.86 +/- 0.36   0.013% *  3.7303% (0.67   0.02   0.02) =   0.001%
          QG1   VAL   41 - QE    LYS+ 112  17.01 +/- 0.38   0.009% *  3.8912% (0.70   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB3   ASP-  62  13.82 +/- 0.39   0.032% *  0.7632% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   ASP-  62  13.66 +/- 0.39   0.034% *  0.6166% (0.11   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   ASP-  62  12.12 +/- 0.54   0.070% *  0.2942% (0.05   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB3   ASP-  62  15.21 +/- 0.43   0.018% *  0.7961% (0.14   0.02   0.02) =   0.000%
          HG    LEU   31 - QE    LYS+ 112  21.96 +/- 0.60   0.002% *  4.3004% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  21.54 +/- 1.16   0.002% *  0.8799% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 235.4:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.71 +/- 0.32  86.266% * 98.8167% (0.81   4.65 235.38) =  99.987%  kept
          HG    LEU   63 - HB3   ASP-  62   4.28 +/- 1.14  13.629% *  0.0809% (0.15   0.02  42.51) =   0.013%
          HG    LEU   63 - QE    LYS+ 112   9.72 +/- 1.20   0.063% *  0.3953% (0.75   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.93 +/- 0.89   0.023% *  0.1099% (0.21   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  12.31 +/- 0.94   0.011% *  0.0870% (0.16   0.02   0.02) =   0.000%
          QG2   VAL   24 - QE    LYS+ 112  18.98 +/- 0.56   0.001% *  0.3368% (0.64   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.08 +/- 0.63   0.002% *  0.0680% (0.13   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  16.01 +/- 0.55   0.002% *  0.0225% (0.04   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  15.26 +/- 0.82   0.003% *  0.0139% (0.03   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  20.74 +/- 0.39   0.000% *  0.0689% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.317, support = 0.0197, residual support = 0.0197:
          HG13  ILE  119 - HB3   ASP-  62   4.74 +/- 0.77  80.698% *  2.8239% (0.11   0.02   0.02) =  47.867%  kept
        T QG2   VAL  107 - QE    LYS+ 112   6.96 +/- 0.47  11.246% * 12.9407% (0.51   0.02   0.02) =  30.570%  kept
          HG13  ILE  119 - QE    LYS+ 112   7.96 +/- 1.25   6.941% * 13.8021% (0.54   0.02   0.02) =  20.123%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  14.68 +/- 0.83   0.120% * 17.8210% (0.70   0.02   0.02) =   0.448%
          QB    ALA   20 - QE    LYS+ 112  15.28 +/- 0.60   0.087% * 21.2883% (0.83   0.02   0.02) =   0.388%
          QG2   VAL  107 - HB3   ASP-  62  10.95 +/- 0.52   0.555% *  2.6477% (0.10   0.02   0.02) =   0.308%
          QB    ALA   20 - HB3   ASP-  62  14.17 +/- 0.58   0.141% *  4.3556% (0.17   0.02   0.02) =   0.129%
          HG2   LYS+ 121 - HB3   ASP-  62  13.57 +/- 0.97   0.144% *  3.6462% (0.14   0.02   0.02) =   0.111%
          HG13  ILE  103 - QE    LYS+ 112  17.93 +/- 0.47   0.034% *  4.2223% (0.17   0.02   0.02) =   0.030%
          HB3   LEU   31 - QE    LYS+ 112  23.50 +/- 0.39   0.007% * 12.9407% (0.51   0.02   0.02) =   0.018%
          HB3   LEU   31 - HB3   ASP-  62  22.81 +/- 0.51   0.007% *  2.6477% (0.10   0.02   0.02) =   0.004%
          HG13  ILE  103 - HB3   ASP-  62  19.17 +/- 0.73   0.020% *  0.8639% (0.03   0.02   0.02) =   0.004%
    Distance limit 3.52 A violated in 19 structures by 1.02 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 0.236, residual support = 0.236:
          QD    PHE   55 - QE    LYS+ 112   2.99 +/- 0.58  95.449% * 67.8445% (0.72   0.24   0.24) =  99.615%  kept
          QE    PHE   95 - QE    LYS+ 112   5.70 +/- 0.35   3.742% *  6.4657% (0.82   0.02   0.02) =   0.372%
          HN    LEU   67 - HB3   ASP-  62   7.33 +/- 0.55   0.618% *  0.8731% (0.11   0.02   0.02) =   0.008%
          QE    PHE   95 - HB3   ASP-  62   9.96 +/- 0.40   0.105% *  1.3229% (0.17   0.02   0.02) =   0.002%
          QD    PHE   55 - HB3   ASP-  62  11.23 +/- 0.54   0.058% *  1.1707% (0.15   0.02   0.02) =   0.001%
          HN    LEU   67 - QE    LYS+ 112  14.97 +/- 1.07   0.012% *  4.2672% (0.54   0.02   0.02) =   0.001%
          HE3   TRP   27 - QE    LYS+ 112  18.45 +/- 0.46   0.003% *  5.2819% (0.67   0.02   0.02) =   0.000%
          HD1   TRP   49 - QE    LYS+ 112  16.42 +/- 1.54   0.007% *  2.0359% (0.26   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  21.84 +/- 0.84   0.001% *  6.3659% (0.81   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  18.34 +/- 0.45   0.003% *  1.0807% (0.14   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  22.05 +/- 0.90   0.001% *  1.3054% (0.17   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  22.63 +/- 0.64   0.001% *  1.3025% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  22.82 +/- 1.44   0.001% *  0.4166% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  21.84 +/- 0.74   0.001% *  0.2671% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 3.2, residual support = 20.0:
          HN    GLU- 114 - QB    ASP- 113   2.45 +/- 0.12  98.482% * 97.9504% (0.84   3.20  19.98) =  99.989%  kept
          HN    GLN  116 - QB    ASP- 113   5.06 +/- 0.11   1.333% *  0.7187% (0.98   0.02   1.50) =   0.010%
          HN    THR  118 - QB    ASP- 113   7.14 +/- 0.35   0.180% *  0.5871% (0.80   0.02   0.02) =   0.001%
          HN    PHE   60 - QB    ASP- 113  12.85 +/- 0.20   0.005% *  0.4151% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  21.99 +/- 0.57   0.000% *  0.3287% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 3.19, residual support = 13.6:
      O   HN    ASP- 113 - QB    ASP- 113   2.14 +/- 0.07  99.999% * 99.8881% (0.98   3.19  13.57) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  14.75 +/- 1.10   0.001% *  0.1119% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.399, support = 0.0194, residual support = 0.0194:
        T QG1   ILE   56 - HA    ASP- 113   9.94 +/- 0.22  96.620% * 20.6001% (0.41   0.02   0.02) =  97.174%  kept
          HB    ILE   89 - HA    ASP- 113  24.11 +/- 1.13   0.502% * 46.2556% (0.92   0.02   0.02) =   1.133%
        T HB3   LYS+  99 - HA    ASP- 113  22.31 +/- 0.84   0.775% * 26.3630% (0.53   0.02   0.02) =   0.997%
          HB    VAL   43 - HA    ASP- 113  18.86 +/- 0.61   2.104% *  6.7814% (0.14   0.02   0.02) =   0.696%
    Distance limit 4.13 A violated in 20 structures by 5.82 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.73, support = 4.36, residual support = 49.2:
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.02  45.908% * 46.1589% (0.84   3.79  38.88) =  77.196%  kept
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.02  10.467% * 49.8274% (0.45   7.57 100.83) =  18.999%  kept
          HN    THR  118 - HA    LEU  115   2.96 +/- 0.11  34.715% *  2.9489% (0.37   0.55   0.46) =   3.729%
          HN    THR  118 - HA    GLU- 114   4.27 +/- 0.28   4.213% *  0.2338% (0.80   0.02   0.34) =   0.036%
          HN    GLN  116 - HA    GLU- 114   4.41 +/- 0.16   3.254% *  0.2862% (0.98   0.02   0.21) =   0.034%
          HN    GLU- 114 - HA    LEU  115   5.07 +/- 0.10   1.366% *  0.1122% (0.38   0.02  17.69) =   0.006%
          HN    PHE   60 - HA    LEU  115   8.38 +/- 0.42   0.071% *  0.0761% (0.26   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.99 +/- 0.36   0.005% *  0.1653% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.13 +/- 0.55   0.001% *  0.0602% (0.21   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  21.13 +/- 0.84   0.000% *  0.1309% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.527, support = 7.29, residual support = 181.6:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.02  79.520% * 41.7004% (0.41   7.97 232.31) =  76.390%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.03  17.709% * 57.8644% (0.90   5.09  17.69) =  23.606%  kept
          HN    ASP- 113 - HA    GLU- 114   5.06 +/- 0.07   2.238% *  0.0705% (0.28   0.02  19.98) =   0.004%
          HN    ASP- 113 - HA    LEU  115   6.52 +/- 0.14   0.492% *  0.0325% (0.13   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.36 +/- 0.40   0.031% *  0.1047% (0.41   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.71 +/- 0.97   0.010% *  0.2275% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.806, support = 3.79, residual support = 38.9:
      O   HN    GLU- 114 - QB    GLU- 114   2.24 +/- 0.10  98.001% * 98.2666% (0.81   3.79  38.88) =  99.989%  kept
          HN    THR  118 - QB    GLU- 114   4.85 +/- 0.33   1.154% *  0.4965% (0.77   0.02   0.34) =   0.006%
          HN    GLN  116 - QB    GLU- 114   5.05 +/- 0.26   0.837% *  0.6078% (0.95   0.02   0.21) =   0.005%
          HN    PHE   60 - QB    GLU- 114  11.20 +/- 0.87   0.008% *  0.3511% (0.55   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  18.30 +/- 1.16   0.000% *  0.2780% (0.43   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.865, support = 4.97, residual support = 17.7:
          HN    LEU  115 - QB    GLU- 114   3.15 +/- 0.43  86.542% * 99.4753% (0.87   4.97  17.69) =  99.980%  kept
          HN    ASP- 113 - QB    GLU- 114   4.43 +/- 0.14  13.382% *  0.1242% (0.27   0.02  19.98) =   0.019%
          HN    PHE   97 - QB    GLU- 114  10.22 +/- 1.14   0.076% *  0.4005% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.833, support = 4.64, residual support = 38.9:
          HN    GLU- 114 - QG    GLU- 114   2.62 +/- 0.22  92.153% * 98.5795% (0.83   4.65  38.88) =  99.962%  kept
          HN    THR  118 - QG    GLU- 114   4.95 +/- 0.93   4.526% *  0.4069% (0.80   0.02   0.34) =   0.020%
          HN    GLN  116 - QG    GLU- 114   4.99 +/- 0.70   3.289% *  0.4981% (0.98   0.02   0.21) =   0.018%
          HN    PHE   60 - QG    GLU- 114  10.48 +/- 1.05   0.032% *  0.2877% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  17.74 +/- 0.64   0.001% *  0.2278% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 5.64, residual support = 17.7:
          HN    LEU  115 - QG    GLU- 114   2.88 +/- 0.94  99.780% * 98.5048% (0.45   5.64  17.69) =  99.999%  kept
          HN    PHE   97 - QG    GLU- 114   9.71 +/- 0.23   0.218% *  0.3491% (0.45   0.02   0.02) =   0.001%
          HN    ASN   35 - QG    GLU- 114  21.71 +/- 0.44   0.002% *  0.4096% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  31.76 +/- 1.71   0.000% *  0.7365% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.978, support = 0.916, residual support = 3.65:
          QG1   VAL  107 - QG    GLU- 114   3.18 +/- 0.24  99.300% * 94.9145% (0.98   0.92   3.65) =  99.990%  kept
          HD3   LYS+ 112 - QG    GLU- 114   8.11 +/- 0.72   0.442% *  1.7658% (0.83   0.02   0.02) =   0.008%
          HG13  ILE  119 - QG    GLU- 114   8.95 +/- 1.28   0.247% *  0.4707% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG    GLU- 114  17.21 +/- 1.21   0.005% *  1.9516% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  17.37 +/- 0.52   0.004% *  0.3702% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  20.50 +/- 0.42   0.001% *  0.5272% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.582, support = 0.0199, residual support = 3.64:
        T QG2   VAL  107 - QB    GLU- 114   2.99 +/- 0.86  99.566% * 15.5884% (0.59   0.02   3.65) =  99.498%  kept
          HG2   LYS+ 121 - QB    GLU- 114   9.53 +/- 0.55   0.202% * 21.4672% (0.81   0.02   0.02) =   0.278%
          HG13  ILE  119 - QB    GLU- 114   9.33 +/- 0.45   0.193% * 16.6260% (0.62   0.02   0.02) =   0.206%
          HG13  ILE  103 - QB    GLU- 114  12.28 +/- 1.01   0.034% *  5.0862% (0.19   0.02   0.02) =   0.011%
          QB    ALA   20 - QB    GLU- 114  18.09 +/- 0.92   0.004% * 25.6438% (0.96   0.02   0.02) =   0.006%
          HB3   LEU   31 - QB    GLU- 114  21.17 +/- 1.30   0.001% * 15.5884% (0.59   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 8 structures by 0.13 A, eliminated.
    Peak unassigned.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.38, residual support = 232.3:
      O T HA    LEU  115 - HB3   LEU  115   2.22 +/- 0.02  99.760% * 98.0777% (0.92   6.38 232.31) = 100.000%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.48 +/- 0.04   0.160% *  0.1493% (0.45   0.02  17.69) =   0.000%
          HA    ALA   34 - HB3   LEU   40   7.71 +/- 0.29   0.059% *  0.0313% (0.09   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU  115  11.75 +/- 0.37   0.005% *  0.2782% (0.84   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  15.36 +/- 0.42   0.001% *  0.2418% (0.73   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.72 +/- 0.76   0.009% *  0.0237% (0.07   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.82 +/- 0.44   0.001% *  0.0370% (0.11   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  15.22 +/- 0.66   0.001% *  0.0361% (0.11   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  21.53 +/- 0.46   0.000% *  0.2667% (0.80   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  22.68 +/- 0.43   0.000% *  0.3150% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.31 +/- 0.83   0.000% *  0.2020% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  15.52 +/- 0.69   0.001% *  0.0284% (0.09   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.06 +/- 0.59   0.003% *  0.0087% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  23.90 +/- 1.05   0.000% *  0.1028% (0.31   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.63 +/- 0.98   0.000% *  0.0175% (0.05   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  21.97 +/- 0.72   0.000% *  0.0326% (0.10   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.95 +/- 0.45   0.000% *  0.0583% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  27.28 +/- 0.45   0.000% *  0.0741% (0.22   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  18.89 +/- 0.54   0.000% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  27.77 +/- 0.72   0.000% *  0.0121% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 6.13, residual support = 232.3:
      O T QD1   LEU  115 - HB3   LEU  115   2.58 +/- 0.31  99.988% * 99.5515% (0.87   6.13 232.31) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  14.21 +/- 1.15   0.005% *  0.3672% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.60 +/- 1.09   0.004% *  0.0431% (0.12   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  15.07 +/- 0.50   0.003% *  0.0381% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.448, support = 7.33, residual support = 232.3:
      O T QD2   LEU  115 - HB3   LEU  115   2.41 +/- 0.18  88.573% * 97.3348% (0.45   7.33 232.31) =  99.981%  kept
          QD1   LEU   63 - HB3   LEU  115   4.64 +/- 0.46   2.456% *  0.4744% (0.80   0.02   0.02) =   0.014%
          QD2   LEU   63 - HB3   LEU  115   6.15 +/- 0.84   0.614% *  0.5469% (0.92   0.02   0.02) =   0.004%
          QD1   LEU  104 - HB3   LEU   40   4.24 +/- 0.94   7.779% *  0.0155% (0.03   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   40   6.43 +/- 0.20   0.283% *  0.0261% (0.04   0.02  21.05) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   8.17 +/- 1.22   0.102% *  0.0642% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   8.70 +/- 0.65   0.049% *  0.0557% (0.09   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.53 +/- 0.61   0.109% *  0.0155% (0.03   0.02  11.00) =   0.000%
          QD1   LEU   73 - HB3   LEU   40  10.11 +/- 0.50   0.020% *  0.0557% (0.09   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  13.66 +/- 0.37   0.003% *  0.2224% (0.38   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  15.63 +/- 0.29   0.001% *  0.4744% (0.80   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  12.99 +/- 0.39   0.004% *  0.1319% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  13.78 +/- 1.05   0.003% *  0.1319% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  13.72 +/- 0.64   0.003% *  0.0312% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  19.88 +/- 1.13   0.000% *  0.2436% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  20.62 +/- 2.10   0.000% *  0.1319% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  19.64 +/- 0.87   0.000% *  0.0286% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  21.20 +/- 1.49   0.000% *  0.0155% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.965, support = 7.91, residual support = 92.8:
          HN    GLN  116 - HB3   LEU  115   4.13 +/- 0.08  43.970% * 79.1707% (0.98   8.37 100.83) =  91.980%  kept
          HN    THR  118 - HB3   LEU  115   4.96 +/- 0.13  14.811% * 20.3901% (0.80   2.64   0.46) =   7.980%  kept
          HN    GLU- 114 - HB3   LEU  115   5.83 +/- 0.11   5.493% *  0.1612% (0.84   0.02  17.69) =   0.023%
          HN    LEU   71 - HB3   LEU   40   4.55 +/- 0.81  32.827% *  0.0102% (0.05   0.02   0.02) =   0.009%
          HN    PHE   60 - HB3   LEU  115   6.57 +/- 0.32   2.838% *  0.1093% (0.57   0.02   0.02) =   0.008%
          HN    LEU   71 - HB3   LEU  115  17.01 +/- 0.42   0.009% *  0.0865% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  15.27 +/- 0.61   0.018% *  0.0181% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  14.36 +/- 0.74   0.025% *  0.0128% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  18.32 +/- 0.58   0.006% *  0.0222% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  19.87 +/- 0.78   0.004% *  0.0189% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 0.897, support = 7.52, residual support = 232.3:
      O   HN    LEU  115 - HB3   LEU  115   3.36 +/- 0.07  97.841% * 99.5811% (0.90   7.52 232.31) =  99.998%  kept
          HN    ASP- 113 - HB3   LEU  115   6.55 +/- 0.21   1.821% *  0.0821% (0.28   0.02   0.02) =   0.002%
          HN    PHE   97 - HB3   LEU  115  11.08 +/- 0.33   0.077% *  0.2650% (0.90   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.14 +/- 0.40   0.255% *  0.0311% (0.11   0.02   0.94) =   0.000%
          HN    LEU  115 - HB3   LEU   40  17.89 +/- 0.72   0.004% *  0.0311% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.61 +/- 0.62   0.001% *  0.0096% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.17:
        T HA    LYS+ 112 - HB2   LEU  115   2.83 +/- 0.30  99.960% * 96.1906% (0.69   0.75   2.17) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  12.78 +/- 0.18   0.014% *  1.5352% (0.41   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  11.69 +/- 0.50   0.026% *  0.7390% (0.20   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  24.74 +/- 0.58   0.000% *  1.5352% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.5, residual support = 6.81:
          QE    PHE   95 - HB2   LEU  115   2.14 +/- 0.22  99.920% * 95.1014% (0.98   1.50   6.81) =  99.999%  kept
          QD    PHE   55 - HB2   LEU  115   7.22 +/- 0.35   0.079% *  1.1221% (0.87   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   LEU  115  15.12 +/- 0.49   0.001% *  0.8369% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU  115  18.53 +/- 0.40   0.000% *  1.0359% (0.80   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  23.57 +/- 0.64   0.000% *  1.2484% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU  115  20.20 +/- 1.48   0.000% *  0.3993% (0.31   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  24.58 +/- 0.62   0.000% *  0.2560% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.772, support = 7.4, residual support = 95.7:
          HN    GLN  116 - HB2   LEU  115   3.49 +/- 0.12  73.066% * 80.4284% (0.80   7.61 100.83) =  93.838%  kept
          HN    GLU- 114 - HB2   LEU  115   4.34 +/- 0.11  20.268% * 18.9549% (0.34   4.21  17.69) =   6.135%  kept
          HN    THR  118 - HB2   LEU  115   5.29 +/- 0.06   6.099% *  0.2588% (0.98   0.02   0.46) =   0.025%
          HN    PHE   60 - HB2   LEU  115   7.87 +/- 0.27   0.566% *  0.2588% (0.98   0.02   0.02) =   0.002%
          HN    GLU-  15 - HB2   LEU  115  24.75 +/- 0.90   0.001% *  0.0991% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.42, residual support = 232.3:
      O   HN    LEU  115 - HB2   LEU  115   2.06 +/- 0.06  99.407% * 99.6482% (0.90   7.42 232.31) =  99.999%  kept
          HN    ASP- 113 - HB2   LEU  115   4.88 +/- 0.22   0.591% *  0.0833% (0.28   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  11.96 +/- 0.32   0.003% *  0.2685% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.613, support = 5.62, residual support = 70.7:
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.02  10.457% * 84.1489% (0.82   7.57 100.83) =  58.525%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.02  45.865% *  9.8156% (0.19   3.79  38.88) =  29.942%  kept
          HN    THR  118 - HA    LEU  115   2.96 +/- 0.11  34.683% *  4.9802% (0.67   0.55   0.46) =  11.488%  kept
          HN    GLU- 114 - HA    LEU  115   5.07 +/- 0.10   1.365% *  0.1896% (0.70   0.02  17.69) =   0.017%
          HN    THR  118 - HA    GLU- 114   4.27 +/- 0.28   4.209% *  0.0497% (0.18   0.02   0.34) =   0.014%
          HN    GLN  116 - HA    GLU- 114   4.41 +/- 0.16   3.251% *  0.0609% (0.22   0.02   0.21) =   0.013%
          HN    PHE   60 - HA    LEU  115   8.38 +/- 0.42   0.071% *  0.1285% (0.47   0.02   0.02) =   0.001%
          HN    PHE   60 - HA    ARG+  54   8.04 +/- 0.14   0.086% *  0.0720% (0.27   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  14.22 +/- 0.39   0.003% *  0.1247% (0.46   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  15.44 +/- 0.25   0.002% *  0.1063% (0.39   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.99 +/- 0.36   0.005% *  0.0352% (0.13   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.53 +/- 0.33   0.001% *  0.1019% (0.37   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.13 +/- 0.55   0.001% *  0.1017% (0.37   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  20.85 +/- 0.30   0.000% *  0.0570% (0.21   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  21.13 +/- 0.84   0.000% *  0.0278% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.721, support = 7.67, residual support = 223.6:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.02  79.511% * 84.5905% (0.75   7.97 232.31) =  96.253%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.03  17.707% * 14.7801% (0.20   5.09  17.69) =   3.745%
          HN    ASP- 113 - HA    GLU- 114   5.06 +/- 0.07   2.238% *  0.0180% (0.06   0.02  19.98) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.52 +/- 0.14   0.492% *  0.0658% (0.23   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.36 +/- 0.40   0.031% *  0.2124% (0.75   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.86 +/- 0.28   0.005% *  0.1191% (0.42   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.71 +/- 0.97   0.010% *  0.0581% (0.20   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  14.35 +/- 0.34   0.004% *  0.0369% (0.13   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.15 +/- 0.26   0.001% *  0.1191% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.778, support = 7.6, residual support = 232.3:
          HN    LEU  115 - HG    LEU  115   3.34 +/- 0.53  92.308% * 99.4516% (0.78   7.60 232.31) =  99.993%  kept
          HN    ASP- 113 - HG    LEU  115   5.20 +/- 0.86   6.561% *  0.0812% (0.24   0.02   0.02) =   0.006%
          HN    PHE   97 - HG    LEU   40   7.44 +/- 0.35   1.081% *  0.0889% (0.26   0.02   0.94) =   0.001%
          HN    PHE   97 - HG    LEU  115  13.75 +/- 0.58   0.037% *  0.2618% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  16.52 +/- 0.68   0.011% *  0.0889% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.23 +/- 0.61   0.003% *  0.0276% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 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  10.83 +/- 0.68 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 4.29 A violated in 20 structures by 6.55 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.564, support = 1.49, residual support = 6.78:
          QE    PHE   95 - QD1   LEU  115   3.29 +/- 0.20  85.606% * 93.5487% (0.57   1.50   6.81) =  99.628%  kept
          QD    PHE   55 - QD1   LEU  115   4.54 +/- 0.43  14.352% *  2.0841% (0.95   0.02   0.02) =   0.372%
          HN    LEU   67 - QD1   LEU  115  12.23 +/- 0.56   0.033% *  0.4360% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - QD1   LEU  115  16.01 +/- 0.67   0.007% *  2.1595% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  19.81 +/- 1.03   0.002% *  1.1591% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  20.98 +/- 1.23   0.001% *  0.6126% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 2 structures by 0.02 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.86, residual support = 26.4:
          QD    PHE   59 - QD1   LEU  115   2.67 +/- 0.59  99.995% * 98.5173% (0.95   3.86  26.35) = 100.000%  kept
          HH2   TRP   49 - QD1   LEU  115  16.06 +/- 1.55   0.003% *  0.4510% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  18.69 +/- 0.97   0.001% *  0.5210% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  19.90 +/- 0.60   0.001% *  0.5107% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.836, support = 0.02, residual support = 6.8:
          QD    PHE   95 - QD2   LEU  115   4.94 +/- 0.28  99.720% * 75.7271% (0.84   0.02   6.81) =  99.910%  kept
          HN    ALA   47 - QD2   LEU  115  13.24 +/- 0.35   0.280% * 24.2729% (0.27   0.02   0.02) =   0.090%
    Distance limit 3.85 A violated in 20 structures by 1.09 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.89, support = 2.91, residual support = 26.3:
          QE    PHE   59 - QD2   LEU  115   2.82 +/- 0.25  94.142% * 98.3622% (0.89   2.91  26.35) =  99.957%  kept
          HN    PHE   59 - QD2   LEU  115   4.60 +/- 0.43   5.417% *  0.7065% (0.93   0.02  26.35) =   0.041%
          HN    HIS  122 - QD2   LEU  115   7.16 +/- 0.32   0.373% *  0.3282% (0.43   0.02   0.02) =   0.001%
          HN    LYS+  66 - QD2   LEU  115   9.58 +/- 0.43   0.068% *  0.3282% (0.43   0.02   0.02) =   0.000%
          HH2   TRP   87 - QD2   LEU  115  23.32 +/- 1.15   0.000% *  0.2748% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 1 structures by 0.02 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 14.9:
        T QD1   ILE  119 - HA    GLN  116   2.79 +/- 0.47  99.906% * 97.9067% (0.61   4.00  14.85) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  10.54 +/- 0.28   0.049% *  0.2753% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  13.66 +/- 0.39   0.010% *  0.3029% (0.38   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  12.59 +/- 0.30   0.017% *  0.1597% (0.20   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.73 +/- 0.34   0.010% *  0.2013% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  15.24 +/- 0.41   0.005% *  0.2491% (0.31   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  21.04 +/- 0.33   0.001% *  0.7635% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  19.35 +/- 0.69   0.001% *  0.1414% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 100.8:
          QD2   LEU  115 - HA    GLN  116   1.99 +/- 0.06  99.858% * 98.5636% (0.92   6.31 100.83) = 100.000%  kept
          QD1   LEU   63 - HA    GLN  116   6.73 +/- 0.37   0.071% *  0.3319% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLN  116   6.88 +/- 0.68   0.071% *  0.1518% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLN  116  14.20 +/- 0.45   0.001% *  0.2326% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  19.19 +/- 0.28   0.000% *  0.3319% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  24.12 +/- 1.14   0.000% *  0.3037% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  25.65 +/- 1.14   0.000% *  0.0844% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.91, residual support = 14.9:
          HN    ILE  119 - HA    GLN  116   3.51 +/- 0.09  99.997% * 97.5515% (0.57   2.91  14.85) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  22.81 +/- 0.45   0.001% *  1.1414% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  27.75 +/- 0.40   0.000% *  0.6696% (0.57   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  26.93 +/- 0.75   0.000% *  0.4034% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  27.35 +/- 0.43   0.000% *  0.2341% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 6.99, residual support = 118.4:
      O   HN    GLN  116 - HA    GLN  116   2.73 +/- 0.01  93.658% * 99.2328% (0.98   6.99 118.40) =  99.984%  kept
          HN    THR  118 - HA    GLN  116   4.33 +/- 0.07   5.904% *  0.2318% (0.80   0.02   0.02) =   0.015%
          HN    GLU- 114 - HA    GLN  116   6.81 +/- 0.13   0.390% *  0.2418% (0.84   0.02   0.21) =   0.001%
          HN    PHE   60 - HA    GLN  116   9.74 +/- 0.36   0.046% *  0.1639% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  19.61 +/- 0.32   0.001% *  0.1298% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.487, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HB2   GLN  116   2.94 +/- 0.27  99.862% * 76.9360% (0.49   0.75   1.50) =  99.993%  kept
          HA    ILE   56 - HB2   GLN  116   9.47 +/- 0.40   0.107% *  4.0677% (0.97   0.02   0.02) =   0.006%
          HA    LEU  123 - HB2   GLN  116  13.43 +/- 0.18   0.013% *  4.2056% (1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HB2   GLN  116  13.03 +/- 0.41   0.016% *  1.7328% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   GLN  116  22.53 +/- 0.47   0.001% *  3.5206% (0.84   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  21.18 +/- 0.56   0.001% *  2.3863% (0.57   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  27.70 +/- 0.63   0.000% *  3.9872% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  26.39 +/- 0.57   0.000% *  1.5819% (0.38   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  31.79 +/- 1.45   0.000% *  1.5819% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.03, residual support = 100.8:
          QD2   LEU  115 - HB2   GLN  116   3.70 +/- 0.22  98.838% * 97.5368% (0.45   7.03 100.83) =  99.994%  kept
          QD1   LEU   63 - HB2   GLN  116   8.67 +/- 0.40   0.625% *  0.4957% (0.80   0.02   0.02) =   0.003%
          QD2   LEU   63 - HB2   GLN  116   9.12 +/- 0.69   0.496% *  0.5715% (0.92   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB2   GLN  116  15.71 +/- 0.43   0.019% *  0.1378% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  20.61 +/- 0.30   0.004% *  0.4957% (0.80   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.26 +/- 0.42   0.007% *  0.2323% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  18.07 +/- 1.05   0.009% *  0.1378% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  24.76 +/- 1.12   0.001% *  0.2545% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  25.31 +/- 2.08   0.001% *  0.1378% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 100.8:
          QD2   LEU  115 - HG2   GLN  116   2.59 +/- 0.22  99.759% * 98.7966% (1.00   7.00 100.83) = 100.000%  kept
          QD1   LEU   63 - HG2   GLN  116   7.94 +/- 0.39   0.128% *  0.2358% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG2   GLN  116   8.20 +/- 0.71   0.110% *  0.0704% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG2   GLN  116  15.89 +/- 0.47   0.002% *  0.2532% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  20.24 +/- 0.26   0.000% *  0.2358% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  24.70 +/- 1.16   0.000% *  0.2817% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  26.26 +/- 1.02   0.000% *  0.1266% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.21, residual support = 118.4:
      O   HE21  GLN  116 - HG2   GLN  116   2.61 +/- 0.22  99.331% * 98.4379% (0.65   4.21 118.40) =  99.999%  kept
          HN    ALA  120 - HG2   GLN  116   6.21 +/- 0.24   0.649% *  0.2011% (0.28   0.02   0.29) =   0.001%
          HN    ALA   57 - HG2   GLN  116  11.03 +/- 0.36   0.020% *  0.5253% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  25.84 +/- 1.70   0.000% *  0.7090% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  29.43 +/- 1.19   0.000% *  0.1267% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 7.02, residual support = 118.4:
          HN    GLN  116 - HG2   GLN  116   3.35 +/- 0.13  96.414% * 99.0561% (0.80   7.02 118.40) =  99.989%  kept
          HN    THR  118 - HG2   GLN  116   6.22 +/- 0.09   2.429% *  0.3456% (0.98   0.02   0.02) =   0.009%
          HN    GLU- 114 - HG2   GLN  116   7.18 +/- 0.29   1.027% *  0.1203% (0.34   0.02   0.21) =   0.001%
          HN    PHE   60 - HG2   GLN  116  10.21 +/- 0.36   0.130% *  0.3456% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  15 - HG2   GLN  116  26.19 +/- 0.81   0.000% *  0.1323% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.707, support = 0.0198, residual support = 0.0198:
          QE    PHE   95 - HB2   GLN  116   7.22 +/- 0.45  75.831% * 15.3326% (0.76   0.02   0.02) =  87.110%  kept
          QD    PHE   55 - HB2   GLN  116   8.86 +/- 0.53  23.551% *  6.8436% (0.34   0.02   0.02) =  12.075%  kept
          HN    LEU   67 - HB2   GLN  116  17.12 +/- 0.40   0.451% * 20.0629% (1.00   0.02   0.02) =   0.678%
          HD1   TRP   49 - HB2   GLN  116  24.94 +/- 1.67   0.049% * 16.7579% (0.84   0.02   0.02) =   0.061%
          HE3   TRP   27 - HB2   GLN  116  23.57 +/- 0.44   0.064% *  5.5782% (0.28   0.02   0.02) =   0.027%
          HN    THR   23 - HB2   GLN  116  28.75 +/- 0.66   0.020% * 16.0651% (0.80   0.02   0.02) =   0.024%
          HD2   HIS   22 - HB2   GLN  116  29.48 +/- 0.70   0.017% * 13.7814% (0.69   0.02   0.02) =   0.018%
          HD21  ASN   35 - HB2   GLN  116  29.29 +/- 1.18   0.018% *  5.5782% (0.28   0.02   0.02) =   0.007%
    Distance limit 4.23 A violated in 20 structures by 2.66 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 118.4:
      O   HN    GLN  116 - HB2   GLN  116   2.07 +/- 0.02  99.077% * 99.2958% (0.98   7.63 118.40) =  99.998%  kept
          HN    GLU- 114 - HB2   GLN  116   5.00 +/- 0.19   0.511% *  0.2219% (0.84   0.02   0.21) =   0.001%
          HN    THR  118 - HB2   GLN  116   5.16 +/- 0.09   0.409% *  0.2127% (0.80   0.02   0.02) =   0.001%
          HN    PHE   60 - HB2   GLN  116  11.67 +/- 0.33   0.003% *  0.1504% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  21.97 +/- 0.39   0.000% *  0.1191% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 4.05, residual support = 19.8:
          HN    SER  117 - HB2   GLN  116   3.18 +/- 0.10  99.999% * 99.4693% (0.98   4.05  19.84) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  24.13 +/- 0.61   0.001% *  0.4190% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  31.55 +/- 0.88   0.000% *  0.1117% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.05, residual support = 19.8:
      O   HN    SER  117 - HA    GLN  116   3.57 +/- 0.02  99.998% * 99.4693% (0.98   4.05  19.84) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  21.44 +/- 0.59   0.002% *  0.4190% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  31.22 +/- 0.85   0.000% *  0.1117% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.923, support = 2.07, residual support = 5.88:
        T QB    ALA  120 - HA    SER  117   3.19 +/- 0.06  96.423% * 95.6354% (0.92   2.07   5.88) =  99.987%  kept
          HG    LEU  115 - HA    SER  117   7.50 +/- 0.58   0.647% *  0.9236% (0.92   0.02   1.92) =   0.006%
          HD2   LYS+ 121 - HA    SER  117   6.84 +/- 1.49   2.501% *  0.1752% (0.18   0.02   0.02) =   0.005%
          HB3   LEU  115 - HA    SER  117   7.97 +/- 0.12   0.403% *  0.3755% (0.38   0.02   1.92) =   0.002%
          HG    LEU   67 - HA    SER  117  14.16 +/- 0.61   0.013% *  0.4870% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  17.39 +/- 0.63   0.004% *  1.0005% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  16.08 +/- 0.64   0.006% *  0.3755% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  18.38 +/- 0.65   0.003% *  0.2227% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.56 +/- 0.45   0.001% *  0.5264% (0.53   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  25.61 +/- 0.45   0.000% *  0.2782% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.473, support = 1.59, residual support = 13.3:
          HE21  GLN  116 - HA    SER  117   4.95 +/- 0.75  18.834% * 81.0066% (0.65   2.10  19.84) =  52.887%  kept
          HN    ALA  120 - HA    SER  117   3.74 +/- 0.10  81.150% * 16.7482% (0.28   1.01   5.88) =  47.112%  kept
          HN    ALA   57 - HA    SER  117  15.72 +/- 0.29   0.015% *  0.8665% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   90 - HA    SER  117  28.76 +/- 1.58   0.000% *  1.1697% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  27.37 +/- 1.19   0.001% *  0.2090% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 3.21, residual support = 15.0:
      O   HN    SER  117 - HA    SER  117   2.85 +/- 0.02  99.999% * 99.4112% (0.57   3.21  15.02) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  23.11 +/- 0.73   0.000% *  0.3726% (0.34   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.92 +/- 0.40   0.000% *  0.2162% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.127, support = 0.0183, residual support = 0.0183:
          HN    LYS+  81 - QB    SER   85   5.73 +/- 0.31  66.566% *  3.4992% (0.12   0.02   0.02) =  56.086%  kept
          QE    PHE   95 - QB    SER  117   7.16 +/- 0.43  18.327% *  4.5788% (0.15   0.02   0.02) =  20.206%  kept
          HN    LYS+  81 - QB    SER   48   8.54 +/- 1.37  10.649% *  5.8981% (0.20   0.02   0.02) =  15.123%  kept
          QD    PHE   55 - QB    SER  117  11.49 +/- 0.45   1.025% * 14.4446% (0.49   0.02   0.02) =   3.563%
          QD    PHE   60 - QB    SER  117  11.35 +/- 0.32   1.096% * 12.2000% (0.41   0.02   0.02) =   3.219%
          HE3   TRP   27 - QB    SER   48  12.88 +/- 0.67   0.532% *  4.3694% (0.15   0.02   0.02) =   0.560%
          QD    PHE   60 - QB    SER   48  12.22 +/- 0.53   0.731% *  3.1728% (0.11   0.02   0.02) =   0.559%
          QD    PHE   55 - QB    SER   48  14.07 +/- 0.58   0.320% *  3.7566% (0.13   0.02   0.02) =   0.289%
          QE    PHE   95 - QB    SER   48  13.04 +/- 0.49   0.492% *  1.1908% (0.04   0.02   0.02) =   0.141%
          HE3   TRP   27 - QB    SER  117  20.63 +/- 0.51   0.030% * 16.8009% (0.57   0.02   0.02) =   0.122%
          HE3   TRP   27 - QB    SER   85  17.28 +/- 0.42   0.087% *  2.5923% (0.09   0.02   0.02) =   0.054%
          HN    LYS+  81 - QB    SER  117  27.60 +/- 1.07   0.005% * 22.6789% (0.76   0.02   0.02) =   0.030%
          QD    PHE   60 - QB    SER   85  19.14 +/- 0.43   0.048% *  1.8824% (0.06   0.02   0.02) =   0.022%
          QD    PHE   55 - QB    SER   85  21.04 +/- 0.77   0.028% *  2.2287% (0.08   0.02   0.02) =   0.015%
          QE    PHE   95 - QB    SER   85  18.25 +/- 0.70   0.065% *  0.7065% (0.02   0.02   0.02) =   0.011%
    Distance limit 4.36 A violated in 20 structures by 1.02 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.64, residual support = 36.1:
      O T QG2   THR  118 - HB    THR  118   2.15 +/- 0.01 100.000% *100.0000% (0.98   3.64  36.10) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 0.75, residual support = 2.61:
          QG1   VAL  107 - HB    THR  118   3.05 +/- 0.23  96.771% * 93.8577% (0.98   0.75   2.61) =  99.978%  kept
          HG13  ILE  119 - HB    THR  118   5.55 +/- 0.23   3.114% *  0.5685% (0.22   0.02  34.17) =   0.019%
          HD3   LYS+ 112 - HB    THR  118   9.86 +/- 0.95   0.110% *  2.1328% (0.84   0.02   0.02) =   0.003%
          QG1   VAL   24 - HB    THR  118  19.32 +/- 1.37   0.002% *  2.3571% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  19.33 +/- 0.58   0.002% *  0.4472% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  21.23 +/- 0.62   0.001% *  0.6367% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3282 (7.24, 3.88, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 1.91, residual support = 5.91:
          QE    PHE   59 - HB    THR  118   2.61 +/- 0.24  99.609% * 94.2081% (0.45   1.91   5.91) =  99.992%  kept
          HN    HIS  122 - HB    THR  118   6.82 +/- 0.17   0.341% *  2.0362% (0.92   0.02   2.77) =   0.007%
          HN    PHE   59 - HB    THR  118   9.37 +/- 0.32   0.050% *  1.8424% (0.84   0.02   5.91) =   0.001%
          HH2   TRP   87 - HB    THR  118  25.68 +/- 1.34   0.000% *  1.9133% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3283 (8.18, 3.88, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.81, residual support = 36.1:
      O   HN    THR  118 - HB    THR  118   2.22 +/- 0.07  99.022% * 98.6796% (0.98   3.81  36.10) =  99.996%  kept
          HN    GLN  116 - HB    THR  118   4.98 +/- 0.09   0.787% *  0.4234% (0.80   0.02   0.02) =   0.003%
          HN    GLU- 114 - HB    THR  118   6.47 +/- 0.30   0.167% *  0.1804% (0.34   0.02   0.34) =   0.000%
          HN    PHE   60 - HB    THR  118   9.10 +/- 0.45   0.023% *  0.5183% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  23.30 +/- 0.87   0.000% *  0.1984% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 26.01 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.52, residual support = 36.1:
      O T QG2   THR  118 - HA    THR  118   2.56 +/- 0.05 100.000% *100.0000% (0.14   3.52  36.10) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3285 (0.95, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.837, support = 0.0193, residual support = 33.0:
        T QG2   ILE  119 - HA    THR  118   5.92 +/- 0.07  89.832% * 32.7034% (0.87   0.02  34.17) =  96.662%  kept
          QG2   ILE  103 - HA    THR  118   8.85 +/- 0.35   8.235% *  5.9347% (0.16   0.02   0.02) =   1.608%
          QD1   ILE  103 - HA    THR  118  11.86 +/- 0.91   1.668% * 28.3049% (0.75   0.02   0.02) =   1.554%
          QD2   LEU   71 - HA    THR  118  16.51 +/- 0.51   0.193% * 24.6071% (0.65   0.02   0.02) =   0.156%
          HG3   LYS+  74 - HA    THR  118  19.48 +/- 0.69   0.072% *  8.4498% (0.22   0.02   0.02) =   0.020%
    Distance limit 3.58 A violated in 20 structures by 2.34 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.854, support = 0.0194, residual support = 2.54:
          QG1   VAL  107 - HA    THR  118   4.68 +/- 0.22  89.181% * 28.9511% (0.88   0.02   2.61) =  97.095%  kept
        T HG13  ILE  119 - HA    THR  118   6.72 +/- 0.09  10.461% *  6.5757% (0.20   0.02  34.17) =   2.587%
          HD3   LYS+ 112 - HA    THR  118  12.25 +/- 1.04   0.324% * 24.6705% (0.75   0.02   0.02) =   0.300%
          QG1   VAL   24 - HA    THR  118  20.81 +/- 1.38   0.012% * 27.2651% (0.83   0.02   0.02) =   0.013%
          HB3   LEU   31 - HA    THR  118  21.74 +/- 0.69   0.009% *  7.3649% (0.22   0.02   0.02) =   0.003%
          QG2   VAL   24 - HA    THR  118  20.59 +/- 0.68   0.013% *  5.1727% (0.16   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 20 structures by 0.79 A, eliminated.
    Peak unassigned.
 
    Peak 3287 (1.50, 3.69, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.72, support = 2.2, residual support = 8.88:
          HD2   LYS+ 121 - HA    THR  118   3.63 +/- 1.23  47.519% * 74.0010% (0.89   2.08   8.88) =  74.593%  kept
        T HB3   LYS+ 121 - HA    THR  118   3.01 +/- 0.71  52.379% * 22.8662% (0.22   2.55   8.88) =  25.406%  kept
          QD    LYS+  66 - HA    THR  118  11.56 +/- 0.76   0.016% *  0.5225% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118   9.44 +/- 0.23   0.056% *  0.1260% (0.16   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  11.47 +/- 0.47   0.017% *  0.1794% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.46 +/- 0.58   0.002% *  0.7195% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  13.05 +/- 0.69   0.008% *  0.1602% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  18.28 +/- 0.47   0.001% *  0.6010% (0.75   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  22.26 +/- 0.48   0.000% *  0.7131% (0.89   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  18.24 +/- 0.56   0.001% *  0.1110% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3288 (2.05, 3.69, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.673, support = 0.0196, residual support = 33.6:
        T HB    ILE  119 - HA    THR  118   5.54 +/- 0.03  98.040% * 11.7350% (0.69   0.02  34.17) =  98.244%  kept
          HB    VAL  108 - HA    THR  118  12.06 +/- 0.38   0.944% * 14.5256% (0.85   0.02   0.02) =   1.171%
          HB2   PRO   93 - HA    THR  118  15.23 +/- 0.42   0.231% * 14.5256% (0.85   0.02   0.02) =   0.287%
          HG2   PRO   58 - HA    THR  118  13.50 +/- 0.27   0.476% *  2.6892% (0.16   0.02   0.02) =   0.109%
          HB2   ARG+  54 - HA    THR  118  19.55 +/- 0.34   0.051% * 15.0514% (0.88   0.02   0.02) =   0.066%
          HB3   GLU- 100 - HA    THR  118  19.16 +/- 0.76   0.060% * 10.5478% (0.62   0.02   0.02) =   0.054%
          HB2   GLN   30 - HA    THR  118  22.06 +/- 0.52   0.025% * 11.7350% (0.69   0.02   0.02) =   0.025%
          HG3   PRO   52 - HA    THR  118  18.55 +/- 0.55   0.071% *  2.6892% (0.16   0.02   0.02) =   0.016%
          HB3   PRO   68 - HA    THR  118  18.41 +/- 0.57   0.074% *  2.3693% (0.14   0.02   0.02) =   0.015%
          HG3   GLN   30 - HA    THR  118  23.90 +/- 0.67   0.016% *  6.8843% (0.40   0.02   0.02) =   0.009%
          HB2   GLU-  14 - HA    THR  118  26.35 +/- 1.76   0.010% *  3.4187% (0.20   0.02   0.02) =   0.003%
          HG2   MET   11 - HA    THR  118  33.43 +/- 2.06   0.002% *  3.8289% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 20 structures by 1.25 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 26.01 ppm):
    8 chemical-shift based assignments, quality = 0.395, support = 0.0196, residual support = 33.6:
        T HG12  ILE  119 - HA    THR  118   5.86 +/- 0.21  99.089% *  7.5582% (0.40   0.02  34.17) =  98.175%  kept
          HB2   ASP-  44 - HA    THR  118  14.59 +/- 0.62   0.442% * 15.9474% (0.85   0.02   0.02) =   0.924%
          HB3   PHE   72 - HA    THR  118  15.36 +/- 0.62   0.326% * 14.6235% (0.78   0.02   0.02) =   0.625%
          QG    GLU-  15 - HA    THR  118  19.69 +/- 1.20   0.076% * 16.7092% (0.89   0.02   0.02) =   0.166%
          QG    GLN   90 - HA    THR  118  23.18 +/- 1.02   0.027% * 13.4992% (0.72   0.02   0.02) =   0.048%
          QG    GLU-  14 - HA    THR  118  24.05 +/- 0.96   0.022% * 15.5623% (0.83   0.02   0.02) =   0.046%
          QB    MET   11 - HA    THR  118  29.89 +/- 1.95   0.006% * 13.4992% (0.72   0.02   0.02) =   0.011%
          HB2   GLU-  29 - HA    THR  118  26.71 +/- 0.53   0.011% *  2.6012% (0.14   0.02   0.02) =   0.004%
    Distance limit 4.31 A violated in 20 structures by 1.55 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.13, residual support = 36.1:
      O T HB    THR  118 - HA    THR  118   3.05 +/- 0.01  99.933% * 98.7980% (0.72   3.13  36.10) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  10.42 +/- 0.27   0.064% *  0.1381% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  18.73 +/- 0.55   0.002% *  0.2192% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  21.65 +/- 0.85   0.001% *  0.3241% (0.37   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  24.33 +/- 0.53   0.000% *  0.3241% (0.37   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  24.67 +/- 1.06   0.000% *  0.1966% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3291 (7.19, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.846, support = 0.02, residual support = 5.9:
          QD    PHE   59 - HA    THR  118   7.07 +/- 0.12  99.769% * 25.6201% (0.85   0.02   5.91) =  99.773%  kept
          HE21  GLN   30 - HA    THR  118  22.13 +/- 1.00   0.111% * 26.1376% (0.87   0.02   0.02) =   0.113%
          HD1   TRP   27 - HA    THR  118  23.54 +/- 0.61   0.074% * 25.6201% (0.85   0.02   0.02) =   0.074%
          HH2   TRP   49 - HA    THR  118  25.77 +/- 1.31   0.045% * 22.6222% (0.75   0.02   0.02) =   0.040%
    Distance limit 3.90 A violated in 20 structures by 3.17 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 26.01 ppm):
    3 chemical-shift based assignments, quality = 0.472, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.82 +/- 0.20  99.900% * 43.4534% (0.47   0.02   0.02) =  99.943%  kept
          HZ2   TRP   49 - HA    THR  118  25.77 +/- 0.69   0.035% * 40.2018% (0.44   0.02   0.02) =   0.033%
          HE21  GLN   17 - HA    THR  118  23.31 +/- 0.85   0.065% * 16.3448% (0.18   0.02   0.02) =   0.024%
    Distance limit 4.33 A violated in 20 structures by 2.49 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.87, residual support = 34.2:
      O   HN    ILE  119 - HA    THR  118   3.56 +/- 0.03  99.995% * 98.7686% (0.51   5.87  34.17) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.73 +/- 0.49   0.002% *  0.5740% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  23.77 +/- 0.60   0.001% *  0.3368% (0.51   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.62 +/- 0.63   0.002% *  0.1177% (0.18   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  26.54 +/- 0.73   0.001% *  0.2029% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3294 (8.20, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.69, residual support = 36.1:
      O   HN    THR  118 - HA    THR  118   2.87 +/- 0.01  99.427% * 98.1404% (0.51   3.69  36.10) =  99.998%  kept
          HN    GLN  116 - HA    THR  118   6.84 +/- 0.08   0.548% *  0.2903% (0.28   0.02   0.02) =   0.002%
          HN    PHE   60 - HA    THR  118  11.44 +/- 0.26   0.025% *  0.7533% (0.72   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  23.77 +/- 0.95   0.000% *  0.8160% (0.78   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 26.66 ppm):
    7 chemical-shift based assignments, quality = 0.401, support = 3.45, residual support = 35.8:
      O T HA    THR  118 - HB    THR  118   3.05 +/- 0.01  91.522% * 30.5913% (0.38   3.13  36.10) =  82.998%  kept
          HA    ILE  119 - HB    THR  118   4.55 +/- 0.10   8.397% * 68.2985% (0.53   4.99  34.17) =  17.001%  kept
          HD3   PRO   58 - HB    THR  118  10.98 +/- 0.38   0.043% *  0.2535% (0.49   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB    THR  118  11.33 +/- 0.38   0.036% *  0.0804% (0.15   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  19.12 +/- 0.44   0.002% *  0.3980% (0.76   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  23.93 +/- 0.47   0.000% *  0.2335% (0.45   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  23.87 +/- 0.87   0.000% *  0.1448% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3296 (1.11, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.514, support = 2.19, residual support = 4.38:
          QG1   VAL  107 - QG2   THR  118   2.43 +/- 0.35  98.173% * 23.2416% (0.51   2.00   2.61) =  94.403%  kept
          HG13  ILE  119 - QG2   THR  118   4.89 +/- 0.19   1.789% * 75.6046% (0.62   5.36  34.17) =   5.597%  kept
          HD3   LYS+ 112 - QG2   THR  118   9.94 +/- 0.75   0.031% *  0.3962% (0.87   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   THR  118  15.21 +/- 1.15   0.002% *  0.3682% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  15.92 +/- 0.51   0.002% *  0.2981% (0.65   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  14.07 +/- 0.35   0.004% *  0.0914% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3297 (1.88, 0.24, 62.25 ppm):
    13 chemical-shift based assignments, quality = 0.249, support = 1.5, residual support = 5.41:
        T HB3   ASP- 105 - QG2   THR  118   3.29 +/- 0.24  97.318% * 74.7365% (0.25   1.50   5.41) =  99.921%  kept
          QB    LYS+ 106 - QG2   THR  118   6.37 +/- 0.15   2.005% *  2.0291% (0.51   0.02   2.23) =   0.056%
          HB    ILE   56 - QG2   THR  118   8.66 +/- 0.22   0.318% *  3.3903% (0.85   0.02   0.02) =   0.015%
          HB3   PRO   58 - QG2   THR  118  10.28 +/- 0.19   0.115% *  2.4619% (0.62   0.02   0.02) =   0.004%
          HB    ILE  103 - QG2   THR  118   9.62 +/- 0.26   0.160% *  0.7979% (0.20   0.02   0.02) =   0.002%
          HB2   MET   92 - QG2   THR  118  13.30 +/- 0.55   0.025% *  3.1089% (0.78   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QG2   THR  118  15.39 +/- 0.62   0.010% *  3.5760% (0.89   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  15.78 +/- 0.39   0.008% *  3.4588% (0.87   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   THR  118  13.82 +/- 0.39   0.019% *  0.7093% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  15.70 +/- 0.53   0.009% *  1.3451% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  15.42 +/- 0.42   0.010% *  0.8937% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  19.10 +/- 0.48   0.003% *  1.6068% (0.40   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  20.70 +/- 0.98   0.002% *  1.8856% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3298 (2.25, 0.24, 62.25 ppm):
    11 chemical-shift based assignments, quality = 0.613, support = 2.79, residual support = 15.6:
        T HB2   ASP- 105 - QG2   THR  118   2.82 +/- 0.20  90.739% * 15.2876% (0.51   1.50   5.41) =  64.646%  kept
          HG12  ILE  119 - QG2   THR  118   4.24 +/- 0.21   9.135% * 83.0419% (0.80   5.14  34.17) =  35.353%  kept
          HB2   ASP-  44 - QG2   THR  118   9.58 +/- 0.52   0.065% *  0.1351% (0.34   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   THR  118  10.49 +/- 0.53   0.037% *  0.1752% (0.44   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  14.15 +/- 1.05   0.007% *  0.3324% (0.83   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  14.33 +/- 0.59   0.006% *  0.1001% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.87 +/- 0.96   0.005% *  0.1001% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  17.55 +/- 0.85   0.002% *  0.2038% (0.51   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  19.84 +/- 0.41   0.001% *  0.3529% (0.88   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  17.22 +/- 0.53   0.002% *  0.1228% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  18.40 +/- 0.84   0.001% *  0.1480% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3299 (3.70, 0.24, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.365, support = 3.82, residual support = 35.7:
      O T HA    THR  118 - QG2   THR  118   2.56 +/- 0.05  87.801% * 33.4745% (0.34   3.52  36.10) =  78.713%  kept
        T HA    ILE  119 - QG2   THR  118   3.59 +/- 0.14  12.145% * 65.4461% (0.47   4.91  34.17) =  21.287%  kept
          HD3   PRO   58 - QG2   THR  118   9.87 +/- 0.19   0.027% *  0.2465% (0.44   0.02   0.02) =   0.000%
          HA2   GLY  109 - QG2   THR  118  10.17 +/- 0.36   0.023% *  0.0781% (0.14   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  15.05 +/- 0.40   0.002% *  0.3870% (0.69   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  20.33 +/- 0.40   0.000% *  0.2270% (0.40   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  19.63 +/- 0.67   0.000% *  0.1408% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.64, residual support = 36.1:
      O T HB    THR  118 - QG2   THR  118   2.15 +/- 0.01  99.870% * 98.9643% (0.72   3.64  36.10) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   6.55 +/- 0.22   0.128% *  0.1190% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.04 +/- 0.47   0.001% *  0.1889% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  16.43 +/- 0.66   0.001% *  0.2792% (0.37   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  18.24 +/- 0.36   0.000% *  0.2792% (0.37   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.12 +/- 0.90   0.000% *  0.1694% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.98, residual support = 2.77:
          HD2   HIS  122 - QG2   THR  118   3.03 +/- 0.06  99.739% * 96.4879% (0.90   0.98   2.77) =  99.996%  kept
          HE22  GLN  116 - QG2   THR  118   9.09 +/- 0.54   0.148% *  1.9641% (0.89   0.02   0.02) =   0.003%
          QD    PHE   45 - QG2   THR  118   9.44 +/- 0.28   0.111% *  0.7388% (0.34   0.02   0.02) =   0.001%
          HE22  GLN   17 - QG2   THR  118  18.65 +/- 0.60   0.002% *  0.8093% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3302 (7.19, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.847, support = 0.02, residual support = 5.91:
          QD    PHE   59 - QG2   THR  118   4.58 +/- 0.16  99.886% * 25.6201% (0.85   0.02   5.91) =  99.887%  kept
          HE21  GLN   30 - QG2   THR  118  16.00 +/- 0.81   0.058% * 26.1376% (0.87   0.02   0.02) =   0.060%
          HD1   TRP   27 - QG2   THR  118  17.14 +/- 0.46   0.037% * 25.6201% (0.85   0.02   0.02) =   0.037%
          HH2   TRP   49 - QG2   THR  118  19.48 +/- 1.07   0.018% * 22.6222% (0.75   0.02   0.02) =   0.016%
    Distance limit 3.87 A violated in 20 structures by 0.71 A, eliminated.
    Peak unassigned.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.91, residual support = 34.2:
        T QG2   THR  118 - HA    ILE  119   3.59 +/- 0.14 100.000% *100.0000% (0.57   4.91  34.17) = 100.000%  kept
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.448, support = 0.019, residual support = 35.4:
          QB    ALA  120 - HA    ILE  119   5.02 +/- 0.01  71.122% *  9.2332% (0.45   0.02  48.07) =  70.334%  kept
          HD2   LYS+ 121 - HA    ILE  119   7.09 +/- 0.60   9.915% * 12.4912% (0.61   0.02   0.86) =  13.265%  kept
          HG    LEU  115 - HA    ILE  119   6.96 +/- 0.56  11.727% *  9.2332% (0.45   0.02  12.36) =  11.597%  kept
          QD    LYS+  66 - HA    ILE  119   7.81 +/- 0.82   6.434% *  5.1353% (0.25   0.02   0.02) =   3.539%
          HG2   LYS+  65 - HA    ILE  119  12.08 +/- 0.67   0.390% * 14.1465% (0.69   0.02   0.02) =   0.590%
          HB3   LEU   40 - HA    ILE  119  12.43 +/- 0.56   0.325% * 14.1465% (0.69   0.02   0.02) =   0.492%
          HB2   LYS+  74 - HA    ILE  119  15.87 +/- 0.63   0.075% * 19.8751% (0.97   0.02   0.02) =   0.159%
          QG2   THR   26 - HA    ILE  119  20.88 +/- 0.56   0.014% * 15.7389% (0.76   0.02   0.02) =   0.024%
    Distance limit 4.35 A violated in 19 structures by 0.46 A, eliminated.
    Peak unassigned.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.02, residual support = 19.9:
          QD    PHE   59 - HA    ILE  119   4.44 +/- 0.17  99.980% * 25.6201% (0.95   0.02  19.88) =  99.981%  kept
          HE21  GLN   30 - HA    ILE  119  20.72 +/- 1.11   0.011% * 26.1376% (0.97   0.02   0.02) =   0.011%
          HD1   TRP   27 - HA    ILE  119  23.18 +/- 0.57   0.005% * 25.6201% (0.95   0.02   0.02) =   0.005%
          HH2   TRP   49 - HA    ILE  119  25.17 +/- 1.36   0.003% * 22.6222% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.66 A violated in 20 structures by 0.78 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.29, residual support = 249.6:
      O   HN    ILE  119 - HA    ILE  119   2.78 +/- 0.02  99.998% * 99.3955% (0.98   8.29 249.59) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.71 +/- 0.62   0.001% *  0.2043% (0.84   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  22.25 +/- 0.45   0.000% *  0.1582% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  26.97 +/- 0.54   0.000% *  0.2043% (0.84   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  23.05 +/- 0.47   0.000% *  0.0377% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.286, support = 4.55, residual support = 39.6:
      O   HN    ALA  120 - HA    ILE  119   3.63 +/- 0.01  87.501% * 36.5819% (0.18   5.12  48.07) =  82.192%  kept
          HN    LEU  123 - HA    ILE  119   5.15 +/- 0.25  11.205% * 61.8034% (0.80   1.89   0.32) =  17.781%  kept
          HN    ALA  124 - HA    ILE  119   7.37 +/- 0.32   1.291% *  0.7992% (0.98   0.02   0.02) =   0.026%
          HE21  GLN   17 - HA    ILE  119  19.64 +/- 0.88   0.004% *  0.8154% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 2.46, residual support = 14.9:
          HA    GLN  116 - HB    ILE  119   2.69 +/- 0.13  99.994% * 96.4646% (0.84   2.46  14.85) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  16.78 +/- 0.40   0.002% *  0.7858% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  16.59 +/- 0.67   0.002% *  0.4284% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  17.49 +/- 0.69   0.001% *  0.2513% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  24.40 +/- 0.82   0.000% *  0.5268% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  26.59 +/- 0.46   0.000% *  0.5913% (0.63   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  22.26 +/- 0.87   0.000% *  0.1256% (0.13   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  28.78 +/- 0.54   0.000% *  0.4610% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  33.04 +/- 0.86   0.000% *  0.3651% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 5.09, residual support = 48.0:
          HN    ALA  120 - HB    ILE  119   2.76 +/- 0.14  81.703% * 98.5679% (0.53   5.09  48.07) =  99.963%  kept
          HE21  GLN  116 - HB    ILE  119   3.82 +/- 0.89  17.623% *  0.1592% (0.22   0.02  14.85) =   0.035%
          HN    LEU  123 - HB    ILE  119   6.48 +/- 0.36   0.496% *  0.1970% (0.27   0.02   0.32) =   0.001%
          HN    ALA  124 - HB    ILE  119   7.83 +/- 0.46   0.162% *  0.5111% (0.69   0.02   0.02) =   0.001%
          HN    ALA   57 - HB    ILE  119  11.66 +/- 0.44   0.016% *  0.1263% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  21.62 +/- 0.99   0.000% *  0.4385% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 7.5, residual support = 249.6:
      O   HN    ILE  119 - HB    ILE  119   2.10 +/- 0.07 100.000% * 99.3325% (0.85   7.50 249.59) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  21.57 +/- 0.69   0.000% *  0.2256% (0.72   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.15 +/- 0.45   0.000% *  0.1747% (0.56   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  27.37 +/- 0.66   0.000% *  0.2256% (0.72   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.79 +/- 0.49   0.000% *  0.0417% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.566, support = 3.84, residual support = 48.1:
          HA    ALA  120 - QG2   ILE  119   3.00 +/- 0.13  98.768% * 94.8996% (0.57   3.84  48.07) =  99.997%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.33 +/- 0.07   1.142% *  0.1726% (0.20   0.02   0.86) =   0.002%
          HA    LYS+  65 - QG2   ILE  119  10.33 +/- 0.44   0.062% *  0.8251% (0.95   0.02   0.02) =   0.001%
          HA2   GLY   16 - QG2   ILE  119  14.31 +/- 0.55   0.009% *  0.7823% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  16.24 +/- 0.38   0.004% *  0.6666% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  14.41 +/- 0.33   0.008% *  0.2175% (0.25   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  18.71 +/- 0.71   0.002% *  0.2975% (0.34   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  19.10 +/- 0.77   0.002% *  0.2692% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  17.48 +/- 0.40   0.003% *  0.1346% (0.15   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  22.30 +/- 0.36   0.001% *  0.4938% (0.57   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  25.14 +/- 0.60   0.000% *  0.7823% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  26.01 +/- 0.40   0.000% *  0.4589% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 5.76, residual support = 48.0:
          HN    ALA  120 - QG2   ILE  119   2.58 +/- 0.23  81.253% * 98.7314% (0.61   5.76  48.07) =  99.961%  kept
          HE21  GLN  116 - QG2   ILE  119   3.78 +/- 0.93  12.417% *  0.1410% (0.25   0.02  14.85) =   0.022%
          HN    LEU  123 - QG2   ILE  119   4.34 +/- 0.38   5.204% *  0.1745% (0.31   0.02   0.32) =   0.011%
          HN    ALA  124 - QG2   ILE  119   5.55 +/- 0.34   1.100% *  0.4528% (0.80   0.02   0.02) =   0.006%
          HN    ALA   57 - QG2   ILE  119  10.10 +/- 0.35   0.024% *  0.1119% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - QG2   ILE  119  17.01 +/- 0.86   0.001% *  0.3884% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 249.6:
          HN    ILE  119 - QG2   ILE  119   3.53 +/- 0.07  99.991% * 99.2710% (0.80   7.84 249.59) = 100.000%  kept
          HN    SER   37 - QG2   ILE  119  20.75 +/- 0.43   0.002% *  0.3157% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  18.11 +/- 0.59   0.006% *  0.1079% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - QG2   ILE  119  24.20 +/- 0.46   0.001% *  0.3053% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 2.25, residual support = 12.4:
          QD2   LEU  115 - HG12  ILE  119   1.98 +/- 0.22  92.590% * 96.2454% (0.90   2.25  12.36) =  99.955%  kept
          QD1   LEU   63 - HG12  ILE  119   3.41 +/- 0.68   7.407% *  0.5401% (0.57   0.02   0.02) =   0.045%
          QD1   LEU  104 - HG12  ILE  119  11.98 +/- 0.45   0.002% *  0.9539% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG12  ILE  119  16.09 +/- 0.46   0.000% *  0.5401% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  21.66 +/- 1.28   0.000% *  0.8806% (0.92   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  17.58 +/- 0.57   0.000% *  0.1472% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  23.58 +/- 0.93   0.000% *  0.6927% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.891, support = 2.24, residual support = 12.3:
          QD2   LEU  115 - HG13  ILE  119   3.25 +/- 0.19  47.528% * 96.2454% (0.90   2.25  12.36) =  99.384%  kept
          QD1   LEU   63 - HG13  ILE  119   3.22 +/- 0.64  52.448% *  0.5401% (0.57   0.02   0.02) =   0.615%
          QD1   LEU  104 - HG13  ILE  119  11.78 +/- 0.52   0.019% *  0.9539% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG13  ILE  119  15.89 +/- 0.49   0.003% *  0.5401% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  21.93 +/- 1.27   0.000% *  0.8806% (0.92   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  18.37 +/- 0.50   0.001% *  0.1472% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  24.12 +/- 0.88   0.000% *  0.6927% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 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  10.13 +/- 0.38 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 4.05 A violated in 20 structures by 6.07 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.9, residual support = 19.9:
          QD    PHE   59 - HG13  ILE  119   3.04 +/- 0.49  99.997% * 98.0354% (0.95   2.90  19.88) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  20.54 +/- 1.20   0.002% *  0.6904% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  23.16 +/- 0.64   0.001% *  0.6767% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  23.91 +/- 1.38   0.001% *  0.5975% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 249.6:
          HN    ILE  119 - HG13  ILE  119   3.86 +/- 0.10  99.989% * 99.1751% (0.80   6.92 249.59) = 100.000%  kept
          HN    CYS   21 - HG13  ILE  119  18.89 +/- 0.70   0.008% *  0.1221% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  23.12 +/- 0.54   0.002% *  0.3572% (1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HG13  ILE  119  26.30 +/- 0.52   0.001% *  0.3455% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.96, residual support = 19.9:
          QD    PHE   59 - HG12  ILE  119   2.49 +/- 0.51  99.999% * 98.6964% (0.84   2.96  19.88) = 100.000%  kept
          HE21  GLN   30 - HG12  ILE  119  20.97 +/- 1.16   0.000% *  0.3891% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG12  ILE  119  23.16 +/- 0.61   0.000% *  0.6677% (0.84   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  23.02 +/- 1.43   0.000% *  0.2467% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.42, residual support = 249.6:
          HN    ILE  119 - HG12  ILE  119   2.78 +/- 0.20  99.998% * 99.2303% (0.80   7.42 249.59) = 100.000%  kept
          HN    CYS   21 - HG12  ILE  119  19.21 +/- 0.68   0.001% *  0.1140% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  23.75 +/- 0.47   0.000% *  0.3334% (1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HG12  ILE  119  25.32 +/- 0.57   0.000% *  0.3224% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.96 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  10.07 +/- 0.34 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.45 A violated in 20 structures by 6.62 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.397, support = 4.79, residual support = 12.4:
          QD2   LEU  115 - QD1   ILE  119   1.68 +/- 0.04  99.210% * 97.0361% (0.40   4.79  12.36) =  99.999%  kept
        T QD1   LEU   63 - QD1   ILE  119   4.02 +/- 0.58   0.789% *  0.1520% (0.15   0.02   0.02) =   0.001%
        T QD1   LEU  104 - QD1   ILE  119  11.48 +/- 0.41   0.001% *  0.6769% (0.66   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  15.35 +/- 0.45   0.000% *  0.5579% (0.55   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD1   ILE  119  14.40 +/- 0.44   0.000% *  0.1520% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  20.61 +/- 0.69   0.000% *  0.9832% (0.96   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  18.83 +/- 1.12   0.000% *  0.4418% (0.43   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 4.0, residual support = 14.9:
        T HA    GLN  116 - QD1   ILE  119   2.79 +/- 0.47  99.956% * 97.3505% (0.51   4.00  14.85) = 100.000%  kept
          HA1   GLY   16 - QD1   ILE  119  13.74 +/- 0.73   0.012% *  0.7409% (0.77   0.02   0.02) =   0.000%
          HA    VAL   70 - QD1   ILE  119  14.02 +/- 0.41   0.010% *  0.4868% (0.51   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  12.59 +/- 0.68   0.021% *  0.1252% (0.13   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  20.53 +/- 0.67   0.001% *  0.9232% (0.96   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  22.05 +/- 0.47   0.001% *  0.2307% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  23.51 +/- 0.56   0.000% *  0.1428% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.851, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   8.58 +/- 0.48  57.442% * 81.6578% (0.96   0.02   0.02) =  85.732%  kept
        T QD    PHE   72 - QD1   ILE  119   9.03 +/- 0.54  42.558% * 18.3422% (0.21   0.02   0.02) =  14.268%  kept
    Distance limit 3.71 A violated in 20 structures by 4.11 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.497, support = 0.0198, residual support = 0.0198:
          QD    PHE   95 - QD1   ILE  119   6.28 +/- 0.28  75.388% * 23.3518% (0.47   0.02   0.02) =  70.764%  kept
          QE    PHE   72 - QD1   ILE  119   7.62 +/- 0.50  24.007% * 29.0981% (0.59   0.02   0.02) =  28.080%  kept
          HN    ALA   47 - QD1   ILE  119  14.05 +/- 0.51   0.605% * 47.5501% (0.96   0.02   0.02) =   1.156%
    Distance limit 3.78 A violated in 20 structures by 2.22 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.432, support = 0.02, residual support = 17.5:
          HN    PHE   59 - QD1   ILE  119   4.30 +/- 0.37  91.726% * 15.6192% (0.33   0.02  19.88) =  80.830%  kept
          HN    HIS  122 - QD1   ILE  119   6.53 +/- 0.28   8.271% * 41.0656% (0.87   0.02   7.66) =  19.164%  kept
          HH2   TRP   87 - QD1   ILE  119  24.91 +/- 0.90   0.003% * 43.3152% (0.91   0.02   0.02) =   0.007%
    Distance limit 3.93 A violated in 13 structures by 0.34 A, eliminated.
    Peak unassigned.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 249.6:
          HN    ILE  119 - QD1   ILE  119   3.76 +/- 0.13  99.976% * 99.2763% (0.95   6.92 249.59) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  16.65 +/- 0.67   0.014% *  0.2446% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  21.93 +/- 0.46   0.003% *  0.2446% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  21.21 +/- 0.47   0.003% *  0.1894% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  21.29 +/- 0.50   0.003% *  0.0452% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.52, residual support = 31.6:
        T QD1   LEU  123 - HA    ALA  120   2.73 +/- 0.51  99.864% * 97.1588% (0.45   5.52  31.57) =  99.999%  kept
          HB3   LEU   63 - HA    ALA  120   9.65 +/- 0.78   0.081% *  0.7699% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    ALA  120  11.12 +/- 0.55   0.029% *  0.5395% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  15.49 +/- 1.37   0.005% *  0.6289% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  12.52 +/- 0.31   0.016% *  0.1375% (0.18   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  16.65 +/- 0.30   0.003% *  0.4132% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  17.93 +/- 0.81   0.002% *  0.3521% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.804, support = 5.18, residual support = 22.5:
          HN    LEU  123 - HA    ALA  120   2.66 +/- 0.22  44.953% * 51.7386% (0.80   5.86  31.57) =  67.620%  kept
          HN    ALA  124 - HA    ALA  120   3.08 +/- 0.35  21.424% * 41.1154% (0.98   3.80   1.29) =  25.610%  kept
      O   HN    ALA  120 - HA    ALA  120   2.78 +/- 0.04  33.623% *  6.9253% (0.18   3.58  11.84) =   6.770%  kept
          HE21  GLN   17 - HA    ALA  120  22.38 +/- 1.26   0.000% *  0.2206% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 6.22, residual support = 314.6:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.74 +/- 0.03  99.996% * 99.2642% (0.45   6.22 314.58) = 100.000%  kept
          HN    LYS+ 121 - HA    LYS+  65  15.07 +/- 0.47   0.004% *  0.0200% (0.03   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+ 121  30.10 +/- 0.71   0.000% *  0.6735% (0.95   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  26.82 +/- 0.50   0.000% *  0.0423% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.867, support = 2.72, residual support = 8.87:
          HA    THR  118 - HB2   LYS+ 121   2.41 +/- 0.57  97.290% * 97.1255% (0.87   2.72   8.88) =  99.977%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.84 +/- 0.12   2.707% *  0.7934% (0.97   0.02   0.86) =   0.023%
          HA2   GLY  109 - HB2   LYS+ 121  16.03 +/- 0.52   0.002% *  0.4654% (0.57   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  21.83 +/- 0.52   0.000% *  0.2286% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  28.41 +/- 0.46   0.000% *  0.7589% (0.92   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  27.71 +/- 0.80   0.000% *  0.6282% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.731, support = 2.58, residual support = 8.26:
        T HA    THR  118 - HB3   LYS+ 121   3.01 +/- 0.71  93.798% * 43.6424% (0.72   2.55   8.88) =  92.270%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.13 +/- 0.16   6.195% * 55.3582% (0.81   2.91   0.86) =   7.730%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.40 +/- 0.44   0.006% *  0.2235% (0.47   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.69 +/- 0.52   0.001% *  0.1098% (0.23   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  27.77 +/- 0.77   0.000% *  0.3017% (0.64   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  28.63 +/- 0.46   0.000% *  0.3644% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.32, residual support = 314.6:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.81 +/- 0.49 100.000% * 99.8677% (0.75   6.32 314.58) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  27.64 +/- 0.71   0.000% *  0.1323% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.49, residual support = 48.3:
          HN    HIS  122 - HB3   LYS+ 121   3.40 +/- 0.41  99.963% * 99.5594% (0.75   6.49  48.27) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  13.02 +/- 0.25   0.037% *  0.1168% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  28.97 +/- 1.21   0.000% *  0.3238% (0.79   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.29, residual support = 48.3:
          HN    HIS  122 - HB2   LYS+ 121   3.44 +/- 0.40  99.295% * 99.2263% (0.41   7.29  48.27) =  99.998%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.10 +/- 0.22   0.704% *  0.2258% (0.34   0.02   0.02) =   0.002%
          HD1   TRP   27 - HB2   LYS+ 121  23.68 +/- 0.67   0.001% *  0.2258% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   LYS+ 121  28.90 +/- 1.26   0.000% *  0.3222% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.65, residual support = 314.6:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.31 +/- 0.45 100.000% * 99.7183% (0.92   6.65 314.58) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  27.44 +/- 0.70   0.000% *  0.2817% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.411, support = 0.749, residual support = 1.3:
          QD2   LEU   67 - HB2   HIS  122   2.43 +/- 0.51  97.251% * 92.1435% (0.41   0.75   1.30) =  99.926%  kept
          QG2   ILE  119 - HB2   HIS  122   5.75 +/- 0.47   1.707% *  3.1446% (0.53   0.02   7.66) =   0.060%
          QD1   LEU   40 - HB2   HIS  122   5.60 +/- 0.34   1.028% *  1.1828% (0.20   0.02   0.02) =   0.014%
          QD2   LEU   71 - HB2   HIS  122  12.18 +/- 0.50   0.009% *  1.4903% (0.25   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   HIS  122  14.13 +/- 0.95   0.004% *  2.0388% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.38, support = 0.0199, residual support = 0.0199:
          QD1   LEU   63 - HB2   HIS  122   5.72 +/- 0.39  80.228% *  4.5130% (0.15   0.02   0.02) =  51.510%  kept
          QD1   LEU  104 - HB2   HIS  122   7.93 +/- 0.62  12.954% * 20.0916% (0.69   0.02   0.02) =  37.028%  kept
          QD2   LEU  115 - HB2   HIS  122   8.77 +/- 0.45   6.530% * 12.0248% (0.41   0.02   0.02) =  11.172%  kept
          QD1   LEU   73 - HB2   HIS  122  15.30 +/- 0.47   0.231% *  4.5130% (0.15   0.02   0.02) =   0.148%
          QG2   ILE   89 - HB2   HIS  122  21.64 +/- 0.42   0.028% * 16.5597% (0.57   0.02   0.02) =   0.067%
          QG1   VAL   83 - HB2   HIS  122  25.85 +/- 0.89   0.010% * 29.1845% (1.00   0.02   0.02) =   0.042%
          QD2   LEU   80 - HB2   HIS  122  23.49 +/- 1.08   0.018% * 13.1134% (0.45   0.02   0.02) =   0.034%
    Distance limit 4.57 A violated in 20 structures by 0.94 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.7, residual support = 71.9:
      O   HD2   HIS  122 - HB2   HIS  122   3.94 +/- 0.02  99.852% * 99.0437% (1.00   3.70  71.94) =  99.999%  kept
          HE22  GLN  116 - HB2   HIS  122  12.31 +/- 0.97   0.118% *  0.5348% (1.00   0.02   0.02) =   0.001%
          QD    PHE   45 - HB2   HIS  122  16.21 +/- 0.38   0.021% *  0.2012% (0.38   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  18.79 +/- 0.79   0.009% *  0.2203% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 5.85, residual support = 71.9:
      O   HN    HIS  122 - HB2   HIS  122   3.62 +/- 0.05  99.218% * 99.0369% (0.41   5.85  71.94) =  99.998%  kept
          QD    PHE   59 - HB2   HIS  122   8.52 +/- 0.89   0.780% *  0.2810% (0.34   0.02   0.02) =   0.002%
          HD1   TRP   27 - HB2   HIS  122  22.78 +/- 0.59   0.002% *  0.2810% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  32.06 +/- 0.89   0.000% *  0.4010% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 3.71, residual support = 71.9:
      O   HD2   HIS  122 - HB3   HIS  122   2.88 +/- 0.04  99.954% * 99.0485% (1.00   3.71  71.94) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.88 +/- 1.26   0.041% *  0.5321% (1.00   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.76 +/- 0.39   0.004% *  0.2001% (0.38   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.43 +/- 0.83   0.001% *  0.2192% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 5.91, residual support = 71.9:
      O   HN    HIS  122 - HB3   HIS  122   2.53 +/- 0.11  99.986% * 99.5168% (0.90   5.91  71.94) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  11.16 +/- 0.69   0.014% *  0.1281% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  31.44 +/- 1.09   0.000% *  0.3551% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 0.75, residual support = 3.77:
          QD2   LEU   67 - HB3   HIS  122   3.60 +/- 0.74  65.227% * 42.9021% (0.41   0.75   1.30) =  61.126%  kept
          QG2   ILE  119 - HB3   HIS  122   4.53 +/- 0.99  32.390% * 54.9040% (0.53   0.75   7.66) =  38.845%  kept
        T QD1   LEU   40 - HB3   HIS  122   6.23 +/- 0.69   2.340% *  0.5507% (0.20   0.02   0.02) =   0.028%
          QD2   LEU   71 - HB3   HIS  122  12.94 +/- 0.72   0.026% *  0.6939% (0.25   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   HIS  122  14.07 +/- 1.07   0.017% *  0.9492% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.29, residual support = 31.6:
          HA    ALA  120 - HG    LEU  123   2.83 +/- 0.69  99.196% * 96.3728% (0.68   3.29  31.57) =  99.997%  kept
          HA    LYS+ 121 - HG    LEU  123   7.08 +/- 0.40   0.643% *  0.4055% (0.47   0.02   2.19) =   0.003%
          HA    LYS+  65 - HG    LEU  123  12.21 +/- 0.93   0.058% *  0.4931% (0.57   0.02   0.02) =   0.000%
          QB    SER  117 - HG    LEU  123   9.64 +/- 0.69   0.091% *  0.2014% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  16.46 +/- 1.18   0.009% *  0.5294% (0.62   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  20.11 +/- 0.45   0.002% *  0.4511% (0.52   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  25.00 +/- 0.85   0.000% *  0.5121% (0.60   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  24.41 +/- 0.66   0.000% *  0.3580% (0.42   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  23.04 +/- 0.67   0.001% *  0.1472% (0.17   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  32.85 +/- 0.63   0.000% *  0.5294% (0.62   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.82, residual support = 203.6:
          HN    LEU  123 - HG    LEU  123   3.42 +/- 0.10  99.997% * 99.5550% (0.36   5.82 203.56) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  20.50 +/- 1.30   0.002% *  0.1286% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  29.87 +/- 0.70   0.000% *  0.3164% (0.33   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.47, residual support = 31.6:
          HA    ALA  120 - HB3   LEU  123   3.59 +/- 0.11  98.036% * 96.5464% (0.99   3.47  31.57) =  99.992%  kept
          HA    LYS+ 121 - HB3   LEU  123   7.02 +/- 0.23   1.764% *  0.3861% (0.69   0.02   2.19) =   0.007%
          QB    SER  117 - HB3   LEU  123  10.52 +/- 0.20   0.155% *  0.1917% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  13.75 +/- 0.73   0.033% *  0.4695% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  17.56 +/- 0.92   0.008% *  0.5041% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  22.23 +/- 0.29   0.002% *  0.4295% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  27.22 +/- 0.83   0.001% *  0.4876% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  26.95 +/- 0.48   0.001% *  0.3409% (0.61   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  25.55 +/- 0.45   0.001% *  0.1402% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  34.92 +/- 0.63   0.000% *  0.5041% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.739, support = 4.99, residual support = 93.9:
          HN    ALA  124 - HB3   LEU  123   2.90 +/- 0.13  77.591% * 28.5897% (0.57   4.22  14.92) =  58.150%  kept
      O   HN    LEU  123 - HB3   LEU  123   3.58 +/- 0.05  22.408% * 71.2459% (0.98   6.07 203.56) =  41.850%  kept
          HE21  GLN   17 - HB3   LEU  123  22.01 +/- 1.31   0.000% *  0.1644% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 31.6:
          HA    ALA  120 - HB2   LEU  123   1.94 +/- 0.06  99.798% * 96.7119% (0.99   3.65  31.57) =  99.999%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.54 +/- 0.27   0.191% *  0.3676% (0.69   0.02   2.19) =   0.001%
          QB    SER  117 - HB2   LEU  123   9.03 +/- 0.19   0.010% *  0.1825% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   LEU  123  13.96 +/- 0.69   0.001% *  0.4470% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  17.88 +/- 0.89   0.000% *  0.4799% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.78 +/- 0.29   0.000% *  0.4090% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  26.43 +/- 0.74   0.000% *  0.4642% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  26.04 +/- 0.42   0.000% *  0.3246% (0.61   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  24.43 +/- 0.40   0.000% *  0.1334% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  33.78 +/- 0.65   0.000% *  0.4799% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.782, support = 5.45, residual support = 113.1:
      O   HN    LEU  123 - HB2   LEU  123   2.38 +/- 0.08  31.587% * 70.0573% (0.98   6.24 203.56) =  52.061%  kept
          HN    ALA  124 - HB2   LEU  123   2.08 +/- 0.08  68.413% * 29.7855% (0.57   4.60  14.92) =  47.939%  kept
          HE21  GLN   17 - HB2   LEU  123  22.19 +/- 1.17   0.000% *  0.1573% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.566, support = 5.52, residual support = 31.6:
        T HA    ALA  120 - QD1   LEU  123   2.73 +/- 0.51  97.346% * 96.3919% (0.57   5.52  31.57) =  99.996%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.38 +/- 0.13   2.514% *  0.1221% (0.20   0.02   2.19) =   0.003%
          HA    LYS+  65 - QD1   LEU  123   9.05 +/- 0.58   0.114% *  0.5837% (0.95   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU  123  12.47 +/- 0.77   0.017% *  0.5534% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  18.85 +/- 0.40   0.001% *  0.4716% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.93 +/- 0.27   0.004% *  0.1539% (0.25   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  21.05 +/- 0.53   0.001% *  0.3493% (0.57   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  20.11 +/- 0.68   0.001% *  0.2105% (0.34   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  20.74 +/- 0.67   0.001% *  0.1905% (0.31   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  26.60 +/- 0.54   0.000% *  0.5534% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  20.03 +/- 0.40   0.001% *  0.0952% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  28.00 +/- 0.39   0.000% *  0.3246% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3354 (7.46, 1.35, 61.60 ppm):
    3 chemical-shift based assignments, quality = 0.591, support = 1.96, residual support = 9.77:
      O   HN    ALA  124 - QB    ALA  124   2.32 +/- 0.30  97.463% * 28.6034% (0.57   1.91   9.44) =  93.928%  kept
          HN    LEU  123 - QB    ALA  124   4.51 +/- 0.29   2.537% * 71.0326% (0.98   2.73  14.92) =   6.072%  kept
          HE21  GLN   17 - QB    ALA  124  21.53 +/- 1.20   0.000% *  0.3640% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.98, support = 1.91, residual support = 9.44:
      O   HN    ALA  124 - HA    ALA  124   2.80 +/- 0.20  96.514% * 97.5793% (0.98   1.91   9.44) =  99.970%  kept
          HN    LEU  123 - HA    ALA  124   5.00 +/- 0.21   3.313% *  0.8362% (0.80   0.02  14.92) =   0.029%
          HN    ALA  120 - HA    ALA  124   8.12 +/- 0.38   0.167% *  0.1829% (0.18   0.02   1.29) =   0.000%
          HE21  GLN   17 - HA    ALA   34  15.61 +/- 1.55   0.004% *  0.1209% (0.12   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  24.84 +/- 1.23   0.000% *  1.0442% (1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  19.95 +/- 0.53   0.001% *  0.0968% (0.09   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  22.32 +/- 0.52   0.000% *  0.1185% (0.11   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  22.29 +/- 0.47   0.000% *  0.0212% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.835, support = 5.88, residual support = 167.2:
      O   HN    LEU  123 - HA    LEU  123   2.89 +/- 0.03  79.056% * 52.0370% (0.80   6.18 203.56) =  80.729%  kept
      O   HN    ALA  124 - HA    LEU  123   3.62 +/- 0.02  20.580% * 47.7159% (0.98   4.63  14.92) =  19.271%  kept
          HN    ALA  120 - HA    LEU  123   7.10 +/- 0.07   0.363% *  0.0368% (0.18   0.02  31.57) =   0.000%
          HE21  GLN   17 - HA    LEU  123  20.41 +/- 1.34   0.001% *  0.2103% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  16.15 +/- 0.42 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.68 A violated in 20 structures by 12.46 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.97, residual support = 22.4:
      O   HN    ILE  103 - HA    LYS+ 102   2.24 +/- 0.08  99.999% * 99.1182% (0.69   5.97  22.37) = 100.000%  kept
          HN    GLY  109 - HA    LYS+ 102  18.19 +/- 0.37   0.000% *  0.0654% (0.14   0.02   0.02) =   0.000%
          HN    GLN   90 - HA    LYS+ 102  26.31 +/- 0.95   0.000% *  0.4191% (0.87   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.06 +/- 1.18   0.000% *  0.0654% (0.14   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  27.68 +/- 1.36   0.000% *  0.3319% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 14.3:
      O   HN    PHE   95 - HA    THR   94   2.20 +/- 0.04 100.000% *100.0000% (0.73   3.16  14.32) = 100.000%  kept
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.56, residual support = 83.0:
      O   HN    LEU   80 - HB2   LEU   80   3.23 +/- 0.14  99.992% * 99.2173% (1.00   5.56  83.03) = 100.000%  kept
          HN    CYS   53 - HB2   LEU   80  17.98 +/- 0.55   0.004% *  0.3382% (0.95   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   LEU   80  20.71 +/- 0.59   0.002% *  0.3450% (0.97   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  18.28 +/- 0.60   0.003% *  0.0994% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.01, residual support = 83.0:
      O   HN    LEU   80 - HB3   LEU   80   2.44 +/- 0.42  99.997% * 99.2756% (1.00   6.01  83.03) = 100.000%  kept
          HN    CYS   53 - HB3   LEU   80  17.41 +/- 0.65   0.001% *  0.3130% (0.95   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   LEU   80  19.39 +/- 0.50   0.001% *  0.3194% (0.97   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  17.07 +/- 0.50   0.001% *  0.0920% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 83.0:
      O   HA    LEU   80 - HB3   LEU   80   2.76 +/- 0.23  98.489% * 98.8115% (0.98   5.17  83.03) =  99.996%  kept
          HA    ASP-  78 - HB3   LEU   80   6.24 +/- 0.43   0.924% *  0.2366% (0.61   0.02   4.96) =   0.002%
          HA    THR   23 - HB3   LEU   80   6.87 +/- 0.72   0.482% *  0.3498% (0.90   0.02   0.02) =   0.002%
          HB    THR   23 - HB3   LEU   80   8.80 +/- 0.86   0.104% *  0.3498% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  23.08 +/- 1.36   0.000% *  0.2523% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.539, support = 4.26, residual support = 83.0:
      O   QD2   LEU   80 - HB3   LEU   80   2.49 +/- 0.17  79.680% * 76.9367% (0.57   4.23  83.03) =  93.642%  kept
      O   QD1   LEU   80 - HB3   LEU   80   3.16 +/- 0.22  20.300% * 20.5043% (0.14   4.71  83.03) =   6.358%  kept
        T QD1   LEU   73 - HB3   LEU   80  10.57 +/- 0.40   0.013% *  0.5936% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  13.57 +/- 0.74   0.003% *  0.1604% (0.25   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB3   LEU   80  18.19 +/- 0.79   0.001% *  0.5936% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  13.96 +/- 0.97   0.003% *  0.0870% (0.14   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  20.25 +/- 0.78   0.000% *  0.5149% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  20.80 +/- 0.87   0.000% *  0.3900% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  21.11 +/- 1.08   0.000% *  0.2194% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.634, support = 4.98, residual support = 83.0:
      O   HA    LEU   80 - HG    LEU   80   3.70 +/- 0.21  94.194% * 96.4250% (0.63   4.98  83.03) =  99.981%  kept
          HA    THR   23 - HG    LEU   80   6.91 +/- 0.50   2.763% *  0.3544% (0.58   0.02   0.02) =   0.011%
          HA    ASP-  78 - HG    LEU   80   8.05 +/- 0.45   1.166% *  0.2397% (0.39   0.02   4.96) =   0.003%
          HB    THR   23 - HG    LEU   80   8.41 +/- 0.52   0.772% *  0.3544% (0.58   0.02   0.02) =   0.003%
          HA    ASP- 105 - HG    LEU   40   8.93 +/- 0.55   0.546% *  0.1924% (0.31   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   73  10.53 +/- 1.13   0.238% *  0.1407% (0.23   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  11.10 +/- 1.14   0.169% *  0.1407% (0.23   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  13.43 +/- 0.18   0.043% *  0.1206% (0.20   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  13.62 +/- 0.23   0.040% *  0.1206% (0.20   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  15.51 +/- 0.93   0.019% *  0.1537% (0.25   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  16.28 +/- 1.30   0.016% *  0.1015% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  16.50 +/- 0.72   0.013% *  0.0951% (0.16   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  21.52 +/- 1.49   0.003% *  0.2667% (0.44   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  19.41 +/- 0.33   0.005% *  0.1318% (0.22   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  22.23 +/- 1.38   0.002% *  0.2667% (0.44   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  23.37 +/- 1.60   0.002% *  0.2556% (0.42   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  20.03 +/- 0.28   0.004% *  0.0816% (0.13   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.53 +/- 0.61   0.004% *  0.0870% (0.14   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  25.16 +/- 1.43   0.001% *  0.2915% (0.48   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  24.80 +/- 1.22   0.001% *  0.1804% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.192, support = 4.39, residual support = 132.2:
          HN    LEU   73 - HG    LEU   73   4.01 +/- 0.51  29.750% * 42.8550% (0.20   4.41 161.29) =  56.816%  kept
          HN    ILE   19 - HG12  ILE   19   3.58 +/- 0.23  52.428% * 10.1165% (0.03   6.01 170.04) =  23.636%  kept
          HN    VAL   42 - HG    LEU   40   5.70 +/- 1.24  10.035% * 43.6085% (0.37   2.37   2.07) =  19.501%  kept
          HN    VAL   42 - HG    LEU   73   6.13 +/- 1.24   3.390% *  0.1943% (0.20   0.02   2.37) =   0.029%
          HN    ILE   19 - HG    LEU   73   5.99 +/- 0.63   3.180% *  0.0392% (0.04   0.02   4.00) =   0.006%
          HN    LEU   73 - HG12  ILE   19   7.50 +/- 0.44   0.630% *  0.1666% (0.17   0.02   4.00) =   0.005%
          HN    LEU   73 - HG    LEU   40   9.33 +/- 1.35   0.244% *  0.3684% (0.37   0.02   0.02) =   0.004%
          HN    LYS+ 106 - HG    LEU   40  10.48 +/- 0.37   0.088% *  0.4027% (0.41   0.02   0.02) =   0.002%
          HN    VAL   42 - HG12  ILE   19   9.21 +/- 0.72   0.191% *  0.1666% (0.17   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   80  15.52 +/- 0.98   0.008% *  0.4896% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.12 +/- 1.26   0.041% *  0.0744% (0.08   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  18.29 +/- 1.02   0.003% *  0.4896% (0.49   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  16.26 +/- 1.19   0.006% *  0.2124% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  22.14 +/- 1.70   0.001% *  0.5351% (0.54   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  17.67 +/- 0.79   0.004% *  0.0989% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.76 +/- 0.59   0.001% *  0.1821% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.734, support = 5.01, residual support = 130.7:
      O T HA    LYS+  99 - HB3   LYS+  99   2.48 +/- 0.20  45.219% * 76.8547% (0.76   6.03 169.85) =  74.605%  kept
          HA    LEU   40 - HB3   LYS+  99   2.46 +/- 0.62  54.734% * 21.6125% (0.65   2.00  15.55) =  25.395%  kept
          HA    ASN   35 - HB3   LYS+  99   8.16 +/- 0.47   0.045% *  0.2992% (0.90   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  15.04 +/- 0.41   0.001% *  0.3270% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  15.73 +/- 1.48   0.001% *  0.1496% (0.45   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  20.02 +/- 0.54   0.000% *  0.3080% (0.92   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  20.32 +/- 0.56   0.000% *  0.1624% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  20.91 +/- 1.77   0.000% *  0.1496% (0.45   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  22.31 +/- 0.84   0.000% *  0.1371% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 3.85, residual support = 169.8:
      O   HN    LYS+  99 - HB3   LYS+  99   3.38 +/- 0.19  98.916% * 97.3542% (0.31   3.85 169.85) =  99.993%  kept
          HE1   HIS  122 - HB3   LYS+  99   8.52 +/- 2.68   0.874% *  0.4087% (0.25   0.02   0.02) =   0.004%
          HN    ASN   35 - HB3   LYS+  99   9.69 +/- 0.42   0.206% *  1.3690% (0.84   0.02   0.02) =   0.003%
          HN    GLU-  14 - HB3   LYS+  99  19.85 +/- 1.62   0.003% *  0.2529% (0.15   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  24.45 +/- 2.48   0.001% *  0.6151% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 1.84, residual support = 19.2:
        T QD1   LEU  104 - HB3   LYS+  99   2.38 +/- 0.46  99.996% * 94.6938% (0.41   1.84  19.19) = 100.000%  kept
          QD2   LEU  115 - HB3   LYS+  99  14.94 +/- 0.63   0.003% *  0.4946% (0.20   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB3   LYS+  99  20.25 +/- 0.51   0.000% *  2.0874% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  21.66 +/- 1.19   0.000% *  2.1678% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  20.00 +/- 0.87   0.001% *  0.5564% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 2.42, residual support = 15.5:
        T QD2   LEU   40 - HB3   LYS+  99   2.50 +/- 0.52  99.396% * 96.8486% (0.76   2.42  15.55) =  99.996%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.15 +/- 0.31   0.326% *  0.6340% (0.61   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB3   LYS+  99   7.14 +/- 0.64   0.272% *  0.7591% (0.73   0.02   0.02) =   0.002%
          HB    VAL   75 - HB3   LYS+  99  16.97 +/- 0.73   0.002% *  0.9889% (0.95   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LYS+  99  14.91 +/- 0.46   0.004% *  0.2607% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  18.81 +/- 0.88   0.001% *  0.5088% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.77, residual support = 169.8:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.68 +/- 0.21  99.902% * 98.1511% (0.97   5.77 169.85) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99   9.16 +/- 0.39   0.069% *  0.3516% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  13.23 +/- 0.67   0.008% *  0.2421% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  12.98 +/- 0.64   0.009% *  0.1449% (0.41   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  14.60 +/- 0.61   0.004% *  0.1088% (0.31   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  14.48 +/- 0.94   0.005% *  0.0697% (0.20   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.40 +/- 0.43   0.002% *  0.1715% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  20.43 +/- 0.92   0.001% *  0.2693% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  23.63 +/- 0.98   0.000% *  0.1854% (0.53   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  26.22 +/- 0.52   0.000% *  0.3057% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 169.8:
      O T HB2   LYS+  99 - HA    LYS+  99   2.97 +/- 0.14  99.956% * 99.2867% (0.99   7.00 169.85) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  10.97 +/- 0.33   0.042% *  0.2707% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  18.05 +/- 1.02   0.002% *  0.1620% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  27.01 +/- 0.72   0.000% *  0.2805% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.569, support = 5.27, residual support = 178.8:
      O T QD    LYS+  99 - HG3   LYS+  99   2.29 +/- 0.15  56.949% * 20.1706% (0.34   5.27 169.85) =  44.143%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.92 +/- 0.23  15.379% * 59.4758% (0.99   5.35 169.85) =  35.149%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.58 +/- 0.12  27.618% * 19.5101% (0.34   5.14 213.00) =  20.707%  kept
          HB3   LYS+  99 - HG3   LYS+  38   9.14 +/- 0.85   0.017% *  0.0232% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   8.13 +/- 0.62   0.032% *  0.0080% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  12.82 +/- 0.70   0.002% *  0.0692% (0.31   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.12 +/- 0.60   0.000% *  0.2122% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  14.18 +/- 1.11   0.001% *  0.0393% (0.18   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.84 +/- 0.44   0.001% *  0.0860% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG12  ILE   89  17.76 +/- 1.10   0.000% *  0.0281% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  18.15 +/- 1.00   0.000% *  0.0159% (0.07   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  27.91 +/- 0.81   0.000% *  0.1873% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  15.91 +/- 1.39   0.001% *  0.0041% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  26.52 +/- 0.72   0.000% *  0.0902% (0.40   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  17.80 +/- 1.28   0.000% *  0.0072% (0.03   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  22.62 +/- 1.33   0.000% *  0.0221% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  25.90 +/- 0.41   0.000% *  0.0310% (0.14   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  30.41 +/- 1.27   0.000% *  0.0195% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 6.44, residual support = 169.8:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.56 +/- 0.26  99.854% * 98.6794% (0.99   6.44 169.85) = 100.000%  kept
          QD    LYS+  81 - HG12  ILE   89   9.24 +/- 0.92   0.057% *  0.1230% (0.40   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38   9.35 +/- 0.91   0.076% *  0.0320% (0.10   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.47 +/- 0.67   0.007% *  0.2927% (0.95   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG12  ILE   89  15.82 +/- 0.62   0.002% *  0.1187% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  19.04 +/- 1.28   0.001% *  0.1752% (0.57   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.02 +/- 1.19   0.002% *  0.0305% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  20.23 +/- 2.43   0.001% *  0.0183% (0.06   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  29.42 +/- 0.96   0.000% *  0.3033% (0.98   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  26.90 +/- 0.55   0.000% *  0.1244% (0.40   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  28.21 +/- 0.89   0.000% *  0.0710% (0.23   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  30.75 +/- 1.59   0.000% *  0.0316% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 118.4:
    * O   HA    GLN  116 - HG3   GLN  116   3.38 +/- 0.15  99.994% * 98.1354% (1.00   5.07 118.40) = 100.000%  kept
          HA    VAL   18 - HG3   GLN  116  20.87 +/- 0.45   0.002% *  0.2657% (0.69   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLN  116  22.34 +/- 0.38   0.001% *  0.3868% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  22.87 +/- 1.08   0.001% *  0.0964% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  22.55 +/- 0.57   0.001% *  0.0765% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  31.73 +/- 0.54   0.000% *  0.3355% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  29.97 +/- 0.85   0.000% *  0.1883% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  33.13 +/- 0.52   0.000% *  0.2808% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  34.27 +/- 0.98   0.000% *  0.2346% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.53, residual support = 118.4:
      O   HB2   GLN  116 - HG3   GLN  116   2.30 +/- 0.03  99.991% * 98.8362% (0.98   5.53 118.40) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116  11.28 +/- 0.78   0.008% *  0.1636% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  17.28 +/- 0.48   0.001% *  0.3272% (0.90   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  27.07 +/- 1.12   0.000% *  0.3649% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  25.61 +/- 0.67   0.000% *  0.2066% (0.57   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  29.95 +/- 0.67   0.000% *  0.1015% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.14, residual support = 100.8:
          QD2   LEU  115 - HG3   GLN  116   3.81 +/- 0.19  98.996% * 98.8250% (0.97   7.14 100.83) =  99.999%  kept
          QD1   LEU   63 - HG3   GLN  116   9.17 +/- 0.35   0.528% *  0.1971% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG3   GLN  116   9.54 +/- 0.67   0.457% *  0.0443% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG3   GLN  116  16.92 +/- 0.52   0.013% *  0.2813% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  21.26 +/- 0.41   0.003% *  0.1971% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  25.31 +/- 1.16   0.001% *  0.2813% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  26.68 +/- 1.23   0.001% *  0.1740% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.0, residual support = 118.4:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.6125% (0.98   6.00 118.40) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  12.63 +/- 0.63   0.001% *  0.3204% (0.95   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  34.74 +/- 0.62   0.000% *  0.0670% (0.20   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 = 0.687, support = 3.83, residual support = 118.4:
      O   HE21  GLN  116 - HG3   GLN  116   3.49 +/- 0.31  98.791% * 98.3622% (0.69   3.83 118.40) =  99.997%  kept
          HN    ALA  120 - HG3   GLN  116   7.45 +/- 0.23   1.135% *  0.2306% (0.31   0.02   0.29) =   0.003%
          HN    ALA   57 - HG3   GLN  116  11.77 +/- 0.61   0.073% *  0.5709% (0.76   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  25.75 +/- 1.67   0.001% *  0.7210% (0.97   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  30.63 +/- 1.17   0.000% *  0.1153% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 7.16, residual support = 118.4:
          HN    GLN  116 - HG3   GLN  116   3.62 +/- 0.21  95.643% * 98.9300% (0.69   7.16 118.40) =  99.990%  kept
          HN    THR  118 - HG3   GLN  116   6.98 +/- 0.16   1.874% *  0.3715% (0.92   0.02   0.02) =   0.007%
          HN    GLU- 114 - HG3   GLN  116   6.75 +/- 0.29   2.389% *  0.1003% (0.25   0.02   0.21) =   0.003%
          HN    PHE   60 - HG3   GLN  116  11.49 +/- 0.62   0.095% *  0.4024% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HG3   GLN  116  27.79 +/- 0.87   0.000% *  0.1959% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.917, support = 6.6, residual support = 173.9:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.598% * 88.5165% (1.00   6.61 169.85) =  91.008%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.598% *  8.7455% (0.10   6.48 214.56) =   8.992%  kept
          QB    ALA   88 - HG12  ILE   89   4.53 +/- 0.41   0.194% *  0.0747% (0.28   0.02   5.53) =   0.000%
          QB    ALA   84 - HG12  ILE   89   3.92 +/- 0.40   0.558% *  0.0191% (0.07   0.02  13.96) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   7.58 +/- 1.01   0.009% *  0.2589% (0.97   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.20 +/- 1.16   0.009% *  0.0669% (0.25   0.02  16.31) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   7.06 +/- 0.90   0.015% *  0.0279% (0.10   0.02   0.02) =   0.000%
          QG2   THR   77 - HG12  ILE   89   7.31 +/- 0.67   0.012% *  0.0336% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   8.91 +/- 1.07   0.004% *  0.0790% (0.29   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.94 +/- 0.67   0.000% *  0.2327% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.17 +/- 0.79   0.000% *  0.1627% (0.61   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  15.33 +/- 0.93   0.000% *  0.0915% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.60 +/- 0.82   0.000% *  0.0243% (0.09   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  11.91 +/- 1.99   0.001% *  0.0070% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.91 +/- 0.91   0.000% *  0.1306% (0.49   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  17.54 +/- 1.34   0.000% *  0.1004% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  14.01 +/- 0.38   0.000% *  0.0168% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  17.42 +/- 0.82   0.000% *  0.0529% (0.20   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  22.76 +/- 0.71   0.000% *  0.2476% (0.92   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.28 +/- 0.48   0.000% *  0.0828% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  21.01 +/- 1.47   0.000% *  0.0944% (0.35   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  25.39 +/- 1.07   0.000% *  0.1948% (0.73   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  27.97 +/- 0.59   0.000% *  0.1842% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.86 +/- 0.65   0.000% *  0.0414% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  23.61 +/- 0.41   0.000% *  0.0660% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  20.75 +/- 1.56   0.000% *  0.0271% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.22 +/- 1.49   0.000% *  0.0170% (0.06   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  23.83 +/- 0.53   0.000% *  0.0470% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.65 +/- 1.69   0.000% *  0.0136% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  28.41 +/- 0.77   0.000% *  0.1085% (0.40   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  20.74 +/- 1.01   0.000% *  0.0095% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  30.95 +/- 1.16   0.000% *  0.1050% (0.39   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.84 +/- 1.17   0.000% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  26.36 +/- 1.28   0.000% *  0.0203% (0.08   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  29.12 +/- 0.97   0.000% *  0.0371% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  28.63 +/- 1.20   0.000% *  0.0258% (0.10   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  30.25 +/- 1.12   0.000% *  0.0192% (0.07   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  25.45 +/- 1.02   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  26.54 +/- 1.43   0.000% *  0.0043% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2700
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    113
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1913
      with multiple volume contributions     :    318
      eliminated by violation filter         :    168
 
    Peaks:
      selected                               :   2700
      without assignment                     :    187
      with assignment                        :   2513
      with unique assignment                 :   2133
      with multiple assignment               :    380
      with reference assignment              :   1605
      with identical reference assignment    :   1317
      with compatible reference assignment   :    271
      with incompatible reference assignment :      9
      with additional reference assignment   :      8
      with additional assignment             :    916
 
    Atoms with eliminated volume contribution > 2.5:
    QG1   VAL   18       2.8
    QG2   VAL   18       2.9
    HA    HIS   22       2.9
    QB    LYS+  33       2.8
    QD2   LEU   40       3.9
    QD    PHE   45       6.0
    HD2   PRO   52       2.9
    QG2   ILE   56       4.0
    QD1   ILE   56       7.2
    QD    PHE   59       6.7
    QD    PHE   60       5.5
    HN    LYS+  65       6.0
    HZ    PHE   72       2.6
    HA    LEU   73       2.9
    QG    LYS+  81       2.8
    QB    ALA   84       2.9
    QG2   ILE   89       6.9
    QD1   ILE   89       5.3
    HB    THR   94       3.3
    QE    PHE   95       2.7
    HB3   MET   96       2.8
    HA    LYS+ 106       3.0
    QG1   VAL  107       4.9
    QG2   VAL  107       5.3
    QG2   VAL  108       3.5
    HA    LYS+ 112       3.0
    QE    LYS+ 112       3.4
    HA    THR  118       5.9
    QD1   ILE  119       4.1
 
    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 = 3.93, residual support = 69.5:
        T HA    PHE   60 - QD    PHE   60   2.98 +/- 0.08  99.685% * 98.1734% (0.87   3.93  69.47) =  99.999%  kept
          HB    THR   94 - QD    PHE   60   8.37 +/- 0.17   0.207% *  0.2805% (0.49   0.02   0.02) =   0.001%
        T QB    SER  117 - QD    PHE   60  11.35 +/- 0.32   0.034% *  0.5168% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  12.79 +/- 0.39   0.016% *  0.3728% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  12.99 +/- 0.22   0.015% *  0.3262% (0.57   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  12.22 +/- 0.53   0.022% *  0.2163% (0.38   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  12.31 +/- 0.31   0.021% *  0.1140% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.687, support = 1.0, residual support = 69.2:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.879% * 92.9101% (0.69   1.00  69.21) =  99.998%  kept
          HN    TRP   87 - HZ3   TRP   87   7.73 +/- 0.06   0.113% *  1.6408% (0.61   0.02  69.21) =   0.002%
          HN    ALA   91 - HZ3   TRP   87  12.19 +/- 0.93   0.008% *  0.8349% (0.31   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  27.26 +/- 0.62   0.000% *  1.0153% (0.38   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  32.44 +/- 1.11   0.000% *  2.0674% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  34.52 +/- 1.60   0.000% *  1.5315% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  18.92 +/- 0.49 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.50 A violated in 20 structures by 13.42 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.07, residual support = 5.01:
          QB    ALA   20 - HE1   HIS   22   3.51 +/- 0.06  99.989% * 93.1993% (0.76   1.07   5.01) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  19.23 +/- 0.81   0.004% *  2.1464% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  18.37 +/- 0.16   0.005% *  0.5658% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  24.02 +/- 0.71   0.001% *  1.1938% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  22.70 +/- 1.00   0.001% *  0.6309% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  29.53 +/- 0.82   0.000% *  2.2639% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.249, support = 5.36, residual support = 49.3:
          HN    ASN   28 - HD1   TRP   27   1.89 +/- 0.03  99.747% * 96.9195% (0.25   5.36  49.28) =  99.996%  kept
          HN    GLU-  25 - HD1   TRP   27   5.14 +/- 0.10   0.250% *  1.4364% (0.99   0.02   0.02) =   0.004%
          HN    ASP-  44 - HD1   TRP   27  10.55 +/- 0.27   0.003% *  1.4205% (0.98   0.02   0.02) =   0.000%
          HN    ALA  110 - HD1   TRP   27  21.07 +/- 0.35   0.000% *  0.2236% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.01, residual support = 95.9:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92   2.01  95.94) = 100.000%  kept
    Distance limit 5.50 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 = 1.2, residual support = 95.9:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.998% * 99.7418% (0.89   1.20  95.94) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  14.92 +/- 0.42   0.002% *  0.2582% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.957, support = 3.28, residual support = 95.9:
          HA    TRP   27 - HE3   TRP   27   4.06 +/- 0.04  99.853% * 98.1570% (0.96   3.28  95.94) = 100.000%  kept
          HA    ALA   91 - HE3   TRP   27  15.32 +/- 1.41   0.040% *  0.6141% (0.98   0.02   0.02) =   0.000%
          HA    VAL  107 - HE3   TRP   27  16.46 +/- 0.53   0.023% *  0.5720% (0.91   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  16.72 +/- 0.26   0.021% *  0.0956% (0.15   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  17.39 +/- 0.53   0.017% *  0.0890% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  17.49 +/- 0.34   0.016% *  0.0930% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  20.52 +/- 0.55   0.006% *  0.2326% (0.37   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  23.74 +/- 1.22   0.003% *  0.0956% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  17.47 +/- 0.39   0.016% *  0.0149% (0.02   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  21.23 +/- 0.28   0.005% *  0.0362% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.89, residual support = 95.9:
      O   HB3   TRP   27 - HE3   TRP   27   2.33 +/- 0.00  99.971% * 90.8378% (0.17   3.89  95.94) = 100.000%  kept
          QE    LYS+  99 - HN    LEU   67  10.16 +/- 0.49   0.015% *  0.3470% (0.13   0.02   0.02) =   0.000%
          QE    LYS+  99 - HE3   TRP   27  14.05 +/- 0.72   0.002% *  2.2303% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  17.33 +/- 1.04   0.001% *  2.6465% (0.98   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  17.31 +/- 0.77   0.001% *  2.5768% (0.96   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  13.34 +/- 0.64   0.003% *  0.4120% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  17.69 +/- 2.23   0.002% *  0.4118% (0.15   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  12.50 +/- 0.43   0.004% *  0.0641% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  19.59 +/- 0.43   0.000% *  0.4010% (0.15   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  17.38 +/- 0.36   0.001% *  0.0728% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.839, support = 1.5, residual support = 14.9:
          QG1   VAL   43 - HE3   TRP   27   4.06 +/- 0.17  43.624% * 74.5463% (0.99   1.50   9.13) =  78.761%  kept
          QD2   LEU   73 - HE3   TRP   27   4.08 +/- 0.09  42.000% * 20.7267% (0.28   1.50  36.46) =  21.084%  kept
          HG    LEU   31 - HE3   TRP   27   5.40 +/- 0.27   8.083% *  0.4086% (0.41   0.02  17.19) =   0.080%
          QG1   VAL   41 - HE3   TRP   27   7.89 +/- 0.71   0.984% *  0.9402% (0.94   0.02   0.02) =   0.022%
          QD1   ILE   19 - HE3   TRP   27   7.00 +/- 0.28   1.734% *  0.4838% (0.48   0.02   0.02) =   0.020%
          QG2   VAL   18 - HE3   TRP   27   8.47 +/- 0.82   0.609% *  0.9175% (0.91   0.02   0.02) =   0.014%
          QG2   THR   46 - HE3   TRP   27   8.46 +/- 0.42   0.556% *  0.8302% (0.83   0.02   0.02) =   0.011%
          QG2   VAL   18 - HN    LEU   67   7.20 +/- 0.76   1.886% *  0.1428% (0.14   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    LEU   67  11.31 +/- 0.17   0.093% *  0.1463% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    LEU   67  11.69 +/- 0.21   0.076% *  0.1547% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE3   TRP   27  13.96 +/- 0.98   0.029% *  0.3390% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67  10.40 +/- 0.23   0.155% *  0.0430% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    LEU   67  11.70 +/- 0.35   0.077% *  0.0753% (0.08   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  13.58 +/- 0.49   0.031% *  0.1292% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  12.51 +/- 0.71   0.054% *  0.0528% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  17.77 +/- 1.23   0.007% *  0.0636% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.372, support = 6.83, residual support = 36.5:
          QD1   LEU   73 - HE3   TRP   27   2.01 +/- 0.12  99.882% * 96.4877% (0.37   6.83  36.46) = 100.000%  kept
          QD2   LEU   80 - HE3   TRP   27   8.68 +/- 0.60   0.018% *  0.5754% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   67   6.71 +/- 0.23   0.079% *  0.0440% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   83 - HE3   TRP   27  12.05 +/- 0.65   0.002% *  0.6752% (0.89   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  13.61 +/- 0.75   0.001% *  0.7122% (0.94   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  12.01 +/- 0.41   0.002% *  0.2826% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  10.39 +/- 0.58   0.006% *  0.1108% (0.15   0.02   0.02) =   0.000%
          QG2   ILE   89 - HE3   TRP   27  11.97 +/- 0.87   0.003% *  0.2093% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.78 +/- 0.44   0.005% *  0.0851% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  16.32 +/- 0.46   0.000% *  0.5467% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  12.78 +/- 0.25   0.002% *  0.0440% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  21.27 +/- 0.99   0.000% *  0.0895% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  24.55 +/- 0.52   0.000% *  0.1051% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  20.99 +/- 0.29   0.000% *  0.0326% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.72, support = 1.14, residual support = 3.79:
          QG2   VAL   75 - HE3   TRP   27   2.27 +/- 0.33  99.588% * 98.1768% (0.72   1.14   3.79) =  99.998%  kept
          QG2   VAL   42 - HE3   TRP   27   8.85 +/- 0.81   0.109% *  1.3453% (0.56   0.02   0.02) =   0.002%
          QG2   VAL   42 - HN    LEU   67   6.41 +/- 0.35   0.301% *  0.2093% (0.09   0.02   0.02) =   0.001%
          QG2   VAL   75 - HN    LEU   67  14.73 +/- 0.35   0.002% *  0.2685% (0.11   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.36, residual support = 33.0:
      O T HB2   HIS   22 - HD2   HIS   22   3.91 +/- 0.04  99.995% * 99.3401% (0.92   2.36  32.97) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  20.94 +/- 0.70   0.004% *  0.4795% (0.53   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  26.02 +/- 0.72   0.001% *  0.1804% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 2.97, residual support = 33.0:
      O T HB3   HIS   22 - HD2   HIS   22   2.89 +/- 0.22  99.999% * 98.8110% (0.45   2.97  32.97) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  20.02 +/- 1.43   0.001% *  1.1890% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.876, support = 0.0195, residual support = 0.0195:
          QE    LYS+  74 - HD2   HIS   22   9.41 +/- 1.32  72.593% * 29.7119% (0.92   0.02   0.02) =  83.860%  kept
          QB    CYS   50 - HD2   HIS   22  14.43 +/- 0.90   6.080% * 28.8658% (0.90   0.02   0.02) =   6.823%  kept
          HB3   ASP-  78 - HD2   HIS   22  13.70 +/- 0.67   8.793% * 19.5221% (0.61   0.02   0.02) =   6.674%  kept
          HB2   PHE   72 - HD2   HIS   22  12.89 +/- 0.57  12.056% *  4.9662% (0.15   0.02   0.02) =   2.328%
          HB3   ASN   69 - HD2   HIS   22  22.12 +/- 0.53   0.479% * 16.9340% (0.53   0.02   0.02) =   0.315%
    Distance limit 5.50 A violated in 20 structures by 3.59 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 1.99, residual support = 5.01:
        T QB    ALA   20 - HD2   HIS   22   3.83 +/- 0.27  99.977% * 90.5040% (0.28   1.99   5.01) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  19.84 +/- 0.56   0.005% *  2.8404% (0.87   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  16.80 +/- 0.69   0.014% *  0.6480% (0.20   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  22.77 +/- 0.81   0.002% *  3.1602% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  29.53 +/- 0.61   0.000% *  2.1183% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  27.87 +/- 0.95   0.001% *  0.7290% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 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  18.49 +/- 0.59 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.50 A violated in 20 structures by 12.99 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 2.47, residual support = 3.95:
          HA    CYS   21 - HD2   HIS   22   3.84 +/- 0.36  99.903% * 96.6560% (0.95   2.47   3.95) = 100.000%  kept
          HA    TRP   49 - HD2   HIS   22  16.38 +/- 1.06   0.020% *  0.8290% (1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HD2   HIS   22  13.56 +/- 0.77   0.058% *  0.2305% (0.28   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   HIS   22  17.74 +/- 1.21   0.013% *  0.7842% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  22.14 +/- 0.60   0.003% *  0.8000% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  26.04 +/- 0.76   0.001% *  0.5363% (0.65   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  22.97 +/- 1.13   0.002% *  0.1641% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.998, support = 3.22, residual support = 49.3:
          HA    ASN   28 - HD1   TRP   27   2.75 +/- 0.16  98.897% * 96.8983% (1.00   3.22  49.28) =  99.998%  kept
          HA    THR   26 - HD1   TRP   27   5.92 +/- 0.07   1.074% *  0.1675% (0.28   0.02  19.80) =   0.002%
          HA    ALA   34 - HD1   TRP   27  12.27 +/- 0.27   0.013% *  0.5560% (0.92   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD1   TRP   27  14.22 +/- 1.93   0.008% *  0.4603% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD1   TRP   27  15.65 +/- 0.33   0.003% *  0.1192% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  14.76 +/- 0.25   0.004% *  0.0815% (0.14   0.02   0.02) =   0.000%
          HA    LEU  115 - HD1   TRP   27  22.61 +/- 0.50   0.000% *  0.5970% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  22.64 +/- 0.35   0.000% *  0.4138% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  25.89 +/- 0.86   0.000% *  0.3653% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  30.30 +/- 0.61   0.000% *  0.3410% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.25, residual support = 22.1:
          HA    VAL   24 - HD1   TRP   27   3.50 +/- 0.10  99.980% * 99.4256% (1.00   4.25  22.15) = 100.000%  kept
          HA    LYS+  38 - HD1   TRP   27  15.26 +/- 0.62   0.015% *  0.3219% (0.69   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  19.08 +/- 0.44   0.004% *  0.0927% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  22.16 +/- 0.31   0.002% *  0.1598% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.66, residual support = 95.9:
      O T HB2   TRP   27 - HD1   TRP   27   3.02 +/- 0.03  99.972% * 98.6712% (0.65   3.66  95.94) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  11.94 +/- 0.41   0.027% *  0.7891% (0.95   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  19.48 +/- 0.26   0.001% *  0.5396% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.09, residual support = 95.9:
      O T HB3   TRP   27 - HD1   TRP   27   3.93 +/- 0.00  99.955% * 98.2254% (0.73   4.09  95.94) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  17.29 +/- 0.90   0.014% *  0.6594% (1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  16.48 +/- 0.47   0.019% *  0.5051% (0.76   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  17.62 +/- 0.39   0.012% *  0.6101% (0.92   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.764, support = 2.61, residual support = 22.1:
          QG2   VAL   24 - HD1   TRP   27   2.77 +/- 0.14  95.531% * 98.0293% (0.76   2.61  22.15) =  99.986%  kept
          QG1   VAL   24 - HD1   TRP   27   4.65 +/- 0.21   4.466% *  0.3030% (0.31   0.02  22.15) =   0.014%
        T QG1   VAL  107 - HD1   TRP   27  16.33 +/- 0.42   0.002% *  0.6351% (0.65   0.02   0.02) =   0.000%
          HG    LEU   63 - HD1   TRP   27  20.72 +/- 0.67   0.001% *  0.5955% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  26.27 +/- 0.84   0.000% *  0.2186% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  27.20 +/- 0.89   0.000% *  0.2186% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.487, support = 4.05, residual support = 36.5:
          QD1   LEU   73 - HD1   TRP   27   4.12 +/- 0.04  97.085% * 95.9289% (0.49   4.05  36.46) =  99.975%  kept
          QD2   LEU   80 - HD1   TRP   27   7.71 +/- 0.34   2.375% *  0.8450% (0.87   0.02   0.02) =   0.022%
          QG1   VAL   83 - HD1   TRP   27  10.52 +/- 0.67   0.374% *  0.7800% (0.80   0.02   0.02) =   0.003%
          QD1   LEU  104 - HD1   TRP   27  15.62 +/- 0.63   0.034% *  0.9655% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   89 - HD1   TRP   27  13.30 +/- 0.91   0.094% *  0.1928% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  15.91 +/- 0.38   0.030% *  0.4742% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  20.24 +/- 0.45   0.007% *  0.8137% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.726, support = 1.54, residual support = 17.2:
          QD2   LEU   31 - HD1   TRP   27   3.78 +/- 0.41  99.747% * 96.7285% (0.73   1.54  17.19) =  99.996%  kept
          QG2   VAL   83 - HD1   TRP   27  10.95 +/- 0.75   0.203% *  1.7247% (1.00   0.02   0.02) =   0.004%
          QD1   ILE   89 - HD1   TRP   27  14.10 +/- 1.49   0.050% *  1.5468% (0.90   0.02   0.02) =   0.001%
    Distance limit 5.50 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 = 0.278, support = 1.32, residual support = 95.9:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.993% * 96.3986% (0.28   1.32  95.94) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  12.33 +/- 0.33   0.007% *  3.6014% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.1, residual support = 95.9:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92   2.10  95.94) = 100.000%  kept
    Distance limit 5.50 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 = 1.2, residual support = 95.9:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.948% * 95.6841% (1.00   1.20  95.94) =  99.999%  kept
          HN    THR   23 - HZ3   TRP   27   9.30 +/- 0.17   0.037% *  0.9675% (0.61   0.02   2.32) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  11.63 +/- 0.24   0.010% *  1.0319% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  18.53 +/- 0.42   0.001% *  1.5636% (0.98   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  14.92 +/- 0.42   0.002% *  0.3978% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  15.21 +/- 0.61   0.002% *  0.3551% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.76, 6.31, 122.21 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 1.41, residual support = 9.13:
        T QG1   VAL   43 - HH2   TRP   27   1.79 +/- 0.07  99.670% * 93.9898% (0.92   1.41   9.13) =  99.996%  kept
          HG    LEU   31 - HH2   TRP   27   5.37 +/- 0.21   0.148% *  0.9331% (0.65   0.02  17.19) =   0.001%
          QG1   VAL   41 - HH2   TRP   27   6.28 +/- 0.82   0.095% *  1.4393% (1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HH2   TRP   27   6.00 +/- 0.13   0.073% *  0.7021% (0.49   0.02  36.46) =   0.001%
          QG2   THR   46 - HH2   TRP   27   9.79 +/- 0.69   0.004% *  0.8749% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  10.22 +/- 0.92   0.003% *  1.0474% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27   9.90 +/- 0.26   0.004% *  0.4011% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  11.30 +/- 1.06   0.002% *  0.2526% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  12.61 +/- 0.30   0.001% *  0.3597% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 2.96, residual support = 9.13:
        T QG1   VAL   43 - HZ3   TRP   27   2.03 +/- 0.19  98.849% * 97.0377% (0.92   2.96   9.13) =  99.995%  kept
          QD2   LEU   73 - HZ3   TRP   27   4.66 +/- 0.10   0.793% *  0.3461% (0.49   0.02  36.46) =   0.003%
          HG    LEU   31 - HZ3   TRP   27   5.86 +/- 0.18   0.194% *  0.4599% (0.65   0.02  17.19) =   0.001%
          QG1   VAL   41 - HZ3   TRP   27   6.94 +/- 0.79   0.080% *  0.7094% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HZ3   TRP   27   8.42 +/- 0.90   0.026% *  0.5163% (0.73   0.02   0.02) =   0.000%
          QG2   THR   46 - HZ3   TRP   27   8.28 +/- 0.62   0.027% *  0.4312% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HZ3   TRP   27   8.33 +/- 0.26   0.025% *  0.1977% (0.28   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  12.02 +/- 0.23   0.003% *  0.1773% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  12.32 +/- 1.05   0.002% *  0.1245% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.896, support = 2.92, residual support = 36.4:
        T QD1   LEU   73 - HZ3   TRP   27   3.16 +/- 0.22  81.388% * 97.2399% (0.90   2.92  36.46) =  99.954%  kept
          QG2   VAL   41 - HZ3   TRP   27   4.46 +/- 0.70  15.416% *  0.2063% (0.28   0.02   0.02) =   0.040%
          QD2   LEU   98 - HZ3   TRP   27   5.96 +/- 1.10   2.894% *  0.1145% (0.15   0.02   0.02) =   0.004%
          QD2   LEU   80 - HZ3   TRP   27   9.76 +/- 0.70   0.112% *  0.3904% (0.53   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HZ3   TRP   27  10.49 +/- 0.36   0.065% *  0.6655% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   63 - HZ3   TRP   27  12.08 +/- 0.49   0.028% *  0.6198% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   80 - HZ3   TRP   27  11.40 +/- 1.34   0.060% *  0.1145% (0.15   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HZ3   TRP   27  12.05 +/- 0.83   0.027% *  0.2290% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  14.75 +/- 0.43   0.009% *  0.4201% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 1.97, residual support = 17.2:
        T QD2   LEU   31 - HZ3   TRP   27   3.75 +/- 0.09  99.795% * 97.5772% (0.76   1.97  17.19) =  99.997%  kept
          QG2   VAL   83 - HZ3   TRP   27  11.86 +/- 0.82   0.112% *  1.2961% (1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HZ3   TRP   27  12.56 +/- 1.34   0.092% *  1.1268% (0.87   0.02   0.02) =   0.001%
    Distance limit 5.50 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 = 0.764, support = 1.97, residual support = 17.2:
          QD2   LEU   31 - HH2   TRP   27   3.77 +/- 0.11  99.729% * 97.5772% (0.76   1.97  17.19) =  99.997%  kept
          QG2   VAL   83 - HH2   TRP   27  11.35 +/- 0.95   0.158% *  1.2961% (1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HH2   TRP   27  12.17 +/- 1.40   0.113% *  1.1268% (0.87   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.997, support = 2.92, residual support = 36.4:
          QD1   LEU   73 - HH2   TRP   27   4.24 +/- 0.20  47.226% * 97.3398% (1.00   2.92  36.46) =  99.890%  kept
          QG2   VAL   41 - HH2   TRP   27   4.15 +/- 0.60  52.014% *  0.0903% (0.14   0.02   0.02) =   0.102%
          QD2   LEU   80 - HH2   TRP   27  10.19 +/- 0.68   0.283% *  0.5102% (0.76   0.02   0.02) =   0.003%
          QD1   LEU   63 - HH2   TRP   27  11.09 +/- 0.34   0.155% *  0.6661% (1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HH2   TRP   27  11.41 +/- 0.83   0.123% *  0.3512% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   63 - HH2   TRP   27  12.63 +/- 0.53   0.070% *  0.4049% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HH2   TRP   27  15.23 +/- 0.45   0.023% *  0.5345% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HH2   TRP   27  12.10 +/- 1.04   0.107% *  0.1030% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.32, residual support = 95.9:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99   1.32  95.94) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (7.62, 6.75, 114.38 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 2.55, residual support = 49.3:
          HD21  ASN   28 - HZ2   TRP   27   4.79 +/- 0.07  98.735% * 98.1449% (0.87   2.55  49.28) =  99.992%  kept
          QE    PHE   60 - HZ2   TRP   27  10.09 +/- 0.28   1.141% *  0.6092% (0.69   0.02   0.02) =   0.007%
          HZ2   TRP   87 - HZ2   TRP   27  16.48 +/- 1.27   0.068% *  0.8694% (0.98   0.02   0.02) =   0.001%
          HN    LEU   63 - HZ2   TRP   27  17.93 +/- 0.24   0.036% *  0.2212% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  19.72 +/- 0.51   0.021% *  0.1553% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.49, residual support = 95.9:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90   1.49  95.94) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 0.02, residual support = 0.02:
          HE1   TRP   87 - HZ2   TRP   27  15.45 +/- 0.93 100.000% *100.0000% (0.92   0.02   0.02) = 100.000%  kept
    Distance limit 5.50 A violated in 20 structures by 9.95 A, eliminated.
    Peak unassigned.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.535, support = 3.75, residual support = 16.2:
        T QD2   LEU   31 - HZ2   TRP   27   3.42 +/- 0.19  71.442% * 75.0537% (0.49   4.15  17.19) =  88.272%  kept
        T QG2   VAL   43 - HZ2   TRP   27   4.00 +/- 0.15  28.558% * 24.9463% (0.90   0.75   9.13) =  11.728%  kept
    Distance limit 5.50 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 = 0.89, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - QD    PHE   45   7.17 +/- 0.94  47.167% * 34.1913% (0.90   0.02   0.02) =  48.178%  kept
          QG2   VAL   83 - QD    PHE   45   8.00 +/- 0.67  26.058% * 38.1246% (1.00   0.02   0.02) =  29.679%  kept
          QD2   LEU   31 - QD    PHE   45   7.82 +/- 0.28  26.775% * 27.6841% (0.73   0.02   0.02) =  22.144%  kept
    Distance limit 5.50 A violated in 17 structures by 0.73 A, eliminated.
    Peak unassigned.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.829, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QE    PHE   45   6.50 +/- 0.32  51.121% * 23.7688% (0.61   0.02   0.02) =  39.456%  kept
          QG2   VAL   83 - QE    PHE   45   7.42 +/- 0.77  26.844% * 38.4121% (0.98   0.02   0.02) =  33.483%  kept
          QD1   ILE   89 - QE    PHE   45   7.70 +/- 0.97  22.035% * 37.8192% (0.97   0.02   0.02) =  27.061%  kept
    Distance limit 5.50 A violated in 16 structures by 0.29 A, eliminated.
    Peak unassigned.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.1:
        T QG1   VAL   75 - QD    PHE   45   2.55 +/- 0.23  99.978% * 99.3501% (1.00   2.96  17.13) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45  10.64 +/- 0.45   0.022% *  0.6499% (0.97   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.0, residual support = 17.1:
        T HB    VAL   75 - QD    PHE   45   3.33 +/- 0.19  99.025% * 97.4515% (0.99   2.00  17.13) =  99.995%  kept
          QG2   ILE  103 - QD    PHE   45   8.97 +/- 0.33   0.283% *  0.4786% (0.49   0.02   0.02) =   0.001%
          HG3   LYS+  74 - QD    PHE   45   8.54 +/- 0.17   0.364% *  0.3690% (0.38   0.02   0.02) =   0.001%
          QD2   LEU   40 - QD    PHE   45   9.67 +/- 0.23   0.176% *  0.6361% (0.65   0.02   0.02) =   0.001%
          QD1   LEU   67 - QD    PHE   45  11.19 +/- 0.22   0.074% *  0.5964% (0.61   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45  12.34 +/- 0.41   0.042% *  0.3354% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.57 +/- 0.21   0.036% *  0.1331% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 2.72, residual support = 11.0:
        T QG2   THR   77 - QD    PHE   45   2.90 +/- 0.24  98.322% * 94.8732% (0.65   2.72  11.00) =  99.995%  kept
        T HB3   ASP-  44 - QD    PHE   45   6.31 +/- 0.18   1.066% *  0.2130% (0.20   0.02  12.38) =   0.002%
          HB3   LEU   80 - QD    PHE   45   7.60 +/- 0.95   0.502% *  0.4040% (0.38   0.02   0.02) =   0.002%
          QB    ALA   88 - QD    PHE   45  11.74 +/- 0.38   0.026% *  1.0389% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  11.72 +/- 0.80   0.026% *  0.6530% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  11.81 +/- 0.37   0.024% *  0.5664% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    PHE   45  11.50 +/- 0.25   0.028% *  0.2993% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  16.04 +/- 0.35   0.004% *  0.9338% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  19.16 +/- 0.62   0.001% *  1.0184% (0.95   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 0.75, residual support = 27.2:
          QG2   THR   94 - QD    PHE   45   3.22 +/- 0.42  99.711% * 89.7232% (0.80   0.75  27.23) =  99.996%  kept
          HG12  ILE   89 - QD    PHE   45   9.74 +/- 0.70   0.199% *  0.9222% (0.31   0.02   0.02) =   0.002%
          HB3   LEU   71 - QD    PHE   45  13.54 +/- 0.73   0.024% *  2.9616% (0.99   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD    PHE   45  12.01 +/- 0.74   0.046% *  1.1214% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD    PHE   45  15.48 +/- 0.99   0.011% *  2.9880% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD    PHE   45  15.66 +/- 0.53   0.009% *  2.2835% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 2.31, residual support = 17.1:
        T QG1   VAL   75 - QE    PHE   45   2.50 +/- 0.25  99.991% * 99.3041% (0.90   2.31  17.13) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  12.18 +/- 0.39   0.009% *  0.6959% (0.73   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.374, support = 0.0199, residual support = 0.0199:
          HB    VAL   43 - QE    PHE   45   3.05 +/- 0.25  99.670% * 19.2917% (0.38   0.02   0.02) =  99.660%  kept
          HB    ILE   89 - QE    PHE   45   9.23 +/- 0.60   0.154% * 31.1768% (0.61   0.02   0.02) =   0.249%
          QG1   ILE   56 - QE    PHE   45   9.53 +/- 0.18   0.118% *  7.9310% (0.15   0.02   0.02) =   0.049%
          QD    LYS+  81 - QE    PHE   45  12.29 +/- 0.86   0.027% * 15.8650% (0.31   0.02   0.02) =   0.022%
          HB2   LYS+  99 - QE    PHE   45  13.67 +/- 0.35   0.014% * 14.2916% (0.28   0.02   0.02) =   0.010%
          HB3   LYS+  99 - QE    PHE   45  13.18 +/- 0.43   0.017% * 11.4438% (0.22   0.02   0.02) =   0.010%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 9.85:
          HB3   MET   96 - QE    PHE   45   3.57 +/- 0.17  99.879% * 93.6219% (0.45   2.00   9.85) =  99.998%  kept
          HB    VAL   18 - QE    PHE   45  12.75 +/- 0.69   0.054% *  1.4344% (0.69   0.02   0.02) =   0.001%
          HB2   LEU   40 - QE    PHE   45  13.93 +/- 0.27   0.029% *  1.7442% (0.84   0.02   0.02) =   0.001%
          HB2   LEU   67 - QE    PHE   45  14.45 +/- 0.29   0.024% *  0.8585% (0.41   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QE    PHE   45  16.64 +/- 0.34   0.010% *  1.9277% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QE    PHE   45  20.01 +/- 2.02   0.004% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.222, support = 1.98, residual support = 9.84:
        T HB2   MET   96 - QE    PHE   45   3.74 +/- 0.11  97.971% * 80.8410% (0.22   1.98   9.85) =  99.931%  kept
          HG3   MET   92 - QE    PHE   45   9.84 +/- 1.85   0.646% *  3.5439% (0.97   0.02   0.02) =   0.029%
          HB3   ASP-  76 - QE    PHE   45   8.39 +/- 0.45   0.846% *  2.6666% (0.73   0.02   0.02) =   0.028%
          HB2   ASP- 105 - QE    PHE   45  11.51 +/- 0.37   0.119% *  3.3899% (0.92   0.02   0.02) =   0.005%
          HB2   GLU-  29 - QE    PHE   45  12.82 +/- 0.26   0.061% *  3.2933% (0.90   0.02   0.02) =   0.003%
        T HB3   PHE   72 - QE    PHE   45  10.60 +/- 0.60   0.206% *  0.6431% (0.18   0.02   0.02) =   0.002%
          QG    GLN   90 - QE    PHE   45  11.82 +/- 0.55   0.104% *  0.8176% (0.22   0.02   0.02) =   0.001%
          HG12  ILE  119 - QE    PHE   45  14.80 +/- 0.45   0.026% *  1.9320% (0.53   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    PHE   45  16.79 +/- 0.92   0.013% *  2.3756% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  18.46 +/- 1.44   0.008% *  0.4970% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 77.0:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  98.892% * 97.4552% (0.53   1.00  77.07) =  99.971%  kept
          HZ3   TRP   27 - QE    PHE   45   4.65 +/- 0.23   1.108% *  2.5448% (0.69   0.02   0.02) =   0.029%
    Distance limit 5.50 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 = 3.21, residual support = 77.1:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.998% * 98.1480% (0.65   3.21  77.07) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  14.62 +/- 0.34   0.001% *  0.8465% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  20.85 +/- 0.28   0.000% *  0.8187% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  19.19 +/- 1.04   0.000% *  0.1868% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.801, support = 2.0, residual support = 9.85:
          HB3   MET   96 - QD    PHE   45   4.08 +/- 0.19  99.658% * 96.5080% (0.80   2.00   9.85) =  99.998%  kept
          HB    VAL   18 - QD    PHE   45  12.02 +/- 0.68   0.173% *  0.4111% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD    PHE   45  14.58 +/- 0.30   0.050% *  1.2052% (1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD    PHE   45  14.48 +/- 0.36   0.052% *  0.7310% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD    PHE   45  14.20 +/- 0.36   0.059% *  0.1860% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD    PHE   45  20.31 +/- 2.02   0.009% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  28.01 +/- 2.28   0.001% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.866, support = 2.0, residual support = 9.84:
          HB2   MET   96 - QD    PHE   45   4.64 +/- 0.07  86.381% * 95.2702% (0.87   2.00   9.85) =  99.884%  kept
          HB3   ASP-  76 - QD    PHE   45   7.14 +/- 0.33   6.681% *  1.0139% (0.92   0.02   0.02) =   0.082%
          HG3   MET   92 - QD    PHE   45   8.29 +/- 1.63   6.015% *  0.3746% (0.34   0.02   0.02) =   0.027%
          HB2   ASP- 105 - QD    PHE   45  11.27 +/- 0.35   0.427% *  0.7975% (0.73   0.02   0.02) =   0.004%
          HB    VAL   70 - QD    PHE   45  13.96 +/- 0.43   0.118% *  0.4924% (0.45   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QD    PHE   45  13.27 +/- 0.44   0.161% *  0.3054% (0.28   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    PHE   45  14.92 +/- 0.87   0.086% *  0.4122% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   45  14.18 +/- 0.19   0.106% *  0.2739% (0.25   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QD    PHE   45  18.15 +/- 0.86   0.026% *  1.0599% (0.97   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.61, residual support = 77.1:
      O T HB3   PHE   45 - QD    PHE   45   2.51 +/- 0.05  99.849% * 98.1629% (0.80   4.61  77.07) = 100.000%  kept
          HB    VAL  107 - QD    PHE   45   7.68 +/- 0.69   0.137% *  0.1995% (0.38   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  12.50 +/- 0.61   0.007% *  0.4255% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QD    PHE   45  14.13 +/- 0.72   0.003% *  0.4610% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  15.58 +/- 0.26   0.002% *  0.5129% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  15.24 +/- 0.26   0.002% *  0.2383% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.91, residual support = 77.1:
      O T HB2   PHE   45 - QD    PHE   45   2.32 +/- 0.03  99.943% * 99.1991% (0.97   3.91  77.07) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   8.21 +/- 0.29   0.053% *  0.2765% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  12.50 +/- 0.58   0.004% *  0.5244% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.2:
          HB    THR   94 - QD    PHE   45   3.19 +/- 0.31  99.662% * 93.8952% (0.69   2.96  27.23) =  99.998%  kept
          QB    SER   48 - QD    PHE   45   9.45 +/- 0.31   0.171% *  0.7403% (0.80   0.02   0.02) =   0.001%
          QB    SER   85 - QD    PHE   45  12.34 +/- 0.48   0.035% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    PHE   45  11.53 +/- 0.67   0.051% *  0.2853% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   45  13.92 +/- 0.46   0.016% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  16.54 +/- 0.19   0.006% *  0.8291% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    PHE   45  13.01 +/- 0.45   0.027% *  0.1426% (0.15   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  14.52 +/- 0.42   0.012% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  18.32 +/- 0.42   0.003% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  18.45 +/- 0.38   0.003% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.55 +/- 0.23   0.004% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  15.32 +/- 0.46   0.010% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.338, support = 3.65, residual support = 12.3:
          HA    ASP-  44 - QD    PHE   45   4.29 +/- 0.17  74.055% * 81.0250% (0.34   3.81  12.38) =  94.774%  kept
          HB    THR   77 - QD    PHE   45   5.15 +/- 0.27  25.421% * 13.0071% (0.28   0.75  11.00) =   5.223%  kept
          HA    LEU  104 - QD    PHE   45  14.07 +/- 0.14   0.060% *  1.0420% (0.84   0.02   0.02) =   0.001%
          HA    ILE  103 - QD    PHE   45  11.41 +/- 0.20   0.212% *  0.2469% (0.20   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD    PHE   45  14.93 +/- 0.40   0.042% *  1.2228% (0.98   0.02   0.02) =   0.001%
          HA    SER   85 - QD    PHE   45  13.05 +/- 0.28   0.094% *  0.3469% (0.28   0.02   0.02) =   0.001%
          HA    TRP   87 - QD    PHE   45  12.87 +/- 0.49   0.106% *  0.1925% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  20.50 +/- 1.49   0.007% *  1.2447% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  25.34 +/- 2.36   0.002% *  1.2039% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  28.00 +/- 2.18   0.001% *  0.4682% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.61, residual support = 77.1:
          HA    PHE   45 - QD    PHE   45   2.72 +/- 0.12  99.746% * 96.5585% (0.25   4.61  77.07) =  99.999%  kept
          HA    MET   92 - QD    PHE   45   7.65 +/- 0.50   0.226% *  0.4186% (0.25   0.02   0.02) =   0.001%
          HA    VAL   41 - QD    PHE   45  10.83 +/- 0.14   0.026% *  1.3442% (0.80   0.02   0.02) =   0.000%
          HA    HIS  122 - QD    PHE   45  16.91 +/- 0.29   0.002% *  1.6787% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.91, residual support = 77.1:
          HN    PHE   45 - QD    PHE   45   2.68 +/- 0.15  97.687% * 98.5473% (0.45   4.91  77.07) =  99.990%  kept
          HN    ASP-  44 - QD    PHE   45   5.07 +/- 0.15   2.231% *  0.4015% (0.45   0.02  12.38) =   0.009%
          HN    ALA  110 - QD    PHE   45   9.27 +/- 0.35   0.060% *  0.6152% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  11.03 +/- 0.30   0.021% *  0.4359% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 77.1:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.995% * 97.6566% (0.98   1.00  77.07) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  11.27 +/- 0.22   0.005% *  1.7284% (0.87   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  20.51 +/- 0.91   0.000% *  0.6150% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.491, support = 4.71, residual support = 70.5:
          HN    TRP   49 - HD1   TRP   49   2.70 +/- 0.49  89.217% * 33.6559% (0.38   4.95  86.62) =  80.824%  kept
          HN    CYS   50 - HD1   TRP   49   4.68 +/- 0.62  10.774% * 66.1242% (0.98   3.72   2.77) =  19.176%  kept
          HN    VAL   83 - HD1   TRP   49  13.37 +/- 1.81   0.010% *  0.2199% (0.61   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 2.29, residual support = 86.6:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84   2.29  86.62) = 100.000%  kept
    Distance limit 5.50 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 = 86.6:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 98.0741% (0.41   1.00  86.62) = 100.000%  kept
          HE21  GLN   30 - HZ2   TRP   49  22.06 +/- 1.08   0.000% *  1.1897% (0.25   0.02   0.02) =   0.000%
          QD    PHE   97 - HZ2   TRP   49  20.42 +/- 0.64   0.000% *  0.7362% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 86.6:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53   1.00  86.62) = 100.000%  kept
    Distance limit 5.50 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 = 86.6:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 98.7227% (1.00   1.00  86.62) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  27.97 +/- 1.34   0.000% *  1.2773% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.842, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HZ    PHE   45   6.49 +/- 0.44  72.355% * 30.4792% (0.80   0.02   0.02) =  69.323%  kept
          QG2   VAL   83 - HZ    PHE   45   8.67 +/- 1.03  16.344% * 37.7271% (0.99   0.02   0.02) =  19.383%  kept
          QD1   ILE   89 - HZ    PHE   45   9.13 +/- 1.02  11.301% * 31.7937% (0.84   0.02   0.02) =  11.295%  kept
    Distance limit 5.50 A violated in 20 structures by 0.64 A, eliminated.
    Peak unassigned.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.64, residual support = 86.6:
      O T HB2   TRP   49 - HD1   TRP   49   3.86 +/- 0.05  99.638% * 98.1090% (0.65   4.64  86.62) =  99.999%  kept
          HA    ALA   84 - HD1   TRP   49  11.46 +/- 1.43   0.203% *  0.2930% (0.45   0.02   0.02) =   0.001%
          HA    VAL   75 - HD1   TRP   49  12.27 +/- 0.95   0.111% *  0.3700% (0.57   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  16.07 +/- 1.27   0.024% *  0.1817% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  16.62 +/- 1.56   0.021% *  0.2017% (0.31   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  24.86 +/- 1.32   0.002% *  0.4746% (0.73   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  26.36 +/- 1.28   0.001% *  0.3700% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.64, residual support = 86.6:
      O T HB3   TRP   49 - HD1   TRP   49   2.79 +/- 0.11  99.998% * 99.6523% (0.90   4.64  86.62) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  17.89 +/- 1.37   0.002% *  0.3477% (0.73   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.69, residual support = 15.5:
          QB    ALA   47 - HD1   TRP   49   3.62 +/- 0.26  99.975% * 98.6415% (0.84   2.69  15.46) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  16.71 +/- 0.72   0.011% *  0.6365% (0.73   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  17.21 +/- 0.75   0.009% *  0.3930% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  19.03 +/- 1.96   0.005% *  0.3290% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 1.5:
          HB3   GLN   90 - HZ2   TRP   49   3.29 +/- 0.89  98.554% * 70.2071% (0.45   0.75   1.50) =  99.964%  kept
          QB    LYS+  81 - HZ2   TRP   49   8.53 +/- 1.33   1.325% *  1.5673% (0.38   0.02   0.02) =   0.030%
          HB3   PRO   52 - HZ2   TRP   49  12.01 +/- 1.29   0.078% *  3.6223% (0.87   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HZ2   TRP   49  14.10 +/- 0.94   0.029% *  2.8685% (0.69   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HZ2   TRP   49  19.05 +/- 0.65   0.006% *  1.4244% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   49  23.83 +/- 0.87   0.002% *  2.7014% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  24.41 +/- 0.92   0.001% *  2.5328% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  25.93 +/- 0.96   0.001% *  3.0323% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  24.69 +/- 0.84   0.001% *  1.8722% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  25.42 +/- 0.81   0.001% *  2.1970% (0.53   0.02   0.02) =   0.000%
        T HG    LEU  123 - HZ2   TRP   49  29.87 +/- 0.70   0.000% *  3.6223% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  24.89 +/- 0.55   0.001% *  1.1611% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  32.52 +/- 0.52   0.000% *  3.1913% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.14, residual support = 15.5:
          QB    ALA   47 - HZ2   TRP   49   3.94 +/- 0.24  99.966% * 98.1061% (0.69   2.14  15.46) = 100.000%  kept
          QG1   VAL   42 - HZ2   TRP   49  17.16 +/- 0.62   0.015% *  0.7540% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  18.77 +/- 0.45   0.009% *  0.8078% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HZ2   TRP   49  18.67 +/- 1.10   0.010% *  0.3321% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.728, support = 0.0198, residual support = 0.0198:
          HG2   MET   92 - HH2   TRP   49   8.83 +/- 1.69  48.438% * 17.1211% (0.87   0.02   0.02) =  66.419%  kept
          HG2   PRO   52 - HH2   TRP   49   9.05 +/- 1.78  40.251% *  6.7327% (0.34   0.02   0.02) =  21.704%  kept
          HB2   GLU-  79 - HH2   TRP   49  12.73 +/- 0.98   9.336% * 14.3325% (0.73   0.02   0.02) =  10.717%  kept
          QG    GLU- 114 - HH2   TRP   49  18.08 +/- 1.38   0.584% * 15.8047% (0.80   0.02   0.02) =   0.739%
          HB2   ASP-  44 - HH2   TRP   49  16.63 +/- 0.90   1.118% *  3.4567% (0.18   0.02   0.02) =   0.310%
          HG3   GLU-  25 - HH2   TRP   49  24.28 +/- 1.15   0.152% *  3.9061% (0.20   0.02   0.02) =   0.047%
          QG    GLU-  15 - HH2   TRP   49  28.00 +/- 1.11   0.052% *  4.9216% (0.25   0.02   0.02) =   0.021%
          HG3   GLU-  36 - HH2   TRP   49  35.26 +/- 0.83   0.013% * 17.1211% (0.87   0.02   0.02) =   0.018%
          QB    MET   11 - HH2   TRP   49  36.22 +/- 2.57   0.013% * 13.5580% (0.69   0.02   0.02) =   0.014%
          QG    GLU-  14 - HH2   TRP   49  29.32 +/- 1.66   0.043% *  3.0454% (0.15   0.02   0.02) =   0.010%
    Distance limit 5.50 A violated in 19 structures by 2.09 A, eliminated.
    Peak unassigned.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 1.5:
          HB3   GLN   90 - HH2   TRP   49   3.32 +/- 0.71  99.432% * 70.2071% (0.45   0.75   1.50) =  99.981%  kept
          HB3   PRO   52 - HH2   TRP   49  11.24 +/- 1.65   0.204% *  3.6223% (0.87   0.02   0.02) =   0.011%
          QB    LYS+  81 - HH2   TRP   49  10.00 +/- 1.46   0.319% *  1.5673% (0.38   0.02   0.02) =   0.007%
          HG2   ARG+  54 - HH2   TRP   49  13.96 +/- 1.04   0.035% *  2.8685% (0.69   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HH2   TRP   49  19.41 +/- 1.11   0.004% *  1.4244% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  24.22 +/- 1.32   0.001% *  2.7014% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  25.17 +/- 1.17   0.001% *  2.5328% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  26.56 +/- 1.26   0.001% *  3.0323% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  25.79 +/- 1.01   0.001% *  1.8722% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  26.67 +/- 0.81   0.001% *  2.1970% (0.53   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  29.90 +/- 1.18   0.000% *  3.6223% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  25.22 +/- 0.98   0.001% *  1.1611% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  33.22 +/- 0.87   0.000% *  3.1913% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.249, support = 2.39, residual support = 20.4:
      O   QB    PHE   55 - QD    PHE   55   2.17 +/- 0.03  99.683% * 94.3490% (0.25   2.39  20.36) =  99.994%  kept
          HD2   ARG+  54 - QD    PHE   55   6.07 +/- 0.62   0.264% *  1.9230% (0.61   0.02   2.63) =   0.005%
          HB3   CYS   53 - QD    PHE   55   8.14 +/- 0.12   0.036% *  1.6680% (0.53   0.02   0.02) =   0.001%
          HD3   PRO   93 - QD    PHE   55   9.49 +/- 0.70   0.016% *  1.0815% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  20.29 +/- 0.61   0.000% *  0.9786% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.835, support = 1.69, residual support = 20.4:
          HA    PHE   55 - QD    PHE   55   2.36 +/- 0.37  99.751% * 96.2227% (0.84   1.69  20.36) =  99.997%  kept
          HA    ALA  110 - QD    PHE   55   6.70 +/- 0.54   0.238% *  1.3577% (1.00   0.02   0.45) =   0.003%
          HA    VAL  107 - QD    PHE   55  13.07 +/- 0.39   0.005% *  0.4642% (0.34   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  16.05 +/- 0.83   0.002% *  1.3132% (0.97   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  13.37 +/- 0.71   0.004% *  0.3029% (0.22   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  17.18 +/- 0.39   0.001% *  0.3393% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.799, support = 0.463, residual support = 0.447:
          QB    ALA  110 - QD    PHE   55   4.46 +/- 0.61  93.899% * 71.2706% (0.80   0.46   0.45) =  99.818%  kept
          QB    ALA   61 - QD    PHE   55   8.99 +/- 0.22   1.813% *  3.7058% (0.97   0.02   0.02) =   0.100%
          HB3   LEU  115 - QD    PHE   55   7.99 +/- 0.41   3.944% *  1.1852% (0.31   0.02   0.02) =   0.070%
        T QG    LYS+  66 - QD    PHE   55  13.72 +/- 0.67   0.147% *  3.6324% (0.95   0.02   0.02) =   0.008%
          HB3   LEU   67 - QD    PHE   55  18.65 +/- 0.56   0.023% *  3.8400% (1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   55  20.44 +/- 0.28   0.013% *  3.0748% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD    PHE   55  17.10 +/- 1.08   0.044% *  0.7599% (0.20   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD    PHE   55  16.53 +/- 0.33   0.046% *  0.6725% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   55  21.32 +/- 0.39   0.010% *  2.7884% (0.73   0.02   0.02) =   0.000%
        T HG    LEU   67 - QD    PHE   55  17.71 +/- 1.00   0.032% *  0.8549% (0.22   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   55  22.88 +/- 1.13   0.006% *  3.2074% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   55  20.40 +/- 0.59   0.013% *  1.1852% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   55  22.05 +/- 0.52   0.008% *  1.1852% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  27.07 +/- 1.06   0.002% *  2.6377% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.852, support = 0.0194, residual support = 0.0194:
          QD2   LEU  115 - QD    PHE   55   6.49 +/- 0.51  87.580% * 17.2492% (0.87   0.02   0.02) =  88.068%  kept
          QD1   LEU   63 - QD    PHE   55   9.79 +/- 0.45   7.674% * 19.8413% (1.00   0.02   0.02) =   8.876%  kept
          QD2   LEU   63 - QD    PHE   55  11.12 +/- 0.85   4.073% * 10.4622% (0.53   0.02   0.02) =   2.484%
          QD1   LEU   73 - QD    PHE   55  17.73 +/- 0.22   0.225% * 19.8413% (1.00   0.02   0.02) =   0.260%
        T QD2   LEU   80 - QD    PHE   55  19.03 +/- 1.02   0.161% * 16.6097% (0.84   0.02   0.02) =   0.156%
          QD1   LEU  104 - QD    PHE   55  18.26 +/- 0.47   0.188% * 12.0611% (0.61   0.02   0.02) =   0.132%
          QG1   VAL   83 - QD    PHE   55  20.59 +/- 0.67   0.098% *  3.9353% (0.20   0.02   0.02) =   0.023%
    Distance limit 5.50 A violated in 19 structures by 0.89 A, eliminated.
    Peak unassigned.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   5.05 +/- 0.22  99.873% * 72.5341% (0.99   0.02   0.02) =  99.952%  kept
          HB3   TRP   49 - QE    PHE   95  15.47 +/- 0.48   0.127% * 27.4659% (0.38   0.02   0.02) =   0.048%
    Distance limit 5.50 A violated in 0 structures by 0.01 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.277, support = 2.85, residual support = 41.0:
          HB    VAL  107 - QE    PHE   95   3.85 +/- 0.30  88.047% * 90.6870% (0.28   2.86  41.09) =  99.771%  kept
        T QE    LYS+ 112 - QE    PHE   95   5.70 +/- 0.35   9.421% *  1.5673% (0.69   0.02   0.02) =   0.184%
          HB3   PHE   45 - QE    PHE   95   7.44 +/- 0.36   1.906% *  1.5673% (0.69   0.02   1.89) =   0.037%
        T HB3   ASP-  62 - QE    PHE   95   9.96 +/- 0.40   0.332% *  1.2918% (0.57   0.02   0.02) =   0.005%
          HG3   MET   96 - QE    PHE   95  10.17 +/- 0.24   0.288% *  0.4515% (0.20   0.02  11.99) =   0.002%
          HB3   ASP-  86 - QE    PHE   95  20.93 +/- 1.07   0.004% *  2.1584% (0.95   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   95  22.81 +/- 0.61   0.002% *  2.2766% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.526, support = 0.75, residual support = 1.29:
          QG1   ILE   56 - QE    PHE   95   1.99 +/- 0.08  99.444% * 77.1944% (0.53   0.75   1.29) =  99.986%  kept
          HG3   PRO   93 - QE    PHE   95   5.06 +/- 0.23   0.408% *  1.4685% (0.38   0.02   0.14) =   0.008%
          HB3   MET   92 - QE    PHE   95   7.25 +/- 1.03   0.068% *  3.1330% (0.80   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - QE    PHE   95   6.92 +/- 0.51   0.065% *  2.6876% (0.69   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QE    PHE   95   9.44 +/- 0.75   0.010% *  3.9039% (1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QE    PHE   95  12.36 +/- 0.31   0.002% *  3.6118% (0.92   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    PHE   95  14.79 +/- 0.35   0.001% *  3.9126% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    PHE   95  12.94 +/- 0.28   0.001% *  1.6085% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    PHE   95  15.25 +/- 0.31   0.001% *  1.6085% (0.41   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    PHE   95  16.66 +/- 0.71   0.000% *  0.8711% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 41.1:
          QG2   VAL  107 - QE    PHE   95   2.22 +/- 0.23  99.083% * 97.1636% (0.69   2.31  41.09) =  99.996%  kept
          QG2   THR   94 - QE    PHE   95   5.18 +/- 0.16   0.716% *  0.4176% (0.34   0.02  14.32) =   0.003%
          HB3   LYS+ 112 - QE    PHE   95   6.99 +/- 0.47   0.188% *  0.4595% (0.38   0.02   0.02) =   0.001%
          HG13  ILE  103 - QE    PHE   95  12.12 +/- 0.24   0.004% *  1.2216% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QE    PHE   95  11.45 +/- 0.37   0.006% *  0.5489% (0.45   0.02   0.02) =   0.000%
        T QB    ALA   20 - QE    PHE   95  12.99 +/- 0.39   0.003% *  0.1889% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.88, support = 2.21, residual support = 6.24:
          QD2   LEU  115 - QE    PHE   95   4.23 +/- 0.14  75.397% * 68.6904% (0.87   2.37   6.81) =  89.863%  kept
          QD1   LEU   63 - QE    PHE   95   5.36 +/- 0.40  19.956% * 29.1913% (1.00   0.87   1.25) =  10.108%  kept
          QD2   LEU   63 - QE    PHE   95   7.07 +/- 0.64   4.321% *  0.3523% (0.53   0.02   1.25) =   0.026%
          QD1   LEU   73 - QE    PHE   95  12.39 +/- 0.22   0.119% *  0.6681% (1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QE    PHE   95  12.16 +/- 0.36   0.135% *  0.4061% (0.61   0.02   0.02) =   0.001%
        T QD2   LEU   80 - QE    PHE   95  14.86 +/- 1.17   0.047% *  0.5593% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   95  16.14 +/- 0.94   0.026% *  0.1325% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 1.5, residual support = 6.81:
        T QD1   LEU  115 - QE    PHE   95   3.29 +/- 0.20  99.639% * 97.1001% (0.34   1.50   6.81) =  99.995%  kept
          QB    ALA   64 - QE    PHE   95   9.48 +/- 0.37   0.182% *  2.1488% (0.57   0.02   0.02) =   0.004%
          QG1   VAL   75 - QE    PHE   95   9.86 +/- 0.93   0.178% *  0.7511% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.08, residual support = 69.5:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  99.459% * 96.2172% (0.84   1.08  69.47) =  99.998%  kept
          HN    LEU   63 - QD    PHE   60   5.34 +/- 0.16   0.540% *  0.3284% (0.15   0.02  10.44) =   0.002%
          HD21  ASN   28 - QD    PHE   60  15.01 +/- 0.27   0.001% *  1.5456% (0.73   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  21.52 +/- 0.51   0.000% *  1.9089% (0.90   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.64, residual support = 69.5:
      O T HB3   PHE   60 - QD    PHE   60   2.39 +/- 0.04  99.920% * 98.4954% (0.73   3.64  69.47) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   9.27 +/- 0.58   0.031% *  0.1305% (0.18   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60   9.12 +/- 0.31   0.033% *  0.1150% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.19 +/- 0.64   0.006% *  0.3921% (0.53   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  11.35 +/- 0.37   0.009% *  0.1009% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  16.48 +/- 0.52   0.001% *  0.5119% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  21.52 +/- 0.52   0.000% *  0.2542% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.991, support = 0.987, residual support = 4.6:
          QD1   ILE   56 - QD    PHE   60   3.51 +/- 0.19  98.431% * 95.3529% (0.99   0.99   4.60) =  99.977%  kept
          QD2   LEU   73 - QD    PHE   60   7.39 +/- 0.29   1.217% *  1.6280% (0.84   0.02   0.59) =   0.021%
        T QG1   VAL   41 - QD    PHE   60   9.57 +/- 0.25   0.253% *  0.3413% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD    PHE   60  12.42 +/- 0.48   0.054% *  1.3389% (0.69   0.02   0.02) =   0.001%
          HG    LEU   31 - QD    PHE   60  12.92 +/- 0.79   0.045% *  1.3389% (0.69   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 0.781, residual support = 0.781:
          QB    ALA   64 - QD    PHE   60   3.64 +/- 0.11 100.000% *100.0000% (0.95   0.78   0.78) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.09, residual support = 62.6:
          HN    PHE   97 - QD    PHE   97   2.85 +/- 0.21  99.915% * 99.3265% (0.97   4.09  62.58) = 100.000%  kept
          HN    LEU  115 - QD    PHE   97   9.73 +/- 0.62   0.073% *  0.4857% (0.97   0.02   0.02) =   0.000%
          HN    ASP- 113 - QD    PHE   97  13.02 +/- 0.54   0.012% *  0.0996% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  23.33 +/- 1.61   0.000% *  0.0881% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.655, support = 0.0194, residual support = 0.0194:
          HA    THR  118 - QD    PHE   97   7.01 +/- 0.49  58.534% * 16.5844% (0.61   0.02   0.02) =  54.669%  kept
          HA    ILE  119 - QD    PHE   97   7.61 +/- 0.29  36.016% * 20.8964% (0.76   0.02   0.02) =  42.384%  kept
          HA2   GLY  109 - QD    PHE   97  11.89 +/- 0.18   2.491% *  8.4394% (0.31   0.02   0.02) =   1.184%
          HA    VAL   75 - QD    PHE   97  13.69 +/- 0.35   1.086% * 14.3858% (0.53   0.02   0.02) =   0.880%
          HD3   PRO   58 - QD    PHE   97  12.72 +/- 0.28   1.679% *  7.6024% (0.28   0.02   0.02) =   0.719%
          HA    ALA   84 - QD    PHE   97  19.50 +/- 0.50   0.130% * 13.3093% (0.49   0.02   0.02) =   0.097%
          HB2   TRP   49 - QD    PHE   97  21.87 +/- 0.33   0.064% * 18.7822% (0.69   0.02   0.02) =   0.068%
    Distance limit 5.50 A violated in 20 structures by 0.95 A, eliminated.
    Peak unassigned.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 62.6:
      O T HB2   PHE   97 - QD    PHE   97   2.50 +/- 0.05  99.323% * 97.4912% (0.90   2.44  62.58) =  99.997%  kept
          QE    LYS+ 106 - QD    PHE   97   7.21 +/- 0.65   0.208% *  0.8440% (0.95   0.02  12.36) =   0.002%
          QE    LYS+  99 - QD    PHE   97   6.39 +/- 0.49   0.425% *  0.1766% (0.20   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    PHE   97   9.26 +/- 0.34   0.040% *  0.7144% (0.80   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  13.27 +/- 0.51   0.005% *  0.7739% (0.87   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 62.6:
      O T HB3   PHE   97 - QD    PHE   97   2.33 +/- 0.03  99.983% * 97.9268% (1.00   2.74  62.58) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  10.93 +/- 0.62   0.010% *  0.6419% (0.90   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  12.51 +/- 0.46   0.004% *  0.6907% (0.97   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  14.48 +/- 0.22   0.002% *  0.5197% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  16.27 +/- 0.51   0.001% *  0.2209% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.835, support = 0.987, residual support = 2.49:
          QG1   VAL  107 - QD    PHE   97   3.65 +/- 0.07  99.268% * 93.5561% (0.84   0.99   2.49) =  99.992%  kept
          HG13  ILE  119 - QD    PHE   97   8.59 +/- 0.36   0.602% *  0.9329% (0.41   0.02   0.02) =   0.006%
          QG1   VAL   24 - QD    PHE   97  13.71 +/- 1.14   0.040% *  2.2693% (1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - QD    PHE   97  14.23 +/- 0.81   0.031% *  2.2243% (0.98   0.02   0.02) =   0.001%
          HB3   LEU   31 - QD    PHE   97  12.62 +/- 0.28   0.059% *  1.0174% (0.45   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.3, residual support = 17.2:
          HB2   LEU  104 - QD    PHE   97   3.80 +/- 0.06  98.084% * 98.1982% (0.69   3.30  17.18) =  99.988%  kept
          QD1   ILE  119 - QD    PHE   97   8.70 +/- 0.26   0.705% *  0.8200% (0.95   0.02   0.02) =   0.006%
          QG2   VAL  108 - QD    PHE   97   8.23 +/- 0.78   1.106% *  0.4561% (0.53   0.02   0.02) =   0.005%
          HB    VAL   75 - QD    PHE   97  11.95 +/- 0.43   0.105% *  0.5258% (0.61   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.281, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD    PHE   97   4.02 +/- 0.31  44.211% * 63.2846% (0.34   0.02   0.02) =  57.733%  kept
          QG2   THR  118 - QD    PHE   97   3.83 +/- 0.36  55.789% * 36.7154% (0.20   0.02   0.02) =  42.267%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.996, support = 0.0199, residual support = 0.0199:
          QB    ALA   64 - QD    PHE   97   7.66 +/- 0.28  97.560% * 85.0969% (1.00   0.02   0.02) =  99.564%  kept
          QB    ALA   47 - QD    PHE   97  14.22 +/- 0.19   2.440% * 14.9031% (0.18   0.02   0.02) =   0.436%
    Distance limit 5.50 A violated in 20 structures by 2.16 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.22, residual support = 26.3:
          HN    LEU  115 - QD    PHE   59   5.08 +/- 0.14  91.584% * 98.7655% (0.97   2.22  26.35) =  99.970%  kept
          HN    PHE   97 - QD    PHE   59   9.96 +/- 0.22   1.640% *  0.8903% (0.97   0.02   0.02) =   0.016%
          HN    ASP- 113 - QD    PHE   59   7.87 +/- 0.19   6.769% *  0.1826% (0.20   0.02   0.02) =   0.014%
          HN    ALA   12 - QD    PHE   59  25.08 +/- 1.40   0.007% *  0.1616% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 1 structures by 0.01 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.576, support = 2.27, residual support = 51.7:
          HA    PHE   59 - QD    PHE   59   2.85 +/- 0.54  89.913% * 65.7868% (0.61   2.38  54.36) =  95.040%  kept
          HA    ILE   56 - QD    PHE   59   4.29 +/- 0.19   9.823% * 31.4056% (0.61   1.14  21.93) =   4.957%
          HA    ASP- 113 - QD    PHE   59   8.36 +/- 0.18   0.217% *  0.9076% (1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - QD    PHE   59  10.63 +/- 0.63   0.040% *  0.4428% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  15.37 +/- 0.21   0.005% *  0.7284% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  19.14 +/- 0.47   0.001% *  0.5885% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  22.27 +/- 0.53   0.001% *  0.1404% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.997, support = 1.5, residual support = 19.9:
        T HA    ILE  119 - QD    PHE   59   4.44 +/- 0.17  93.216% * 95.3149% (1.00   1.50  19.88) =  99.912%  kept
        T HA    THR  118 - QD    PHE   59   7.07 +/- 0.12   5.859% *  1.2049% (0.95   0.02   5.91) =   0.079%
          HA2   GLY  109 - QD    PHE   59   9.93 +/- 0.28   0.757% *  0.8749% (0.69   0.02   0.02) =   0.007%
          HB2   TRP   49 - QD    PHE   59  17.56 +/- 0.71   0.027% *  1.2485% (0.98   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  13.71 +/- 0.92   0.128% *  0.2521% (0.20   0.02   0.02) =   0.000%
          HA    ALA   84 - QD    PHE   59  19.56 +/- 0.52   0.013% *  1.1048% (0.87   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 2.44, residual support = 54.4:
      O   HB2   PHE   59 - QD    PHE   59   2.44 +/- 0.15  99.761% * 97.5745% (0.97   2.44  54.36) =  99.999%  kept
          QB    PHE   55 - QD    PHE   59   7.16 +/- 0.16   0.174% *  0.6344% (0.76   0.02   0.02) =   0.001%
          HB3   CYS   53 - QD    PHE   59   9.46 +/- 0.51   0.033% *  0.3722% (0.45   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59  10.45 +/- 0.38   0.017% *  0.5370% (0.65   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  12.45 +/- 0.46   0.006% *  0.5703% (0.69   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  11.97 +/- 0.71   0.009% *  0.3116% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 2.86, residual support = 54.4:
      O   HB3   PHE   59 - QD    PHE   59   2.52 +/- 0.07  99.999% * 99.7768% (0.97   2.86  54.36) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  17.76 +/- 0.76   0.001% *  0.2232% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.817, support = 0.02, residual support = 17.7:
          HB2   PRO   58 - QD    PHE   59   7.33 +/- 0.11  37.205% * 31.0944% (0.99   0.02  37.60) =  47.067%  kept
          HB2   GLN  116 - QD    PHE   59   6.83 +/- 0.20  56.948% * 20.2947% (0.65   0.02   0.02) =  47.022%  kept
          HB3   PHE   97 - QD    PHE   59  10.02 +/- 0.19   5.693% * 25.1208% (0.80   0.02   0.02) =   5.819%  kept
          HB2   GLU- 100 - QD    PHE   59  18.99 +/- 0.63   0.126% * 16.5055% (0.53   0.02   0.02) =   0.084%
          HG3   GLU-  25 - QD    PHE   59  24.40 +/- 0.80   0.028% *  6.9845% (0.22   0.02   0.02) =   0.008%
    Distance limit 5.50 A violated in 20 structures by 0.71 A, eliminated.
    Peak unassigned.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 21.9:
        T QG1   ILE   56 - QD    PHE   59   3.06 +/- 0.45  99.881% * 97.2312% (0.97   1.97  21.93) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59  11.37 +/- 0.69   0.052% *  0.3481% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  14.13 +/- 0.41   0.014% *  1.0184% (1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  13.41 +/- 0.50   0.019% *  0.3831% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  12.16 +/- 0.77   0.031% *  0.2020% (0.20   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  17.99 +/- 0.56   0.003% *  0.8173% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.647, support = 2.25, residual support = 26.3:
          HB3   LEU  115 - QD    PHE   59   1.96 +/- 0.30  90.399% * 90.9495% (0.65   2.25  26.35) =  99.976%  kept
          HG    LEU  115 - QD    PHE   59   3.46 +/- 0.71   9.345% *  0.1928% (0.15   0.02  26.35) =   0.022%
          QB    ALA   61 - QD    PHE   59   5.87 +/- 0.15   0.114% *  0.8584% (0.69   0.02   1.33) =   0.001%
          QB    ALA  110 - QD    PHE   59   6.30 +/- 0.25   0.072% *  0.5603% (0.45   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    PHE   59   7.51 +/- 0.71   0.029% *  1.2061% (0.97   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    PHE   59   9.16 +/- 1.18   0.010% *  0.6575% (0.53   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    PHE   59   7.58 +/- 0.16   0.024% *  0.1928% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    PHE   59  10.14 +/- 0.50   0.004% *  1.0438% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   59  11.80 +/- 0.55   0.002% *  0.8084% (0.65   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    PHE   59  13.73 +/- 0.92   0.001% *  1.2469% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  14.94 +/- 0.74   0.000% *  0.4690% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  19.26 +/- 0.96   0.000% *  1.2061% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  20.07 +/- 1.30   0.000% *  0.6083% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (1.10, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 2.89, residual support = 19.9:
        T HG13  ILE  119 - QD    PHE   59   3.04 +/- 0.49  93.806% * 94.8047% (0.41   2.90  19.88) =  99.905%  kept
        T QG1   VAL  107 - QD    PHE   59   5.16 +/- 0.27   5.119% *  1.3296% (0.84   0.02   0.33) =   0.076%
          HD3   LYS+ 112 - QD    PHE   59   7.01 +/- 0.91   1.063% *  1.5603% (0.98   0.02   0.02) =   0.019%
          QG1   VAL   24 - QD    PHE   59  15.44 +/- 1.43   0.010% *  1.5918% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  18.22 +/- 0.52   0.003% *  0.7136% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.901, support = 0.0196, residual support = 0.0196:
          QD2   LEU  123 - QD    PHE   59   8.08 +/- 0.61  73.054% * 60.0043% (0.98   0.02   0.02) =  88.294%  kept
          HG3   LYS+ 121 - QD    PHE   59  10.07 +/- 0.33  20.580% * 22.9752% (0.38   0.02   0.02) =   9.524%  kept
          HB3   LEU  104 - QD    PHE   59  12.16 +/- 0.34   6.366% * 17.0205% (0.28   0.02   0.02) =   2.183%
    Distance limit 5.50 A violated in 20 structures by 2.23 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.975, support = 3.63, residual support = 24.1:
          QD2   LEU  115 - QD    PHE   59   2.07 +/- 0.40  72.963% * 76.5754% (0.98   3.87  26.35) =  91.228%  kept
          QD1   LEU   63 - QD    PHE   59   2.70 +/- 0.39  24.334% * 22.0621% (0.92   1.18   0.38) =   8.766%  kept
          QD2   LEU   63 - QD    PHE   59   4.06 +/- 0.71   2.698% *  0.1379% (0.34   0.02   0.38) =   0.006%
          QD1   LEU  104 - QD    PHE   59  11.20 +/- 0.47   0.003% *  0.3236% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  12.31 +/- 0.59   0.002% *  0.3731% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  16.76 +/- 1.18   0.000% *  0.3900% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  18.72 +/- 0.68   0.000% *  0.1379% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.86, residual support = 26.4:
        T QD1   LEU  115 - QD    PHE   59   2.67 +/- 0.59  98.792% * 99.5052% (0.84   3.86  26.35) =  99.999%  kept
          QB    ALA   64 - QD    PHE   59   6.41 +/- 0.44   1.179% *  0.0953% (0.15   0.02   0.02) =   0.001%
          QG1   VAL   75 - QD    PHE   59  11.52 +/- 1.19   0.029% *  0.3995% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.726, support = 1.5, residual support = 26.4:
        T HA    LEU  115 - QE    PHE   59   2.15 +/- 0.28  99.859% * 92.0461% (0.73   1.50  26.35) =  99.998%  kept
          HA    GLU- 114 - QE    PHE   59   6.79 +/- 0.29   0.112% *  1.6864% (1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QE    PHE   59   9.54 +/- 0.48   0.019% *  0.2960% (0.18   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QE    PHE   59  11.27 +/- 0.41   0.007% *  0.3345% (0.20   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  16.28 +/- 0.54   0.001% *  1.4661% (0.87   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  16.81 +/- 0.74   0.001% *  1.6567% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  17.85 +/- 1.12   0.000% *  1.1610% (0.69   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  20.84 +/- 1.18   0.000% *  1.3533% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 1.91, residual support = 5.91:
        T HB    THR  118 - QE    PHE   59   2.61 +/- 0.24  99.994% * 97.5665% (0.95   1.91   5.91) = 100.000%  kept
          HB    THR   39 - QE    PHE   59  15.59 +/- 0.46   0.003% *  0.4854% (0.45   0.02   0.02) =   0.000%
          HA    ILE   89 - QE    PHE   59  17.98 +/- 0.67   0.001% *  0.6567% (0.61   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  18.10 +/- 0.76   0.001% *  0.6567% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  19.25 +/- 1.16   0.001% *  0.4451% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  23.79 +/- 1.07   0.000% *  0.1896% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.791, support = 0.338, residual support = 0.326:
          HB    VAL  107 - QE    PHE   59   4.86 +/- 0.47  76.572% * 79.9680% (0.80   0.34   0.33) =  98.786%  kept
          QE    LYS+ 112 - QE    PHE   59   6.92 +/- 0.60  10.283% *  5.8186% (1.00   0.02   0.02) =   0.965%
          HB3   ASP-  62 - QE    PHE   59   6.74 +/- 0.54  12.114% *  0.7892% (0.14   0.02   4.50) =   0.154%
          HB3   PHE   45 - QE    PHE   59  10.69 +/- 1.03   0.991% *  5.8186% (1.00   0.02   0.02) =   0.093%
          HG2   GLU-  29 - QE    PHE   59  22.28 +/- 1.31   0.010% *  3.5370% (0.61   0.02   0.02) =   0.001%
          QG    GLN   32 - QE    PHE   59  19.15 +/- 0.79   0.024% *  1.4541% (0.25   0.02   0.02) =   0.001%
          HB3   ASP-  86 - QE    PHE   59  24.43 +/- 1.03   0.005% *  2.6145% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 2 structures by 0.05 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 3.9, residual support = 19.9:
          HG12  ILE  119 - QE    PHE   59   2.58 +/- 0.21  99.526% * 95.9144% (0.73   3.90  19.88) =  99.997%  kept
          HB2   ASP-  44 - QE    PHE   59   7.40 +/- 1.57   0.388% *  0.6716% (0.99   0.02   0.02) =   0.003%
          HB3   PHE   72 - QE    PHE   59   9.24 +/- 1.19   0.073% *  0.6761% (1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QE    PHE   59  15.09 +/- 0.99   0.003% *  0.6410% (0.95   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   59  13.60 +/- 1.25   0.007% *  0.1690% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   59  16.95 +/- 1.21   0.001% *  0.6642% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  18.45 +/- 0.94   0.001% *  0.6761% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  20.21 +/- 1.06   0.000% *  0.2311% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  24.17 +/- 1.73   0.000% *  0.3565% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.705, support = 3.35, residual support = 17.8:
          HG13  ILE  119 - QE    PHE   59   3.30 +/- 0.88  55.898% * 85.4662% (0.73   3.65  19.88) =  89.565%  kept
          QG1   VAL  107 - QE    PHE   59   3.45 +/- 0.32  43.769% * 12.7123% (0.53   0.75   0.33) =  10.431%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.42 +/- 0.92   0.290% *  0.6095% (0.95   0.02   0.02) =   0.003%
          QG1   VAL   24 - QE    PHE   59  15.16 +/- 1.68   0.011% *  0.5589% (0.87   0.02   0.02) =   0.000%
          QB    ALA   20 - QE    PHE   59  12.86 +/- 1.04   0.028% *  0.1607% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  17.09 +/- 0.92   0.004% *  0.4924% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.8, support = 2.4, residual support = 21.2:
        T QD2   LEU  115 - QE    PHE   59   2.82 +/- 0.25  21.773% * 91.2639% (0.87   2.91  26.35) =  80.113%  kept
        T QD1   LEU   63 - QE    PHE   59   2.24 +/- 0.14  78.207% *  6.3071% (0.53   0.33   0.38) =  19.886%  kept
        T QD1   LEU  104 - QE    PHE   59   9.64 +/- 0.40   0.012% *  0.7213% (1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QE    PHE   59  11.81 +/- 0.96   0.004% *  0.3803% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  16.74 +/- 1.40   0.001% *  0.6483% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  13.40 +/- 0.61   0.002% *  0.1266% (0.18   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  18.44 +/- 0.93   0.000% *  0.5525% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 2.96, residual support = 26.3:
          QD1   LEU  115 - QE    PHE   59   4.08 +/- 0.30  94.412% * 98.9161% (0.45   2.96  26.35) =  99.961%  kept
          QB    ALA   64 - QE    PHE   59   6.89 +/- 0.65   5.279% *  0.6690% (0.45   0.02   0.02) =   0.038%
          QG1   VAL   75 - QE    PHE   59  11.43 +/- 1.42   0.309% *  0.4149% (0.28   0.02   0.02) =   0.001%
    Distance limit 5.50 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 = 2.11, residual support = 5.91:
          QG2   THR  118 - QE    PHE   59   2.67 +/- 0.25 100.000% *100.0000% (0.80   2.11   5.91) = 100.000%  kept
    Distance limit 5.50 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 = 1.08, residual support = 69.4:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  91.279% * 96.7420% (0.99   1.08  69.47) =  99.950%  kept
          QE    PHE   59 - QE    PHE   60   3.85 +/- 1.05   8.707% *  0.5014% (0.28   0.02  17.00) =   0.049%
          HN    LYS+  66 - QE    PHE   60   9.69 +/- 0.22   0.014% *  1.3783% (0.76   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  17.12 +/- 0.88   0.000% *  1.3783% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.793, support = 1.22, residual support = 3.81:
          HB2   ASP-  44 - QE    PHE   60   3.46 +/- 0.70  88.787% * 20.5744% (0.76   0.75   2.92) =  72.223%  kept
          HB3   PHE   72 - QE    PHE   60   5.44 +/- 0.76   9.256% * 75.8006% (0.87   2.43   6.12) =  27.739%  kept
          HG12  ILE  119 - QE    PHE   60   7.77 +/- 0.36   1.013% *  0.7037% (0.98   0.02   0.02) =   0.028%
          HB2   ASP- 105 - QE    PHE   60   8.57 +/- 0.41   0.614% *  0.1598% (0.22   0.02   0.02) =   0.004%
          HG3   MET   92 - QE    PHE   60  11.21 +/- 1.21   0.214% *  0.4065% (0.57   0.02   0.02) =   0.003%
          QG    GLU-  15 - QE    PHE   60  12.83 +/- 1.03   0.052% *  0.4644% (0.65   0.02   0.02) =   0.001%
          QG    GLN   90 - QE    PHE   60  14.34 +/- 1.02   0.030% *  0.6627% (0.92   0.02   0.02) =   0.001%
          QG    GLU-  14 - QE    PHE   60  15.92 +/- 1.10   0.015% *  0.5749% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  15.53 +/- 0.45   0.016% *  0.4931% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  22.26 +/- 1.78   0.002% *  0.1598% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 0.747, residual support = 3.45:
          HB    VAL   42 - QE    PHE   60   4.00 +/- 0.47  67.368% * 82.1598% (1.00   0.75   3.47) =  99.552%  kept
          HB3   PRO   93 - QE    PHE   60   5.09 +/- 0.83  27.000% *  0.6105% (0.28   0.02   0.02) =   0.296%
          HB3   LEU   73 - QE    PHE   60   6.91 +/- 0.45   2.704% *  2.1523% (0.98   0.02   0.59) =   0.105%
          HB3   LYS+  74 - QE    PHE   60   8.00 +/- 0.22   1.087% *  0.5475% (0.25   0.02   0.02) =   0.011%
          QB    LEU   98 - QE    PHE   60   9.18 +/- 0.44   0.501% *  1.0688% (0.49   0.02   0.02) =   0.010%
          HG3   LYS+ 106 - QE    PHE   60  10.38 +/- 0.29   0.230% *  1.8341% (0.84   0.02   0.02) =   0.008%
          HG3   LYS+  65 - QE    PHE   60  11.07 +/- 0.57   0.161% *  2.1909% (1.00   0.02   0.02) =   0.006%
          HB2   LYS+ 112 - QE    PHE   60  11.25 +/- 0.65   0.155% *  2.0270% (0.92   0.02   0.02) =   0.006%
          HG    LEU   98 - QE    PHE   60   9.15 +/- 1.32   0.546% *  0.3846% (0.18   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QE    PHE   60  11.41 +/- 0.81   0.141% *  0.4889% (0.22   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QE    PHE   60  15.59 +/- 0.88   0.022% *  2.1909% (1.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - QE    PHE   60  12.93 +/- 0.37   0.062% *  0.5475% (0.25   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QE    PHE   60  16.57 +/- 0.93   0.014% *  2.1191% (0.97   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    PHE   60  18.48 +/- 1.61   0.010% *  1.6781% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.198, support = 0.987, residual support = 4.6:
        T QD1   ILE   56 - QE    PHE   60   3.83 +/- 0.14  99.749% * 85.5545% (0.20   0.99   4.60) =  99.979%  kept
          QD2   LEU  123 - QE    PHE   60  11.78 +/- 0.34   0.124% *  8.0853% (0.92   0.02   0.02) =   0.012%
          HG3   LYS+ 121 - QE    PHE   60  11.80 +/- 0.54   0.128% *  6.3601% (0.73   0.02   0.02) =   0.010%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.0, residual support = 3.47:
          QG1   VAL   42 - QE    PHE   60   1.94 +/- 0.22  99.747% * 96.3734% (0.34   2.00   3.47) =  99.994%  kept
          QB    ALA   64 - QE    PHE   60   5.39 +/- 0.14   0.242% *  2.3599% (0.84   0.02   0.78) =   0.006%
          QB    ALA   47 - QE    PHE   60   9.58 +/- 0.45   0.010% *  1.2667% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.847, support = 2.01, residual support = 3.54:
          HB2   ASP-  44 - QD    PHE   60   3.50 +/- 0.60  77.662% * 51.4997% (0.87   2.00   2.92) =  80.726%  kept
          HB3   PHE   72 - QD    PHE   60   4.58 +/- 0.64  20.711% * 46.0921% (0.76   2.03   6.12) =  19.267%  kept
          HG12  ILE  119 - QD    PHE   60   7.12 +/- 0.34   1.461% *  0.2025% (0.34   0.02   0.02) =   0.006%
          QG    GLU-  15 - QD    PHE   60  12.16 +/- 0.95   0.057% *  0.5616% (0.95   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   60  15.05 +/- 1.00   0.017% *  0.4959% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   60  15.01 +/- 0.90   0.019% *  0.4078% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - QD    PHE   60  11.95 +/- 0.74   0.069% *  0.1040% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   60  21.33 +/- 1.72   0.002% *  0.5325% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  20.17 +/- 0.80   0.003% *  0.1040% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.88, residual support = 81.1:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.996% * 99.2865% (0.87   2.88  81.14) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  14.20 +/- 0.24   0.002% *  0.5150% (0.65   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  13.22 +/- 0.32   0.002% *  0.1985% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.764, support = 2.56, residual support = 6.12:
          QD    PHE   60 - QD    PHE   72   2.42 +/- 0.29  99.652% * 98.2764% (0.76   2.56   6.12) =  99.999%  kept
          HN    LYS+  66 - QD    PHE   72   6.68 +/- 0.23   0.290% *  0.2792% (0.28   0.02   0.02) =   0.001%
          HE3   TRP   27 - QD    PHE   72   8.78 +/- 0.19   0.054% *  0.2504% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  14.05 +/- 0.30   0.003% *  0.1987% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    PHE   72  19.69 +/- 0.63   0.000% *  0.9953% (0.99   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.264, support = 1.85, residual support = 7.92:
          QE    PHE   60 - QD    PHE   72   3.94 +/- 0.35  88.336% * 40.8993% (0.18   2.06   6.12) =  85.788%  kept
          HN    LEU   63 - QD    PHE   72   5.68 +/- 0.29  11.404% * 52.4497% (0.80   0.58  18.86) =  14.203%  kept
          HN    ILE   56 - QD    PHE   72  11.88 +/- 0.31   0.129% *  1.5607% (0.69   0.02   0.02) =   0.005%
          HD21  ASN   28 - QD    PHE   72  13.46 +/- 0.16   0.062% *  2.0377% (0.90   0.02   0.02) =   0.003%
          HN    LYS+ 111 - QD    PHE   72  13.45 +/- 0.40   0.062% *  0.7013% (0.31   0.02   0.02) =   0.001%
          HN    ALA   84 - QD    PHE   72  20.16 +/- 0.21   0.005% *  0.7013% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD    PHE   72  23.58 +/- 0.60   0.002% *  1.6499% (0.73   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.43, residual support = 81.1:
          HN    PHE   72 - QD    PHE   72   2.54 +/- 0.16  99.977% * 99.8174% (0.98   5.43  81.14) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  10.45 +/- 0.29   0.023% *  0.1826% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.711, support = 2.3, residual support = 81.1:
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.805% * 71.8467% (0.69   2.88  81.14) =  69.459%  kept
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.191% * 27.7992% (0.76   1.00  81.14) =  30.541%  kept
          QE    PHE   45 - QE    PHE   72  10.60 +/- 0.18   0.004% *  0.3541% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.764, support = 0.846, residual support = 6.11:
          QD    PHE   60 - QE    PHE   72   3.36 +/- 0.33  92.941% * 94.9632% (0.76   0.85   6.12) =  99.935%  kept
          HN    LYS+  66 - QE    PHE   72   5.33 +/- 0.23   6.928% *  0.8159% (0.28   0.02   0.02) =   0.064%
          HE3   TRP   27 - QE    PHE   72  10.62 +/- 0.25   0.107% *  0.7317% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QE    PHE   72  13.63 +/- 0.37   0.023% *  0.5807% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   72  21.44 +/- 0.70   0.002% *  2.9085% (0.99   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 81.1:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 98.2767% (1.00   1.00  81.14) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  17.26 +/- 0.37   0.000% *  1.1153% (0.57   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  18.53 +/- 0.31   0.000% *  0.6080% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.15, residual support = 81.1:
          HA    PHE   72 - QD    PHE   72   2.59 +/- 0.27  99.945% * 99.8171% (0.90   4.15  81.14) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.33 +/- 0.24   0.055% *  0.1829% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.329, support = 0.0191, residual support = 0.0191:
          HA    PHE   45 - QD    PHE   72   9.61 +/- 0.24  86.522% *  9.9133% (0.22   0.02   0.02) =  73.540%  kept
          HA    THR   23 - QD    PHE   72  15.18 +/- 0.27   5.692% * 28.8048% (0.65   0.02   0.02) =  14.058%  kept
          HA    ASP-  78 - QD    PHE   72  17.61 +/- 0.14   2.298% * 41.1037% (0.92   0.02   0.02) =   8.099%  kept
          HB    THR   23 - QD    PHE   72  16.17 +/- 0.21   3.876% *  7.7981% (0.18   0.02   0.02) =   2.592%
          HA    LEU   80 - QD    PHE   72  18.70 +/- 0.25   1.612% * 12.3802% (0.28   0.02   0.02) =   1.711%
    Distance limit 5.50 A violated in 20 structures by 3.97 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.552, support = 3.41, residual support = 60.7:
      O T HB2   PHE   72 - QD    PHE   72   2.53 +/- 0.18  80.325% * 20.3419% (0.20   3.71  81.14) =  51.211%  kept
        T HA    ALA   64 - QD    PHE   72   3.26 +/- 0.22  19.648% * 79.2282% (0.92   3.10  39.27) =  48.789%  kept
          QE    LYS+  66 - QD    PHE   72   9.87 +/- 0.35   0.024% *  0.1383% (0.25   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    PHE   72  13.54 +/- 0.56   0.004% *  0.2917% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.49, residual support = 81.1:
      O T HB3   PHE   72 - QD    PHE   72   2.57 +/- 0.21  97.610% * 97.4305% (0.98   4.49  81.14) =  99.990%  kept
          HB2   ASP-  44 - QD    PHE   72   5.17 +/- 0.60   2.160% *  0.4085% (0.92   0.02   0.02) =   0.009%
          QG    GLU-  15 - QD    PHE   72   7.77 +/- 1.13   0.168% *  0.3696% (0.84   0.02   0.02) =   0.001%
          HG12  ILE  119 - QD    PHE   72   9.97 +/- 0.59   0.034% *  0.3838% (0.87   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   72  11.37 +/- 0.97   0.019% *  0.4186% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  13.25 +/- 0.34   0.006% *  0.2154% (0.49   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  18.65 +/- 0.71   0.001% *  0.4415% (1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  16.86 +/- 1.14   0.002% *  0.1661% (0.38   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  17.56 +/- 1.60   0.001% *  0.1661% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.801, support = 0.845, residual support = 5.83:
        T HB    VAL   42 - QD    PHE   72   2.74 +/- 0.31  98.676% * 81.9122% (0.80   0.84   5.83) =  99.972%  kept
          HB3   LEU   73 - QD    PHE   72   6.87 +/- 0.53   0.586% *  1.7586% (0.73   0.02  26.08) =   0.013%
          HG3   LYS+  65 - QD    PHE   72   7.57 +/- 0.48   0.288% *  1.9393% (0.80   0.02   0.02) =   0.007%
          HB3   LYS+  74 - QD    PHE   72   7.62 +/- 0.31   0.278% *  1.3712% (0.57   0.02   0.02) =   0.005%
          QB    LEU   98 - QD    PHE   72   8.94 +/- 0.31   0.099% *  2.0229% (0.84   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QD    PHE   72  11.31 +/- 1.20   0.029% *  2.1008% (0.87   0.02   0.02) =   0.001%
          QB    ALA   12 - QD    PHE   72  14.09 +/- 1.48   0.010% *  2.4004% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  12.58 +/- 0.87   0.015% *  1.2742% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  13.10 +/- 0.31   0.011% *  1.1789% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  16.12 +/- 0.66   0.003% *  1.6636% (0.69   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QD    PHE   72  16.41 +/- 0.48   0.003% *  1.4689% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  18.38 +/- 0.51   0.001% *  0.9090% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.409, support = 1.49, residual support = 34.9:
        T QD1   LEU   67 - QD    PHE   72   4.33 +/- 0.09  69.500% * 91.4314% (0.41   1.50  35.16) =  99.383%  kept
          QD2   LEU   40 - QD    PHE   72   5.22 +/- 0.56  25.945% *  1.3295% (0.45   0.02   0.02) =   0.539%
        T QD1   ILE  119 - QD    PHE   72   9.03 +/- 0.54   0.907% *  1.5601% (0.53   0.02   0.02) =   0.022%
          HG3   LYS+  74 - QD    PHE   72   7.91 +/- 0.53   2.099% *  0.6602% (0.22   0.02   0.02) =   0.022%
          HB    VAL   75 - QD    PHE   72  10.17 +/- 0.52   0.439% *  2.9066% (0.98   0.02   0.02) =   0.020%
          HB2   LEU  104 - QD    PHE   72   9.50 +/- 0.31   0.633% *  0.7394% (0.25   0.02   0.02) =   0.007%
          QG2   ILE  103 - QD    PHE   72  10.37 +/- 0.38   0.377% *  0.9152% (0.31   0.02   0.02) =   0.005%
          QG2   VAL  108 - QD    PHE   72  12.98 +/- 0.68   0.099% *  0.4575% (0.15   0.02   0.02) =   0.001%
    Distance limit 5.50 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 = 0.945, support = 5.29, residual support = 26.1:
          QD2   LEU   73 - QD    PHE   72   4.96 +/- 0.12  64.753% * 98.8989% (0.95   5.29  26.08) =  99.937%  kept
          QG1   VAL   41 - QD    PHE   72   6.50 +/- 0.32  13.179% *  0.1099% (0.28   0.02   0.02) =   0.023%
          QD1   ILE   56 - QD    PHE   72   8.29 +/- 0.22   3.054% *  0.3919% (0.99   0.02   0.02) =   0.019%
          QG1   VAL   43 - QD    PHE   72   6.16 +/- 0.20  17.963% *  0.0610% (0.15   0.02   0.02) =   0.017%
          HG    LEU   31 - QD    PHE   72  10.65 +/- 0.90   0.811% *  0.3302% (0.84   0.02   0.02) =   0.004%
          HG3   LYS+ 121 - QD    PHE   72  12.70 +/- 0.55   0.240% *  0.2080% (0.53   0.02   0.02) =   0.001%
    Distance limit 5.50 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 = 4.91, residual support = 39.3:
        T QB    ALA   64 - QD    PHE   72   2.11 +/- 0.25  99.988% * 99.9109% (0.80   4.91  39.27) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72  10.04 +/- 0.63   0.012% *  0.0891% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.39, residual support = 41.8:
        T QG2   VAL   70 - QD    PHE   72   2.33 +/- 0.26 100.000% *100.0000% (0.65   4.39  41.80) = 100.000%  kept
    Distance limit 5.50 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 = 0.375, support = 4.05, residual support = 39.3:
        T HA    ALA   64 - QE    PHE   72   2.78 +/- 0.13  99.843% * 97.6956% (0.38   4.05  39.27) =  99.998%  kept
          QE    LYS+  66 - QE    PHE   72   8.27 +/- 0.39   0.151% *  1.0298% (0.80   0.02   0.02) =   0.002%
          HB3   ASN   35 - QE    PHE   72  14.45 +/- 0.54   0.005% *  1.2747% (0.99   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.991, support = 4.19, residual support = 41.8:
        T HB    VAL   70 - QE    PHE   72   2.07 +/- 0.45  99.863% * 98.2543% (0.99   4.19  41.80) = 100.000%  kept
        T QG    GLN   17 - QE    PHE   72   8.38 +/- 0.37   0.051% *  0.4566% (0.97   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    PHE   72   8.93 +/- 0.20   0.045% *  0.3952% (0.84   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72   9.37 +/- 0.35   0.026% *  0.0730% (0.15   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  12.51 +/- 0.70   0.007% *  0.1776% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  12.59 +/- 1.11   0.007% *  0.0730% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  15.60 +/- 0.63   0.001% *  0.1460% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  19.14 +/- 0.22   0.000% *  0.4243% (0.90   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 35.2:
        T HB2   LEU   67 - QE    PHE   72   2.66 +/- 0.44  98.162% * 93.3029% (0.45   2.96  35.16) =  99.991%  kept
          HB    VAL   18 - QE    PHE   72   6.44 +/- 0.97   1.285% *  0.3134% (0.22   0.02   7.40) =   0.004%
          HB    ILE   19 - QE    PHE   72   8.10 +/- 0.23   0.174% *  1.0221% (0.73   0.02   0.02) =   0.002%
          HG2   PRO   68 - QE    PHE   72   8.50 +/- 0.35   0.111% *  1.1271% (0.80   0.02   0.02) =   0.001%
          HB2   LEU  115 - QE    PHE   72  10.95 +/- 0.52   0.029% *  1.1757% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    PHE   72   8.74 +/- 1.10   0.118% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  11.82 +/- 0.33   0.018% *  1.2209% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    PHE   72   9.10 +/- 0.29   0.085% *  0.2465% (0.18   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  12.30 +/- 1.01   0.017% *  0.9105% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  19.38 +/- 0.19   0.001% *  0.4344% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 2.96, residual support = 35.2:
          HB3   LEU   67 - QE    PHE   72   3.00 +/- 0.39  96.949% * 88.9298% (0.38   2.96  35.16) =  99.974%  kept
          QB    ALA   61 - QE    PHE   72   6.35 +/- 0.33   1.378% *  0.8432% (0.53   0.02   0.02) =   0.013%
          QG    LYS+  66 - QE    PHE   72   6.63 +/- 0.45   1.119% *  0.3568% (0.22   0.02   0.02) =   0.005%
          QB    LEU   98 - QE    PHE   72   9.01 +/- 0.33   0.198% *  1.0367% (0.65   0.02   0.02) =   0.002%
          HG12  ILE   19 - QE    PHE   72   9.37 +/- 0.32   0.136% *  1.3386% (0.84   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QE    PHE   72   9.76 +/- 0.31   0.096% *  1.4372% (0.90   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QE    PHE   72  10.73 +/- 0.91   0.074% *  1.4794% (0.92   0.02   0.02) =   0.001%
          QB    ALA  110 - QE    PHE   72  11.43 +/- 0.33   0.038% *  1.2247% (0.76   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    PHE   72  14.98 +/- 1.30   0.010% *  0.6015% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  20.02 +/- 0.60   0.001% *  1.5884% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  19.40 +/- 1.00   0.002% *  1.1637% (0.73   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.411, support = 4.0, residual support = 35.2:
        T QD1   LEU   67 - QE    PHE   72   2.33 +/- 0.22  96.988% * 96.6034% (0.41   4.00  35.16) =  99.983%  kept
          QD2   LEU   40 - QE    PHE   72   4.55 +/- 0.52   2.806% *  0.5270% (0.45   0.02   0.02) =   0.016%
        T QD1   ILE  119 - QE    PHE   72   7.62 +/- 0.50   0.091% *  0.6184% (0.53   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    PHE   72   8.24 +/- 0.38   0.060% *  0.2931% (0.25   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72   9.78 +/- 0.37   0.021% *  0.3628% (0.31   0.02   0.02) =   0.000%
          HB    VAL   75 - QE    PHE   72  11.87 +/- 0.57   0.007% *  1.1522% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72   9.92 +/- 0.54   0.023% *  0.2617% (0.22   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  12.72 +/- 0.70   0.004% *  0.1814% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.684, support = 4.32, residual support = 20.6:
          HB3   LEU   63 - QE    PHE   72   2.34 +/- 0.54  69.115% * 77.5792% (0.73   4.27  18.86) =  92.336%  kept
          QG1   VAL   70 - QE    PHE   72   2.98 +/- 0.41  20.488% * 21.6450% (0.18   4.94  41.80) =   7.637%  kept
          QD1   LEU   40 - QE    PHE   72   3.26 +/- 0.34   9.674% *  0.1546% (0.31   0.02   0.02) =   0.026%
          QG1   VAL   18 - QE    PHE   72   5.57 +/- 1.13   0.722% *  0.1249% (0.25   0.02   7.40) =   0.002%
          QG1   VAL  108 - QE    PHE   72  13.35 +/- 0.41   0.002% *  0.4964% (0.99   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (0.58, 6.99, 130.46 ppm):
    7 chemical-shift based assignments, quality = 0.916, support = 3.63, residual support = 18.9:
          QD1   LEU   63 - QE    PHE   72   3.38 +/- 0.40  72.223% * 54.3566% (0.98   3.50  18.86) =  78.138%  kept
          QD2   LEU   63 - QE    PHE   72   4.08 +/- 0.34  24.571% * 44.6862% (0.69   4.10  18.86) =  21.854%  kept
          QD1   LEU  104 - QE    PHE   72   7.22 +/- 0.50   0.932% *  0.1422% (0.45   0.02   0.02) =   0.003%
          QD1   LEU   73 - QE    PHE   72   8.62 +/- 0.18   0.295% *  0.3110% (0.98   0.02  26.08) =   0.002%
          QG2   VAL   41 - QE    PHE   72   6.56 +/- 0.34   1.602% *  0.0556% (0.18   0.02   0.02) =   0.002%
          QD2   LEU  115 - QE    PHE   72   8.25 +/- 0.36   0.369% *  0.2304% (0.73   0.02   0.02) =   0.002%
          QD2   LEU   80 - QE    PHE   72  15.99 +/- 0.83   0.008% *  0.2179% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.12, residual support = 39.2:
          QB    ALA   64 - QE    PHE   72   2.79 +/- 0.31  56.834% * 99.0975% (0.69   4.13  39.27) =  99.740%  kept
          QG1   VAL   42 - QE    PHE   72   2.95 +/- 0.33  43.157% *  0.3402% (0.49   0.02   5.83) =   0.260%
          QB    ALA   47 - QE    PHE   72  14.01 +/- 0.27   0.004% *  0.4240% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  13.59 +/- 0.77   0.005% *  0.1383% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.44, residual support = 41.8:
        T QG2   VAL   70 - QE    PHE   72   1.84 +/- 0.10 100.000% *100.0000% (0.90   4.44  41.80) = 100.000%  kept
    Distance limit 5.50 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 = 0.647, support = 2.83, residual support = 39.3:
        T HA    ALA   64 - HZ    PHE   72   3.06 +/- 0.37  99.644% * 98.5359% (0.65   2.83  39.27) =  99.998%  kept
          QE    LYS+  66 - HZ    PHE   72   8.49 +/- 0.57   0.352% *  0.5658% (0.53   0.02   0.02) =   0.002%
          HB3   ASN   35 - HZ    PHE   72  17.26 +/- 0.55   0.004% *  0.8983% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.28, residual support = 41.8:
        T HB    VAL   70 - HZ    PHE   72   3.94 +/- 0.28  99.152% * 98.0435% (0.92   3.28  41.80) =  99.996%  kept
        T QG    GLN   17 - HZ    PHE   72  10.00 +/- 0.37   0.409% *  0.6255% (0.97   0.02   0.02) =   0.003%
        T HB2   MET   96 - HZ    PHE   72  10.28 +/- 0.30   0.351% *  0.3410% (0.53   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HZ    PHE   72  15.04 +/- 1.11   0.042% *  0.2433% (0.38   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  14.66 +/- 0.67   0.042% *  0.1000% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  22.54 +/- 0.25   0.003% *  0.6467% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 35.2:
        T HB2   LEU   67 - HZ    PHE   72   2.75 +/- 0.47  99.493% * 93.3029% (0.45   2.96  35.16) =  99.997%  kept
          HG2   PRO   68 - HZ    PHE   72   9.31 +/- 0.30   0.095% *  1.1271% (0.80   0.02   0.02) =   0.001%
          HB    VAL   18 - HZ    PHE   72   8.28 +/- 1.03   0.210% *  0.3134% (0.22   0.02   7.40) =   0.001%
          HB    ILE   19 - HZ    PHE   72  10.13 +/- 0.27   0.063% *  1.0221% (0.73   0.02   0.02) =   0.001%
          HB2   LEU  115 - HZ    PHE   72  12.47 +/- 0.57   0.022% *  1.1757% (0.84   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  13.54 +/- 1.07   0.017% *  0.9105% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  15 - HZ    PHE   72  10.65 +/- 1.01   0.057% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.09 +/- 0.37   0.008% *  1.2209% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.93 +/- 0.34   0.035% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  22.80 +/- 0.23   0.000% *  0.4344% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 2.96, residual support = 35.2:
          HB3   LEU   67 - HZ    PHE   72   3.61 +/- 0.42  95.775% * 88.9298% (0.38   2.96  35.16) =  99.971%  kept
          QG    LYS+  66 - HZ    PHE   72   6.73 +/- 0.55   2.711% *  0.3568% (0.22   0.02   0.02) =   0.011%
          QB    ALA   61 - HZ    PHE   72   8.10 +/- 0.34   0.927% *  0.8432% (0.53   0.02   0.02) =   0.009%
          HD3   LYS+ 121 - HZ    PHE   72  10.98 +/- 1.10   0.161% *  1.4794% (0.92   0.02   0.02) =   0.003%
          QB    LEU   98 - HZ    PHE   72  10.51 +/- 0.30   0.185% *  1.0367% (0.65   0.02   0.02) =   0.002%
          HG12  ILE   19 - HZ    PHE   72  11.55 +/- 0.32   0.106% *  1.3386% (0.84   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HZ    PHE   72  12.08 +/- 0.32   0.080% *  1.4372% (0.90   0.02   0.02) =   0.001%
          QB    ALA  110 - HZ    PHE   72  13.43 +/- 0.40   0.042% *  1.2247% (0.76   0.02   0.02) =   0.001%
          QB    ALA   12 - HZ    PHE   72  17.46 +/- 1.35   0.009% *  0.6015% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - HZ    PHE   72  23.37 +/- 0.72   0.002% *  1.5884% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  22.68 +/- 1.16   0.002% *  1.1637% (0.73   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.411, support = 3.99, residual support = 35.2:
        T QD1   LEU   67 - HZ    PHE   72   1.86 +/- 0.10  99.830% * 96.5994% (0.41   3.99  35.16) =  99.999%  kept
          QD2   LEU   40 - HZ    PHE   72   5.59 +/- 0.37   0.144% *  0.5276% (0.45   0.02   0.02) =   0.001%
        T QD1   ILE  119 - HZ    PHE   72   8.58 +/- 0.48   0.012% *  0.6192% (0.53   0.02   0.02) =   0.000%
          HB2   LEU  104 - HZ    PHE   72   8.93 +/- 0.42   0.009% *  0.2935% (0.25   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  10.73 +/- 0.43   0.003% *  0.3632% (0.31   0.02   0.02) =   0.000%
        T HB    VAL   75 - HZ    PHE   72  14.24 +/- 0.69   0.001% *  1.1536% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.38 +/- 0.59   0.001% *  0.2620% (0.22   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  14.29 +/- 0.85   0.001% *  0.1816% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.25, residual support = 18.9:
        T HB3   LEU   63 - HZ    PHE   72   2.57 +/- 0.53  85.749% * 98.6557% (0.95   3.25  18.86) =  99.960%  kept
        T QG1   VAL   70 - HZ    PHE   72   4.05 +/- 0.63  13.475% *  0.2410% (0.38   0.02  41.80) =   0.038%
          QG1   VAL   18 - HZ    PHE   72   7.21 +/- 1.26   0.369% *  0.3126% (0.49   0.02   7.40) =   0.001%
          QD1   LEU  123 - HZ    PHE   72   7.43 +/- 0.51   0.297% *  0.1271% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   71 - HZ    PHE   72   8.83 +/- 0.75   0.107% *  0.1271% (0.20   0.02  18.87) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  15.12 +/- 0.43   0.003% *  0.5364% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.816, support = 2.48, residual support = 18.9:
          QD2   LEU   63 - HZ    PHE   72   3.85 +/- 0.73  61.594% * 42.4168% (0.69   2.56  18.86) =  55.995%  kept
          QD1   LEU   63 - HZ    PHE   72   4.15 +/- 0.43  36.574% * 56.1274% (0.98   2.37  18.86) =  43.997%  kept
          QD1   LEU  104 - HZ    PHE   72   8.06 +/- 0.48   0.740% *  0.2164% (0.45   0.02   0.02) =   0.003%
          QD2   LEU  115 - HZ    PHE   72   9.31 +/- 0.41   0.283% *  0.3504% (0.73   0.02   0.02) =   0.002%
          QD1   LEU   73 - HZ    PHE   72  10.51 +/- 0.19   0.140% *  0.4730% (0.98   0.02  26.08) =   0.001%
          QG2   VAL   41 - HZ    PHE   72   8.14 +/- 0.28   0.665% *  0.0845% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ    PHE   72  18.76 +/- 0.94   0.005% *  0.3315% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.42, residual support = 41.8:
        T QG2   VAL   70 - HZ    PHE   72   3.59 +/- 0.21 100.000% *100.0000% (0.90   4.42  41.80) = 100.000%  kept
    Distance limit 5.50 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 = 1.89, residual support = 69.2:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98   1.89  69.21) = 100.000%  kept
    Distance limit 5.50 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 = 69.2:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00 100.000% * 99.9133% (0.98   1.00  69.21) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  24.50 +/- 0.83   0.000% *  0.0867% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 69.2:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.999% * 97.2747% (0.98   1.00  69.21) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  20.27 +/- 0.56   0.000% *  1.9804% (1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  17.39 +/- 0.85   0.001% *  0.7449% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 69.2:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.999% * 95.7740% (0.99   1.00  69.21) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87  19.13 +/- 2.14   0.001% *  1.8943% (0.98   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  19.81 +/- 0.62   0.000% *  0.9407% (0.49   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  25.18 +/- 0.90   0.000% *  0.5965% (0.31   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  29.67 +/- 0.68   0.000% *  0.7945% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 69.2:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  98.602% * 97.3925% (0.90   1.00  69.21) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.14 +/- 0.14   1.396% *  0.0262% (0.01   0.02  21.93) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.22 +/- 0.27   0.001% *  0.0787% (0.04   0.02   0.02) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  31.53 +/- 1.23   0.000% *  1.8141% (0.84   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  28.05 +/- 0.77   0.000% *  0.6039% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  25.18 +/- 0.90   0.000% *  0.0845% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.836, support = 0.0193, residual support = 0.0193:
          HZ2   TRP   27 - HZ2   TRP   87  16.48 +/- 1.27  28.276% * 81.3674% (0.87   0.02   0.02) =  96.371%  kept
          HZ    PHE   72 - HN    ILE   56  14.35 +/- 0.41  61.519% *  0.6281% (0.01   0.02   0.02) =   1.619%
          HZ2   TRP   27 - HN    ILE   56  19.72 +/- 0.51   9.112% *  3.5312% (0.04   0.02   0.02) =   1.348%
          HZ    PHE   72 - HZ2   TRP   87  28.11 +/- 0.75   1.094% * 14.4733% (0.15   0.02   0.02) =   0.663%
    Distance limit 5.50 A violated in 20 structures by 10.98 A, eliminated.
    Peak unassigned.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.69, support = 0.0182, residual support = 0.0182:
          HD1   TRP   49 - HZ3   TRP   87  19.29 +/- 1.15  26.692% * 22.0041% (0.99   0.02   0.02) =  42.776%  kept
          QE    PHE   95 - HZ3   TRP   87  18.00 +/- 0.87  40.916% * 10.8062% (0.49   0.02   0.02) =  32.201%  kept
          HN    THR   23 - HZ3   TRP   87  22.33 +/- 1.71  11.799% * 11.6802% (0.53   0.02   0.02) =  10.037%  kept
          HD2   HIS   22 - HZ3   TRP   87  26.42 +/- 1.50   4.065% * 20.4937% (0.92   0.02   0.02) =   6.067%  kept
          HD21  ASN   35 - HZ3   TRP   87  25.48 +/- 2.38   5.489% * 11.6802% (0.53   0.02   0.02) =   4.670%
          QD    PHE   55 - HZ3   TRP   87  22.97 +/- 1.31   9.793% *  3.4254% (0.15   0.02   0.02) =   2.443%
          HN    LEU   67 - HZ3   TRP   87  31.98 +/- 0.80   1.246% * 19.9101% (0.90   0.02   0.02) =   1.806%
    Distance limit 5.50 A violated in 20 structures by 10.35 A, eliminated.
    Peak unassigned.
 
    Peak 215 (8.29, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.73, residual support = 22.4:
          HN    ASP-  86 - HD1   TRP   87   4.11 +/- 0.05  99.985% * 97.7157% (0.38   3.73  22.37) = 100.000%  kept
          HN    GLU-  29 - HD1   TRP   87  19.98 +/- 1.11   0.008% *  1.1184% (0.80   0.02   0.02) =   0.000%
          HN    GLN   30 - HD1   TRP   87  21.34 +/- 0.92   0.005% *  0.4311% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - HD1   TRP   87  26.93 +/- 0.59   0.001% *  0.7348% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          QD1   LEU   31 - HH2   TRP   87  16.76 +/- 1.46 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 5.50 A violated in 20 structures by 11.26 A, eliminated.
    Peak unassigned.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.463, support = 0.0184, residual support = 0.0184:
          QD1   LEU   80 - HH2   TRP   87  11.84 +/- 0.72  57.187% * 13.2036% (0.53   0.02   0.02) =  69.121%  kept
          QD2   LEU   80 - HH2   TRP   87  13.58 +/- 0.89  25.207% *  3.8722% (0.15   0.02   0.02) =   8.935%  kept
          QD2   LEU   98 - HH2   TRP   87  17.18 +/- 1.29   6.587% * 13.2036% (0.53   0.02   0.02) =   7.962%  kept
          QG2   VAL   41 - HH2   TRP   87  18.85 +/- 1.07   3.626% * 18.2235% (0.73   0.02   0.02) =   6.049%  kept
          QD1   LEU   73 - HH2   TRP   87  18.55 +/- 1.33   3.994% * 11.2514% (0.45   0.02   0.02) =   4.114%
          QD2   LEU   63 - HH2   TRP   87  24.23 +/- 0.82   0.841% * 24.5992% (0.98   0.02   0.02) =   1.895%
          QD1   LEU   63 - HH2   TRP   87  22.19 +/- 0.71   1.426% * 11.2514% (0.45   0.02   0.02) =   1.469%
        T QD2   LEU  115 - HH2   TRP   87  23.32 +/- 1.15   1.132% *  4.3951% (0.18   0.02   0.02) =   0.455%
    Distance limit 5.50 A violated in 20 structures by 5.42 A, eliminated.
    Peak unassigned.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.658, support = 0.0196, residual support = 0.0196:
          QD1   LEU   98 - HH2   TRP   87  16.79 +/- 1.25  47.201% * 30.8031% (0.76   0.02   0.02) =  65.901%  kept
          QG2   THR   46 - HH2   TRP   87  17.91 +/- 0.64  31.499% * 10.0504% (0.25   0.02   0.02) =  14.349%  kept
          QD2   LEU  104 - HH2   TRP   87  22.23 +/- 0.99   8.830% * 29.2682% (0.73   0.02   0.02) =  11.714%  kept
          QD1   ILE   19 - HH2   TRP   87  23.92 +/- 1.43   5.665% * 22.8195% (0.57   0.02   0.02) =   5.859%  kept
          QG2   VAL   18 - HH2   TRP   87  23.22 +/- 0.99   6.805% *  7.0588% (0.18   0.02   0.02) =   2.177%
    Distance limit 5.50 A violated in 20 structures by 9.43 A, eliminated.
    Peak unassigned.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.31, residual support = 69.2:
        T HA    TRP   87 - HE3   TRP   87   3.02 +/- 0.06  99.999% * 98.8577% (0.80   3.31  69.21) = 100.000%  kept
          HA    PHE   59 - HE3   TRP   87  26.53 +/- 0.65   0.000% *  0.7203% (0.97   0.02   0.02) =   0.000%
          HA    ASP- 113 - HE3   TRP   87  25.61 +/- 1.55   0.000% *  0.3069% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HE3   TRP   87  26.71 +/- 1.02   0.000% *  0.1152% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.02, residual support = 69.2:
      O T HB2   TRP   87 - HE3   TRP   87   2.56 +/- 0.02 100.000% * 99.3421% (1.00   3.02  69.21) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  23.70 +/- 0.56   0.000% *  0.6579% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.771, support = 0.0182, residual support = 0.0182:
        T QD1   ILE  103 - HE3   TRP   87  16.36 +/- 0.97  42.530% * 24.6359% (0.95   0.02   0.02) =  66.580%  kept
          QG2   ILE  103 - HE3   TRP   87  17.48 +/- 0.73  28.577% *  7.2410% (0.28   0.02   0.02) =  13.149%  kept
          QD2   LEU   71 - HE3   TRP   87  24.41 +/- 1.05   3.939% * 22.5907% (0.87   0.02   0.02) =   5.655%  kept
          QG2   ILE  119 - HE3   TRP   87  25.01 +/- 0.69   3.375% * 26.0433% (1.00   0.02   0.02) =   5.586%  kept
          HG3   LYS+  74 - HE3   TRP   87  21.72 +/- 0.88   7.843% *  9.7743% (0.38   0.02   0.02) =   4.871%
          QD2   LEU   40 - HE3   TRP   87  21.17 +/- 0.71   9.027% *  4.5610% (0.18   0.02   0.02) =   2.616%
          QD1   LEU   67 - HE3   TRP   87  23.57 +/- 0.60   4.709% *  5.1539% (0.20   0.02   0.02) =   1.542%
    Distance limit 5.50 A violated in 20 structures by 9.25 A, eliminated.
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.28, residual support = 69.2:
          HA    TRP   87 - HD1   TRP   87   4.11 +/- 0.06  99.996% * 99.1157% (0.80   4.28  69.21) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  27.09 +/- 0.71   0.001% *  0.5576% (0.97   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  28.11 +/- 1.65   0.001% *  0.2375% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  25.89 +/- 0.70   0.002% *  0.0891% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 18.6:
        T HA    VAL   83 - HD1   TRP   87   3.35 +/- 0.30  99.981% * 97.7277% (0.41   4.31  18.65) = 100.000%  kept
        T HA    VAL   24 - HD1   TRP   87  14.21 +/- 1.00   0.018% *  0.4137% (0.38   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD1   TRP   87  28.35 +/- 1.27   0.000% *  0.9885% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  25.74 +/- 0.57   0.001% *  0.3760% (0.34   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD1   TRP   87  27.68 +/- 1.18   0.000% *  0.4942% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.96, residual support = 69.2:
      O   HB2   TRP   87 - HD1   TRP   87   3.82 +/- 0.01  99.998% * 99.4978% (1.00   3.96  69.21) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  23.19 +/- 0.33   0.002% *  0.5022% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 22.4:
        T HB2   ASP-  86 - HD1   TRP   87   3.01 +/- 0.31  99.976% * 98.0724% (1.00   3.60  22.37) = 100.000%  kept
          HB2   ASP-  78 - HD1   TRP   87  12.70 +/- 0.59   0.020% *  0.1215% (0.22   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HD1   TRP   87  17.38 +/- 1.14   0.003% *  0.4560% (0.84   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  24.29 +/- 1.11   0.000% *  0.4371% (0.80   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  25.29 +/- 1.38   0.000% *  0.3964% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  28.55 +/- 1.04   0.000% *  0.5164% (0.95   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.49, residual support = 69.2:
      O   HB3   TRP   87 - HD1   TRP   87   2.70 +/- 0.01  99.999% * 95.8758% (0.25   3.49  69.21) = 100.000%  kept
          HG3   MET   96 - HD1   TRP   87  18.44 +/- 1.14   0.001% *  1.2463% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD1   TRP   87  29.24 +/- 0.89   0.000% *  1.7627% (0.80   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  30.11 +/- 1.57   0.000% *  0.6795% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  29.69 +/- 0.58   0.000% *  0.4357% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.897, support = 3.53, residual support = 18.6:
        T QG2   VAL   83 - HD1   TRP   87   2.26 +/- 0.34  98.698% * 98.9214% (0.90   3.53  18.65) =  99.995%  kept
          QD1   ILE   89 - HD1   TRP   87   5.10 +/- 0.41   1.297% *  0.4037% (0.65   0.02  13.80) =   0.005%
          QD2   LEU   31 - HD1   TRP   87  15.76 +/- 0.77   0.001% *  0.5904% (0.95   0.02   0.02) =   0.000%
          QG2   VAL   43 - HD1   TRP   87  12.89 +/- 0.43   0.004% *  0.0845% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.725, support = 1.5, residual support = 18.6:
          QG1   VAL   83 - HD1   TRP   87   4.22 +/- 0.19  91.278% * 97.8019% (0.73   1.50  18.65) =  99.834%  kept
        T QG2   ILE   89 - HD1   TRP   87   6.37 +/- 0.36   8.719% *  1.6988% (0.95   0.02  13.80) =   0.166%
          QD1   LEU  104 - HD1   TRP   87  23.40 +/- 1.02   0.003% *  0.4993% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.351, support = 0.017, residual support = 0.017:
          QD1   LEU   80 - HZ2   TRP   87  10.18 +/- 0.61   7.617% * 12.6544% (0.53   0.02   0.02) =  64.231%  kept
          QD2   LEU   80 - HZ2   TRP   87  11.97 +/- 0.78   2.956% *  3.7111% (0.15   0.02   0.02) =   7.311%  kept
          QD2   LEU  115 - HN    ILE   56   7.16 +/- 0.32  59.888% *  0.1828% (0.01   0.02   0.02) =   7.296%  kept
          QD1   LEU   63 - HN    ILE   56   8.68 +/- 0.34  19.361% *  0.4680% (0.02   0.02   0.02) =   6.038%  kept
          QD2   LEU   63 - HN    ILE   56  10.56 +/- 0.80   7.081% *  1.0232% (0.04   0.02   0.02) =   4.828%
          QD2   LEU   98 - HZ2   TRP   87  16.66 +/- 0.94   0.406% * 12.6544% (0.53   0.02   0.02) =   3.424%
          QG2   VAL   41 - HZ2   TRP   87  18.15 +/- 0.78   0.234% * 17.4655% (0.73   0.02   0.02) =   2.721%
          QD1   LEU   73 - HZ2   TRP   87  17.48 +/- 1.06   0.304% * 10.7834% (0.45   0.02   0.02) =   2.188%
          QD2   LEU   63 - HZ2   TRP   87  24.28 +/- 0.86   0.041% * 23.5760% (0.98   0.02   0.02) =   0.637%
          QD1   LEU   63 - HZ2   TRP   87  22.24 +/- 0.76   0.069% * 10.7834% (0.45   0.02   0.02) =   0.494%
          QG2   VAL   41 - HN    ILE   56  15.89 +/- 0.32   0.510% *  0.7580% (0.03   0.02   0.02) =   0.258%
          QD1   LEU   73 - HN    ILE   56  15.92 +/- 0.25   0.500% *  0.4680% (0.02   0.02   0.02) =   0.156%
          QD2   LEU   98 - HN    ILE   56  16.79 +/- 1.19   0.392% *  0.5492% (0.02   0.02   0.02) =   0.143%
          QD2   LEU  115 - HZ2   TRP   87  23.75 +/- 1.21   0.047% *  4.2123% (0.18   0.02   0.02) =   0.133%
          QD1   LEU   80 - HN    ILE   56  18.50 +/- 2.09   0.304% *  0.5492% (0.02   0.02   0.02) =   0.111%
          QD2   LEU   80 - HN    ILE   56  17.72 +/- 1.13   0.291% *  0.1611% (0.01   0.02   0.02) =   0.031%
    Distance limit 5.50 A violated in 20 structures by 1.19 A, eliminated.
    Peak unassigned.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.362, support = 0.0199, residual support = 0.0199:
          QG2   VAL   43 - HZ2   TRP   87  14.43 +/- 0.64  21.347% * 71.3019% (0.45   0.02   0.02) =  74.851%  kept
          QD1   LEU   31 - HZ2   TRP   87  15.76 +/- 1.11  13.000% * 24.5388% (0.15   0.02   0.02) =  15.688%  kept
          QG2   VAL   43 - HN    ILE   56  12.10 +/- 0.38  60.349% *  3.0944% (0.02   0.02   0.02) =   9.183%  kept
          QD1   LEU   31 - HN    ILE   56  18.14 +/- 0.39   5.305% *  1.0649% (0.01   0.02   0.02) =   0.278%
    Distance limit 5.50 A violated in 20 structures by 5.71 A, eliminated.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.753, support = 2.54, residual support = 55.7:
          HA    TRP   49 - HE3   TRP   49   4.39 +/- 0.21  47.865% * 62.9477% (0.69   3.20  86.62) =  63.096%  kept
          HA    CYS   50 - HE3   TRP   49   4.64 +/- 1.32  49.792% * 35.3726% (0.87   1.42   2.77) =  36.883%  kept
          HA    ALA   47 - HE3   TRP   49   7.44 +/- 0.35   2.278% *  0.4379% (0.76   0.02  15.46) =   0.021%
          HA1   GLY  109 - HE3   TRP   49  14.06 +/- 1.13   0.046% *  0.4786% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HE3   TRP   49  17.89 +/- 0.95   0.011% *  0.3707% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HE3   TRP   49  19.53 +/- 0.83   0.008% *  0.2789% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  31.54 +/- 0.75   0.000% *  0.1134% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.62, residual support = 86.6:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.697% * 98.2507% (1.00   3.62  86.62) =  99.999%  kept
          QE    PHE   95 - HE3   TRP   49  14.42 +/- 1.11   0.216% *  0.2043% (0.38   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE3   TRP   49  19.28 +/- 1.27   0.038% *  0.5334% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HE3   TRP   49  18.73 +/- 0.90   0.042% *  0.2237% (0.41   0.02   0.02) =   0.000%
          HN    LEU   67 - HE3   TRP   49  26.60 +/- 0.89   0.005% *  0.4358% (0.80   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE3   TRP   49  31.09 +/- 1.29   0.002% *  0.3521% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.819, support = 0.0196, residual support = 84.9:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  97.152% * 16.7579% (0.84   0.02  86.62) =  98.021%  kept
          QE    PHE   95 - HH2   TRP   49  14.13 +/- 1.30   1.268% * 15.3326% (0.76   0.02   0.02) =   1.171%
          QD    PHE   55 - HH2   TRP   49  14.73 +/- 1.48   1.068% *  6.8436% (0.34   0.02   0.02) =   0.440%
          HN    THR   23 - HH2   TRP   49  19.02 +/- 0.94   0.190% * 16.0651% (0.80   0.02   0.02) =   0.183%
          HD2   HIS   22 - HH2   TRP   49  20.59 +/- 1.21   0.122% * 13.7814% (0.69   0.02   0.02) =   0.101%
          HE3   TRP   27 - HH2   TRP   49  19.36 +/- 0.86   0.169% *  5.5782% (0.28   0.02   0.02) =   0.057%
          HN    LEU   67 - HH2   TRP   49  27.73 +/- 0.94   0.019% * 20.0629% (1.00   0.02   0.02) =   0.023%
          HD21  ASN   35 - HH2   TRP   49  30.01 +/- 1.53   0.012% *  5.5782% (0.28   0.02   0.02) =   0.004%
    Distance limit 5.50 A violated in 20 structures by 1.16 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.25, residual support = 67.5:
          HA    TRP   49 - HD1   TRP   49   4.28 +/- 0.19  64.209% * 45.1462% (0.69   4.72  86.62) =  76.148%  kept
          HA    CYS   50 - HD1   TRP   49   5.96 +/- 0.93  15.627% * 40.7562% (0.87   3.37   2.77) =  16.730%  kept
          HA    ALA   47 - HD1   TRP   49   5.37 +/- 0.58  20.091% * 13.4943% (0.76   1.27  15.46) =   7.122%  kept
          HA1   GLY  109 - HD1   TRP   49  14.75 +/- 1.11   0.039% *  0.2326% (0.84   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  16.43 +/- 1.13   0.022% *  0.1355% (0.49   0.02   0.02) =   0.000%
          HA    VAL  108 - HD1   TRP   49  18.06 +/- 0.95   0.011% *  0.1801% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  30.22 +/- 0.63   0.001% *  0.0551% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.69, 7.13, 121.44 ppm):
    2 chemical-shift based assignments, quality = 0.635, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - HZ3   TRP   87  16.98 +/- 1.49  80.852% * 31.1453% (0.45   0.02   0.02) =  65.635%  kept
          QG2   ILE   19 - HZ3   TRP   87  21.68 +/- 1.39  19.148% * 68.8547% (0.99   0.02   0.02) =  34.365%  kept
    Distance limit 5.50 A violated in 20 structures by 10.87 A, eliminated.
    Peak unassigned.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.693, support = 0.0183, residual support = 0.0183:
          QD1   ILE  103 - HZ3   TRP   87  16.10 +/- 1.18  35.998% * 11.2532% (0.65   0.02   0.02) =  35.493%  kept
          QG2   ILE  103 - HZ3   TRP   87  17.29 +/- 0.82  23.480% * 16.4554% (0.95   0.02   0.02) =  33.853%  kept
          HB    VAL   75 - HZ3   TRP   87  17.44 +/- 1.23  22.817% *  4.3376% (0.25   0.02   0.02) =   8.671%  kept
          QD2   LEU   40 - HZ3   TRP   87  21.49 +/- 0.90   6.258% * 14.5299% (0.84   0.02   0.02) =   7.967%  kept
          HG3   LYS+  74 - HZ3   TRP   87  23.49 +/- 0.99   3.694% * 17.2415% (0.99   0.02   0.02) =   5.580%  kept
          QD1   LEU   67 - HZ3   TRP   87  24.18 +/- 0.72   3.094% * 15.0893% (0.87   0.02   0.02) =   4.090%
          QD2   LEU   71 - HZ3   TRP   87  25.27 +/- 1.25   2.412% * 13.2941% (0.76   0.02   0.02) =   2.809%
          QG2   ILE  119 - HZ3   TRP   87  25.68 +/- 0.79   2.248% *  7.7989% (0.45   0.02   0.02) =   1.536%
    Distance limit 5.50 A violated in 20 structures by 8.21 A, eliminated.
    Peak unassigned.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.792, support = 0.0187, residual support = 0.0187:
          HG2   PRO   93 - HZ3   TRP   87  17.51 +/- 1.41  44.134% * 14.0274% (0.95   0.02   0.02) =  52.097%  kept
          HG12  ILE  103 - HZ3   TRP   87  20.36 +/- 1.07  17.840% * 11.3326% (0.76   0.02   0.02) =  17.013%  kept
          HB3   PRO   52 - HZ3   TRP   87  20.95 +/- 1.35  14.880% *  7.2180% (0.49   0.02   0.02) =   9.038%  kept
          QB    LYS+ 102 - HZ3   TRP   87  23.11 +/- 1.13   8.286% * 11.3326% (0.76   0.02   0.02) =   7.902%  kept
          HB    VAL   41 - HZ3   TRP   87  24.59 +/- 1.84   6.464% * 13.2989% (0.90   0.02   0.02) =   7.234%  kept
          QB    LYS+  66 - HZ3   TRP   87  29.18 +/- 0.65   1.968% * 14.6976% (0.99   0.02   0.02) =   2.434%
          HB2   LEU   71 - HZ3   TRP   87  27.80 +/- 1.58   2.905% *  8.9941% (0.61   0.02   0.02) =   2.199%
          QB    LYS+  65 - HZ3   TRP   87  29.85 +/- 0.65   1.730% *  9.5928% (0.65   0.02   0.02) =   1.396%
          HG    LEU  123 - HZ3   TRP   87  33.70 +/- 1.01   0.823% *  7.2180% (0.49   0.02   0.02) =   0.500%
          HB3   GLN   17 - HZ3   TRP   87  33.03 +/- 0.95   0.969% *  2.2880% (0.15   0.02   0.02) =   0.187%
    Distance limit 5.50 A violated in 20 structures by 9.86 A, eliminated.
    Peak unassigned.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   2.55 +/- 0.08 100.000% *100.0000% (0.61   3.86  73.50) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (5.96, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.44, residual support = 73.5:
        T HA    PHE   95 - QD    PHE   95   2.62 +/- 0.13 100.000% *100.0000% (0.98   3.44  73.50) = 100.000%  kept
    Distance limit 5.50 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 = 0.897, support = 1.82, residual support = 4.08:
          HA    ASP-  44 - QD    PHE   95   3.96 +/- 0.15  99.239% * 92.5799% (0.90   1.82   4.08) =  99.994%  kept
          HB    THR   77 - QD    PHE   95  10.80 +/- 0.43   0.251% *  0.9459% (0.84   0.02   0.02) =   0.003%
          HA    ILE  103 - QD    PHE   95  11.16 +/- 0.08   0.201% *  0.8223% (0.73   0.02   0.02) =   0.002%
          HA    LEU  104 - QD    PHE   95  11.47 +/- 0.15   0.173% *  0.3149% (0.28   0.02   0.02) =   0.001%
          HA1   GLY   51 - QD    PHE   95  13.36 +/- 0.48   0.073% *  0.2241% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  15.84 +/- 0.44   0.025% *  0.3863% (0.34   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  19.17 +/- 0.50   0.008% *  0.9459% (0.84   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  16.45 +/- 0.24   0.020% *  0.3149% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  21.01 +/- 1.19   0.005% *  0.7326% (0.65   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  21.21 +/- 0.60   0.004% *  0.8223% (0.73   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  26.08 +/- 1.55   0.001% *  0.8655% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  28.61 +/- 1.56   0.001% *  1.0454% (0.92   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.5:
      O T HB2   PHE   95 - QD    PHE   95   2.34 +/- 0.03 100.000% *100.0000% (0.97   3.00  73.50) = 100.000%  kept
    Distance limit 5.50 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 = 73.5:
      O T HB3   PHE   95 - QD    PHE   95   2.76 +/- 0.01  99.915% * 99.2275% (0.99   3.31  73.50) =  99.999%  kept
          HG2   GLN  116 - QD    PHE   95   9.00 +/- 0.26   0.084% *  0.6045% (1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - QD    PHE   95  20.65 +/- 0.53   0.001% *  0.1681% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.923, support = 3.86, residual support = 41.1:
        T HB    VAL  107 - QD    PHE   95   2.52 +/- 0.40  99.344% * 98.6642% (0.92   3.86  41.09) =  99.998%  kept
          HB3   PHE   45 - QD    PHE   95   6.73 +/- 0.30   0.423% *  0.2912% (0.53   0.02   1.89) =   0.001%
          QE    LYS+ 112 - QD    PHE   95   7.38 +/- 0.31   0.228% *  0.2912% (0.53   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   95  14.12 +/- 0.46   0.005% *  0.2912% (0.53   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  18.61 +/- 0.56   0.001% *  0.4623% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.896, support = 0.445, residual support = 1.58:
          HB3   PRO   93 - QD    PHE   95   4.22 +/- 0.24  71.874% * 16.5640% (1.00   0.24   0.14) =  59.232%  kept
          HB3   ASP-  44 - QD    PHE   95   5.54 +/- 0.72  17.648% * 40.0303% (0.76   0.75   4.08) =  35.149%  kept
          HB2   LEU   63 - QD    PHE   95   7.15 +/- 0.30   3.207% * 33.8849% (0.65   0.75   1.25) =   5.406%  kept
          HG2   LYS+ 111 - QD    PHE   95   7.24 +/- 0.49   3.151% *  0.4311% (0.31   0.02   0.02) =   0.068%
          HG3   LYS+ 106 - QD    PHE   95   8.58 +/- 0.22   1.069% *  0.8472% (0.61   0.02   0.02) =   0.045%
          HB    VAL   42 - QD    PHE   95   8.42 +/- 0.45   1.300% *  0.4311% (0.31   0.02   1.48) =   0.028%
          HB2   LYS+ 112 - QD    PHE   95   9.05 +/- 0.41   0.800% *  0.6799% (0.49   0.02   0.02) =   0.027%
          HG    LEU   98 - QD    PHE   95  10.82 +/- 1.26   0.301% *  1.3480% (0.97   0.02   0.02) =   0.020%
          HB3   LEU   73 - QD    PHE   95  10.65 +/- 0.37   0.302% *  0.5242% (0.38   0.02   0.02) =   0.008%
          QB    ALA  124 - QD    PHE   95  12.67 +/- 0.55   0.107% *  1.2527% (0.90   0.02   0.02) =   0.007%
          QB    ALA   84 - QD    PHE   95  12.96 +/- 0.55   0.094% *  1.3937% (1.00   0.02   0.02) =   0.007%
          HG3   LYS+  65 - QD    PHE   95  13.80 +/- 0.54   0.063% *  0.4311% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    PHE   95  15.66 +/- 0.95   0.033% *  0.7349% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   95  16.34 +/- 0.26   0.022% *  0.5242% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD    PHE   95  16.77 +/- 0.88   0.020% *  0.5742% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD    PHE   95  19.50 +/- 0.96   0.008% *  0.3483% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.96, residual support = 41.1:
        T QG2   VAL  107 - QD    PHE   95   2.40 +/- 0.17  99.956% * 98.5502% (0.99   2.96  41.09) = 100.000%  kept
          HG2   LYS+ 121 - QD    PHE   95  10.25 +/- 0.34   0.019% *  0.5836% (0.87   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    PHE   95  10.17 +/- 0.24   0.019% *  0.5387% (0.80   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  12.23 +/- 0.32   0.006% *  0.3275% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.929, support = 0.737, residual support = 3.18:
          QD1   LEU   63 - QD    PHE   95   4.35 +/- 0.30  60.359% * 46.4633% (0.90   0.75   1.25) =  65.145%  kept
        T QD2   LEU  115 - QD    PHE   95   4.94 +/- 0.28  30.631% * 48.8445% (0.99   0.71   6.81) =  34.754%  kept
          QD2   LEU   63 - QD    PHE   95   6.08 +/- 0.42   8.350% *  0.4264% (0.31   0.02   1.25) =   0.083%
          QD1   LEU  104 - QD    PHE   95  10.42 +/- 0.37   0.327% *  1.1540% (0.84   0.02   0.02) =   0.009%
          QD1   LEU   73 - QD    PHE   95  10.84 +/- 0.20   0.245% *  1.2390% (0.90   0.02   0.02) =   0.007%
          QD2   LEU   80 - QD    PHE   95  14.14 +/- 1.13   0.057% *  1.3542% (0.98   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD    PHE   95  15.54 +/- 0.96   0.031% *  0.5185% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.644, support = 0.747, residual support = 1.48:
        T QG1   VAL   42 - QD    PHE   95   5.40 +/- 0.36  82.323% * 93.8162% (0.65   0.75   1.48) =  99.603%  kept
          HG2   LYS+ 112 - QD    PHE   95   7.95 +/- 0.62   9.345% *  1.1936% (0.31   0.02   0.02) =   0.144%
          QB    ALA   64 - QD    PHE   95   8.51 +/- 0.27   5.467% *  2.0347% (0.53   0.02   0.02) =   0.143%
        T QB    ALA   47 - QD    PHE   95   9.54 +/- 0.23   2.865% *  2.9555% (0.76   0.02   0.02) =   0.109%
    Distance limit 5.50 A violated in 4 structures by 0.11 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.718, support = 3.26, residual support = 7.41:
          HA    ILE  119 - HD2   HIS  122   2.69 +/- 0.34  95.159% * 47.2721% (0.73   3.19   7.66) =  94.735%  kept
          HA    THR  118 - HD2   HIS  122   4.62 +/- 0.11   4.826% * 51.8100% (0.57   4.48   2.77) =   5.265%  kept
          HD3   PRO   58 - HD2   HIS  122  12.35 +/- 0.40   0.011% *  0.1260% (0.31   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  15.93 +/- 0.42   0.003% *  0.1135% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  19.48 +/- 0.50   0.001% *  0.2312% (0.57   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  26.36 +/- 0.52   0.000% *  0.2641% (0.65   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  26.63 +/- 0.63   0.000% *  0.1831% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.7, residual support = 71.9:
      O T HB2   HIS  122 - HD2   HIS  122   3.94 +/- 0.02  99.786% * 98.5162% (0.49   3.70  71.94) =  99.998%  kept
          HA    LYS+ 112 - HD2   HIS  122  11.27 +/- 0.40   0.187% *  0.8370% (0.76   0.02   0.02) =   0.002%
          HB    THR   46 - HD2   HIS  122  15.69 +/- 0.35   0.025% *  0.2731% (0.25   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  25.73 +/- 0.59   0.001% *  0.3736% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.965, support = 3.71, residual support = 71.9:
      O T HB3   HIS  122 - HD2   HIS  122   2.88 +/- 0.04  99.141% * 99.1834% (0.97   3.71  71.94) =  99.997%  kept
          QE    LYS+ 121 - HD2   HIS  122   6.50 +/- 0.49   0.858% *  0.3801% (0.69   0.02  48.27) =   0.003%
          HB3   ASP-  78 - HD2   HIS  122  24.89 +/- 0.74   0.000% *  0.3133% (0.57   0.02   0.02) =   0.000%
          HG2   GLN   30 - HD2   HIS  122  21.32 +/- 0.66   0.001% *  0.1232% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.318, support = 0.0174, residual support = 0.0174:
          HB3   ASP- 105 - HD2   HIS  122   6.52 +/- 0.38  87.750% *  4.4223% (0.34   0.02   0.02) =  79.755%  kept
          QB    LYS+ 106 - HD2   HIS  122  10.87 +/- 0.34   4.104% *  8.3868% (0.65   0.02   0.02) =   7.075%  kept
          HB    ILE   56 - HD2   HIS  122  12.44 +/- 0.35   1.913% * 12.7077% (0.98   0.02   0.02) =   4.997%
          HB3   PRO   58 - HD2   HIS  122  11.61 +/- 0.45   3.028% *  7.8633% (0.61   0.02   0.02) =   4.894%
          HG3   PRO   68 - HD2   HIS  122  13.19 +/- 0.54   1.408% *  3.2327% (0.25   0.02   0.02) =   0.936%
          HB    ILE  103 - HD2   HIS  122  13.99 +/- 0.39   0.915% *  3.6046% (0.28   0.02   0.02) =   0.678%
          HB3   LYS+  38 - HD2   HIS  122  17.72 +/- 0.76   0.231% * 12.9357% (1.00   0.02   0.02) =   0.613%
          HB3   GLN   30 - HD2   HIS  122  19.02 +/- 0.49   0.147% * 11.9677% (0.92   0.02   0.02) =   0.362%
          HB2   MET   92 - HD2   HIS  122  19.31 +/- 0.61   0.136% * 10.3811% (0.80   0.02   0.02) =   0.291%
          QB    LYS+  33 - HD2   HIS  122  18.32 +/- 0.78   0.189% *  5.8124% (0.45   0.02   0.02) =   0.225%
          HG2   ARG+  54 - HD2   HIS  122  19.32 +/- 0.58   0.136% *  4.0014% (0.31   0.02   0.02) =   0.112%
          HB3   GLN   90 - HD2   HIS  122  25.95 +/- 0.66   0.023% *  6.8209% (0.53   0.02   0.02) =   0.032%
          QB    LYS+  81 - HD2   HIS  122  27.00 +/- 1.12   0.018% *  7.8633% (0.61   0.02   0.02) =   0.029%
    Distance limit 5.50 A violated in 19 structures by 0.97 A, eliminated.
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 5.61, residual support = 48.3:
          HB2   LYS+ 121 - HD2   HIS  122   3.68 +/- 0.38  96.270% * 97.8134% (0.92   5.61  48.27) =  99.992%  kept
          HB2   LEU  123 - HD2   HIS  122   6.57 +/- 0.29   3.487% *  0.1988% (0.53   0.02  38.54) =   0.007%
          QD    LYS+  65 - HD2   HIS  122  12.54 +/- 0.44   0.070% *  0.3575% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD2   HIS  122  15.69 +/- 0.97   0.021% *  0.2888% (0.76   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  12.58 +/- 0.26   0.071% *  0.0583% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  17.75 +/- 1.02   0.010% *  0.3771% (1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  16.53 +/- 0.39   0.014% *  0.2140% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  15.50 +/- 0.63   0.020% *  0.1418% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  14.63 +/- 0.61   0.027% *  0.1051% (0.28   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  18.22 +/- 0.88   0.008% *  0.0748% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  27.22 +/- 1.13   0.001% *  0.3704% (0.98   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.998, support = 4.72, residual support = 48.3:
          HB3   LYS+ 121 - HD2   HIS  122   3.60 +/- 0.39  88.896% * 97.9939% (1.00   4.72  48.27) =  99.979%  kept
          HD2   LYS+ 121 - HD2   HIS  122   5.78 +/- 0.75   9.717% *  0.1420% (0.34   0.02  48.27) =   0.016%
          QD    LYS+  66 - HD2   HIS  122   7.92 +/- 0.70   1.071% *  0.3024% (0.73   0.02   0.02) =   0.004%
          HG    LEU  104 - HD2   HIS  122  10.49 +/- 0.50   0.163% *  0.4155% (1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HD2   HIS  122  12.16 +/- 0.28   0.069% *  0.4018% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  12.35 +/- 0.59   0.066% *  0.1158% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  16.19 +/- 0.62   0.012% *  0.3939% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  20.82 +/- 1.65   0.003% *  0.1420% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  20.01 +/- 0.51   0.003% *  0.0927% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.223, support = 1.98, residual support = 7.27:
          QG2   ILE  119 - HD2   HIS  122   4.56 +/- 0.31  45.024% * 78.1889% (0.18   2.11   7.66) =  93.819%  kept
          QD1   LEU   67 - HD2   HIS  122   4.43 +/- 0.40  52.406% *  4.2294% (1.00   0.02   1.30) =   5.907%  kept
          QD2   LEU   40 - HD2   HIS  122   7.64 +/- 0.44   1.941% *  4.2388% (1.00   0.02   0.02) =   0.219%
          QG2   ILE  103 - HD2   HIS  122   9.83 +/- 0.32   0.412% *  4.0907% (0.97   0.02   0.02) =   0.045%
          QD1   ILE  103 - HD2   HIS  122  12.49 +/- 1.00   0.125% *  1.3083% (0.31   0.02   0.02) =   0.004%
          QD2   LEU   71 - HD2   HIS  122  13.34 +/- 0.50   0.065% *  1.7426% (0.41   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HD2   HIS  122  17.02 +/- 0.79   0.015% *  3.8015% (0.90   0.02   0.02) =   0.002%
        T HB    VAL   75 - HD2   HIS  122  18.10 +/- 0.53   0.010% *  2.3998% (0.57   0.02   0.02) =   0.001%
    Distance limit 5.50 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 = 0.487, support = 4.65, residual support = 38.5:
          QD1   LEU  123 - HD2   HIS  122   4.08 +/- 0.23  91.367% * 98.0225% (0.49   4.65  38.54) =  99.960%  kept
          QD2   LEU  123 - HD2   HIS  122   6.74 +/- 0.26   4.518% *  0.4213% (0.49   0.02  38.54) =   0.021%
          HB3   LEU  104 - HD2   HIS  122   8.37 +/- 0.45   1.366% *  0.7230% (0.84   0.02   0.02) =   0.011%
          QG1   VAL   70 - HD2   HIS  122   7.59 +/- 0.46   2.466% *  0.2407% (0.28   0.02   0.02) =   0.007%
          QG1   VAL   18 - HD2   HIS  122  11.84 +/- 1.31   0.215% *  0.1713% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   71 - HD2   HIS  122  13.83 +/- 0.78   0.068% *  0.4213% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.98, residual support = 2.77:
        T QG2   THR  118 - HD2   HIS  122   3.03 +/- 0.06 100.000% *100.0000% (0.69   0.98   2.77) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 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 = 0.938, support = 1.22, residual support = 36.5:
          HB3   LEU   73 - HE3   TRP   27   2.23 +/- 0.49  98.801% * 85.6717% (0.94   1.22  36.46) =  99.995%  kept
          HG3   LYS+  65 - HN    LEU   67   5.82 +/- 0.45   0.692% *  0.2262% (0.15   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HE3   TRP   27   6.61 +/- 0.41   0.232% *  0.4578% (0.31   0.02   0.02) =   0.001%
          HB    VAL   42 - HE3   TRP   27   8.93 +/- 0.44   0.054% *  1.4539% (0.97   0.02   0.02) =   0.001%
          QB    LEU   98 - HE3   TRP   27   9.79 +/- 0.70   0.037% *  0.8397% (0.56   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   67   7.95 +/- 0.31   0.095% *  0.2262% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HE3   TRP   27  11.87 +/- 0.65   0.010% *  1.4799% (0.99   0.02   0.02) =   0.000%
          HG    LEU   98 - HE3   TRP   27  10.21 +/- 1.40   0.033% *  0.2007% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - HE3   TRP   27  18.28 +/- 2.76   0.004% *  1.2389% (0.83   0.02   0.02) =   0.000%
          QB    ALA   84 - HE3   TRP   27  12.18 +/- 0.45   0.007% *  0.2935% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   80 - HE3   TRP   27  12.10 +/- 0.53   0.007% *  0.2598% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HE3   TRP   27  16.01 +/- 0.78   0.002% *  1.1335% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HE3   TRP   27  16.82 +/- 0.82   0.001% *  1.4539% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   67  13.70 +/- 0.66   0.005% *  0.2183% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - HE3   TRP   27  14.00 +/- 0.85   0.003% *  0.3302% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HE3   TRP   27  18.73 +/- 1.17   0.001% *  1.3692% (0.91   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  13.94 +/- 0.25   0.003% *  0.1307% (0.09   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  15.69 +/- 1.10   0.002% *  0.1928% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  16.80 +/- 1.39   0.001% *  0.2303% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   67  13.63 +/- 0.97   0.004% *  0.0642% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  13.89 +/- 0.37   0.003% *  0.0712% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  22.86 +/- 0.46   0.000% *  1.2866% (0.86   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  19.91 +/- 1.00   0.000% *  0.4124% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  17.49 +/- 0.48   0.001% *  0.1764% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  19.62 +/- 0.54   0.000% *  0.2002% (0.13   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  14.96 +/- 0.87   0.002% *  0.0312% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  20.79 +/- 0.75   0.000% *  0.2130% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  17.03 +/- 0.58   0.001% *  0.0514% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  22.83 +/- 0.24   0.000% *  0.0457% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  26.70 +/- 0.62   0.000% *  0.0404% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :    244
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    184
      with given assignment possibilities    :      0
      with unique volume contribution        :    161
      with multiple volume contributions     :     43
      eliminated by violation filter         :     27
 
    Peaks:
      selected                               :    244
      without assignment                     :     41
      with assignment                        :    203
      with unique assignment                 :    181
      with multiple assignment               :     22
      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             :    171
 
    Atoms with eliminated volume contribution > 2.5:
    HZ3   TRP   87       3.8
    HZ2   TRP   87       2.6
    HH2   TRP   87       2.9
    QD    PHE   97       3.0